168
energy=-1515.04451687 config_type=nep2xyz pbc="T T T" virial="-38.28929657170977 0.0 0.0 0.0 -43.4890864128803 0.006307464750971057 0.0 0.006307464750971057 -4.944758016406262" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97225 -0.003918 0.00312 -0.004254
C 1.47141 0.89094 19.98199 -0.004023 0.014824 0.000453
C 2.93782 0.89094 19.98345 -0.001312 0.000456 0.001896
C 3.67602 2.16424 19.97715 0.00134 0.013911 -0.00181
C 0.73321 4.71084 19.96924 -0.007775 0.004742 -0.006193
C 1.47141 3.43754 19.96175 -0.004887 -0.007243 -0.00935
C 2.93782 3.43754 19.96528 0.009074 0.003032 -0.008019
C 3.67602 4.71084 19.9744 -0.001902 -0.014785 -0.003792
C 0.73321 7.25743 19.98522 0.00525 -0.012879 0.002718
C 1.47141 5.98413 19.97667 -0.003894 -0.006769 -0.002512
C 2.93782 5.98413 19.97851 -0.004976 0.007447 -0.001207
C 3.67602 7.25743 19.98663 -0.009878 -0.014035 0.005207
C 0.73321 9.80403 19.98209 -0.018562 -0.00279 0.00079
C 1.47141 8.53073 19.98711 -0.007902 0.007005 0.004597
C 2.93782 8.53073 19.98805 0.005029 0.004764 0.006108
C 3.67602 9.80403 19.98486 0.008603 0.001016 0.003423
C 0.73321 12.35062 19.98133 -0.021308 0.001171 6.1e-05
C 1.47141 11.07732 19.98461 0.006477 -0.001643 0.002014
C 2.93782 11.07732 19.98605 -0.003837 0.001019 0.003563
C 3.67602 12.35062 19.98389 0.006511 -0.001018 0.002669
C 0.73321 14.89722 19.98701 -0.000413 0.00292 0.003916
C 1.47141 13.62392 19.98781 -0.00591 -0.00538 0.005054
C 2.93782 13.62392 19.98861 0.003734 -0.006636 0.006585
C 3.67602 14.89722 19.98833 -0.004772 0.007285 0.006268
C 5.14244 2.16424 19.98486 -0.008603 0.001016 0.003423
C 5.88064 0.89094 19.98805 -0.005029 0.004764 0.006108
C 7.34705 0.89094 19.98711 0.007902 0.007005 0.004597
C 8.08525 2.16424 19.98209 0.018562 -0.00279 0.00079
C 5.14244 4.71084 19.98389 -0.006511 -0.001018 0.002669
C 5.88064 3.43754 19.98605 0.003837 0.001019 0.003563
C 7.34705 3.43754 19.98461 -0.006477 -0.001643 0.002014
C 8.08525 4.71084 19.98133 0.021308 0.001171 6.1e-05
C 5.14244 7.25743 19.98833 0.004772 0.007285 0.006268
C 5.88064 5.98413 19.98861 -0.003734 -0.006636 0.006585
C 7.34705 5.98413 19.98781 0.00591 -0.00538 0.005054
C 8.08525 7.25743 19.98701 0.000413 0.00292 0.003916
C 5.14244 9.80403 19.97715 -0.00134 0.013911 -0.00181
C 5.88064 8.53073 19.98345 0.001312 0.000456 0.001896
C 7.34705 8.53073 19.98199 0.004023 0.014824 0.000453
C 8.08525 9.80403 19.97225 0.003918 0.00312 -0.004254
C 5.14244 12.35062 19.9744 0.001902 -0.014785 -0.003792
C 5.88064 11.07732 19.96528 -0.009074 0.003032 -0.008019
C 7.34705 11.07732 19.96175 0.004887 -0.007243 -0.00935
C 8.08525 12.35062 19.96924 0.007775 0.004742 -0.006193
C 5.14244 14.89722 19.98663 0.009878 -0.014035 0.005207
C 5.88064 13.62392 19.97851 0.004976 0.007447 -0.001207
C 7.34705 13.62392 19.97667 0.003894 -0.006769 -0.002512
C 8.08525 14.89722 19.98522 -0.00525 -0.012879 0.002718
C 0.02696 13.61749 28.13298 -0.00482 0.005614 0.00055
C 0.80874 12.51675 27.97524 0.010177 -0.005461 -0.000704
C 5.66612 12.52382 23.34095 0.026624 -0.010176 -0.000673
C 0.56931 11.35825 28.78142 -0.002827 -0.000107 0.004125
C 7.02331 12.08148 23.08906 -0.02038 -0.05067 -0.000221
C 1.42835 12.14211 26.65666 0.004957 0.004315 -0.002935
C 0.37126 10.66953 24.28522 0.023278 0.007578 0.000577
C 8.75569 13.82619 25.64577 -0.006992 0.013699 -0.006027
C 5.44323 13.62547 24.18054 0.005863 0.031004 -0.000415
C 7.84657 13.89834 24.51784 0.024766 0.017791 0.003496
C 5.66616 10.193 23.34083 0.013526 -0.000221 -0.00061
C 0.75185 12.7566 25.50463 0.003885 -0.015702 0.004904
C 8.09977 12.77254 23.6653 0.019739 0.010488 -0.00024
C 4.47168 13.82623 27.63371 0.002505 0.001841 -0.004231
C 3.65699 12.75663 27.77406 0.007184 -0.006497 -0.000436
C 8.09978 9.9442 23.66489 0.024321 -0.010719 6.8e-05
C 5.38086 13.89822 28.76191 -0.008716 -0.004646 0.001229
C 2.98051 12.14216 26.62175 -1.1e-05 0.001036 0.001092
C 7.02333 10.63534 23.08882 -0.013866 0.06169 -0.000238
C 0.37122 12.04711 24.28532 0.028783 -0.004888 -0.000766
C 8.48605 14.48526 26.95236 0.008859 0.005775 0.003188
C 7.03388 14.69445 27.1628 -0.010088 -0.00443 0.00328
C 4.38203 13.61751 25.14616 -0.002025 0.008709 -0.000426
C 5.44327 9.09137 24.18046 0.002581 -0.022973 -0.000776
C 4.74149 14.48522 26.32669 -0.008776 0.00462 0.001284
C 6.55677 14.31407 24.76925 -0.017045 0.013909 -0.001476
C 6.19367 14.69436 26.11616 0.008729 -0.005526 -0.002229
C 6.55678 8.40269 24.76918 -0.006168 -0.016835 -0.00147
C 8.3942 11.35823 29.77564 0.001618 0.000184 -0.001125
C 3.60012 12.51681 25.3032 -0.015145 -0.003615 -0.002825
C 4.43644 1.45934 25.14586 -0.004 -0.014001 -0.000671
C 5.21839 2.55997 25.303 0.019101 0.012294 -0.001211
C 1.25724 2.55303 29.93946 0.006635 -0.005611 0.000289
C 4.97894 3.71854 24.49603 0.009468 -0.004221 0.001503
C 2.61445 2.99539 30.19887 0.019548 -0.00387 -0.000736
C 5.83796 2.93458 26.62176 5.4e-05 -0.001193 -0.004439
C 4.78081 4.40723 28.99402 -0.001982 -0.001689 -0.000955
C 4.34677 1.25056 27.63358 -0.00293 -0.003316 -0.006105
C 1.0343 1.45137 29.09858 0.012741 -0.002707 -0.000566
C 3.43761 1.17847 28.76178 0.009121 0.004453 0.001989
C 1.25722 4.88384 29.93953 0.005603 0.005071 0.000412
C 5.16149 2.32009 27.77393 -0.00862 0.006513 0.003558
C 3.69087 2.30432 29.6158 0.006274 0.005881 -0.00124
C 0.06266 1.25049 25.64541 0.009018 -0.015313 -0.000533
C 8.06656 2.32013 25.50455 -0.005632 0.015482 -0.00012
C 3.69085 5.13257 29.61589 0.007018 -0.005068 -0.001058
C 0.97187 1.17854 24.51758 -0.016927 -0.023535 0.001028
C 7.3901 2.93457 26.65656 -0.004519 -0.004354 0.003221
C 2.61441 4.4415 30.19891 0.02001 0.004555 -0.000778
C 4.78085 3.02965 28.99402 -0.000891 0.00167 -0.002254
C 4.07696 0.59159 26.32652 0.009406 -0.005012 0.001732
C 2.62479 0.38246 26.11594 -0.01014 0.007419 -0.000858
C 8.79153 1.45927 28.13285 0.004855 -0.004857 0.002076
C 1.03428 5.98554 29.0987 0.011701 0.003398 -0.000426
C 0.3324 0.59149 26.95228 -0.007078 -0.003386 -0.001021
C 2.1478 0.76268 28.50965 -0.001378 0.003418 -0.0023
C 1.78459 0.38235 27.16263 0.00997 0.002971 0.002465
C 2.14778 6.6742 28.50983 -0.000694 -0.00326 -0.002234
C 3.98531 3.7186 23.50272 0.021008 -0.002066 -0.002034
C 8.00968 2.55995 27.97525 -0.010329 0.005011 -0.002889
C 4.38202 9.09912 25.14586 0.004 -0.014001 -0.000671
C 3.60007 10.19976 25.303 -0.019101 0.012294 -0.001211
C 7.56122 10.19281 29.93946 -0.006635 -0.005611 0.000289
C 3.83953 11.35832 24.49603 -0.009468 -0.004221 0.001503
C 6.20401 10.63518 30.19887 -0.019548 -0.00387 -0.000736
C 2.98051 10.57437 26.62176 -5.4e-05 -0.001193 -0.004439
C 4.03765 12.04702 28.99402 0.001982 -0.001689 -0.000955
C 4.47169 8.89034 27.63358 0.00293 -0.003316 -0.006105
C 7.78416 9.09115 29.09858 -0.012741 -0.002707 -0.000566
C 5.38085 8.81826 28.76178 -0.009121 0.004453 0.001989
C 7.56124 12.52363 29.93953 -0.005603 0.005071 0.000412
C 3.65697 9.95988 27.77393 0.00862 0.006513 0.003558
C 5.12759 9.94411 29.6158 -0.006274 0.005881 -0.00124
C 8.7558 8.89028 25.64541 -0.009018 -0.015313 -0.000533
C 0.7519 9.95992 25.50455 0.005632 0.015482 -0.00012
C 5.12761 12.77236 29.61589 -0.007018 -0.005068 -0.001058
C 7.84659 8.81833 24.51758 0.016927 -0.023535 0.001028
C 1.42836 10.57436 26.65656 0.004519 -0.004354 0.003221
C 6.20405 12.08129 30.19891 -0.02001 0.004555 -0.000778
C 4.03761 10.66944 28.99402 0.000891 0.00167 -0.002254
C 4.7415 8.23138 26.32652 -0.009406 -0.005012 0.001732
C 6.19367 8.02224 26.11594 0.01014 0.007419 -0.000858
C 0.02693 9.09905 28.13285 -0.004855 -0.004857 0.002076
C 7.78418 13.62533 29.0987 -0.011701 0.003398 -0.000426
C 8.48606 8.23128 26.95228 0.007078 -0.003386 -0.001021
C 6.67066 8.40247 28.50965 0.001378 0.003418 -0.0023
C 7.03387 8.02214 27.16263 -0.00997 0.002971 0.002465
C 6.67068 14.31399 28.50983 0.000694 -0.00326 -0.002234
C 4.83315 11.35839 23.50272 -0.021008 -0.002066 -0.002034
C 0.80878 10.19974 27.97525 0.010329 0.005011 -0.002889
C 8.7915 5.9777 28.13298 0.00482 0.005614 0.00055
C 8.00972 4.87696 27.97524 -0.010177 -0.005461 -0.000704
C 3.15234 4.88403 23.34095 -0.026624 -0.010176 -0.000673
C 8.24915 3.71846 28.78142 0.002827 -0.000107 0.004125
C 1.79515 4.4417 23.08906 0.02038 -0.05067 -0.000221
C 7.39011 4.50232 26.65666 -0.004957 0.004315 -0.002935
C 8.4472 3.02974 24.28522 -0.023278 0.007578 0.000577
C 0.06277 6.1864 25.64577 0.006992 0.013699 -0.006027
C 3.37523 5.98568 24.18054 -0.005863 0.031004 -0.000415
C 0.97189 6.25855 24.51784 -0.024766 0.017791 0.003496
C 3.1523 2.55321 23.34083 -0.013526 -0.000221 -0.00061
C 8.06661 5.11681 25.50463 -0.003885 -0.015702 0.004904
C 0.71869 5.13276 23.6653 -0.019739 0.010488 -0.00024
C 4.34678 6.18645 27.63371 -0.002505 0.001841 -0.004231
C 5.16147 5.11685 27.77406 -0.007184 -0.006497 -0.000436
C 0.71868 2.30441 23.66489 -0.024321 -0.010719 6.8e-05
C 3.4376 6.25844 28.76191 0.008716 -0.004646 0.001229
C 5.83795 4.50237 26.62175 1.1e-05 0.001036 0.001092
C 1.79513 2.99555 23.08882 0.013866 0.06169 -0.000238
C 8.44724 4.40733 24.28532 -0.028783 -0.004888 -0.000766
C 0.33242 6.84548 26.95236 -0.008859 0.005775 0.003188
C 1.78458 7.05466 27.1628 0.010088 -0.00443 0.00328
C 4.43643 5.97772 25.14616 0.002025 0.008709 -0.000426
C 3.37519 1.45158 24.18046 -0.002581 -0.022973 -0.000776
C 4.07697 6.84544 26.32669 0.008776 0.00462 0.001284
C 2.26169 6.67429 24.76925 0.017045 0.013909 -0.001476
C 2.62479 7.05457 26.11616 -0.008729 -0.005526 -0.002229
C 2.26168 0.76291 24.76918 0.006168 -0.016835 -0.00147
C 0.42426 3.71844 29.77564 -0.001618 0.000184 -0.001125
C 5.21834 4.87702 25.3032 0.015145 -0.003615 -0.002825
168
energy=-1515.04433794 config_type=nep2xyz pbc="T T T" virial="-38.274663253487525 0.0409564711163054 0.014675367987259325 0.0409564711163054 -43.50943849914343 0.00374242908557616 0.014675367987259325 0.00374242908557616 -4.934792222099729" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97556 -0.001242 0.009023 -0.001688
C 1.47141 0.89094 19.98438 -0.006827 0.012607 0.001704
C 2.93782 0.89094 19.98467 0.000727 0.000787 0.002325
C 3.67602 2.16424 19.97647 0.006572 0.013588 -0.001125
C 0.73321 4.71084 19.97063 -0.005862 -0.004114 -0.004189
C 1.47141 3.43754 19.96363 -0.014693 -0.006944 -0.006169
C 2.93782 3.43754 19.96399 0.010817 0.004316 -0.006075
C 3.67602 4.71084 19.97107 -0.001945 -0.011659 -0.003763
C 0.73321 7.25743 19.98473 0.007168 -0.015776 0.002086
C 1.47141 5.98413 19.97525 -0.001923 0.000403 -0.002199
C 2.93782 5.98413 19.97542 -0.004776 0.003522 -0.001772
C 3.67602 7.25743 19.98579 -0.010086 -0.012561 0.003778
C 0.73321 9.80403 19.98208 -0.014806 -0.008491 0.00078
C 1.47141 8.53073 19.98711 -0.010949 0.011109 0.003713
C 2.93782 8.53073 19.98863 0.003424 -0.001564 0.005092
C 3.67602 9.80403 19.98698 0.009992 0.003832 0.003899
C 0.73321 12.35062 19.97998 -0.0231 -0.001842 -0.000486
C 1.47141 11.07732 19.98493 0.001662 -0.000491 0.001746
C 2.93782 11.07732 19.98764 -0.002457 0.001064 0.003741
C 3.67602 12.35062 19.98509 0.008742 0.001847 0.002674
C 0.73321 14.89722 19.9877 0.000246 0.00151 0.003238
C 1.47141 13.62392 19.98809 -0.004727 -0.003073 0.003782
C 2.93782 13.62392 19.98954 0.002041 -0.008334 0.005352
C 3.67602 14.89722 19.98898 -0.00321 0.006982 0.00521
C 5.14244 2.16424 19.98421 -0.008847 -0.001727 0.002348
C 5.88064 0.89094 19.98771 -0.006488 0.007209 0.004176
C 7.34705 0.89094 19.98746 0.005033 0.001021 0.003627
C 8.08525 2.16424 19.98421 0.01873 0.001451 0.001846
C 5.14244 4.71084 19.98226 -0.007652 -0.005498 0.001319
C 5.88064 3.43754 19.9854 0.00561 0.003213 0.002557
C 7.34705 3.43754 19.98574 -0.010964 -0.001693 0.002511
C 8.08525 4.71084 19.98295 0.018926 0.002467 0.001052
C 5.14244 7.25743 19.98883 0.001648 0.002675 0.005234
C 5.88064 5.98413 19.98856 -0.002222 -0.004784 0.004961
C 7.34705 5.98413 19.9887 0.002628 -0.006911 0.00448
C 8.08525 7.25743 19.98774 0.003747 0.001802 0.003577
C 5.14244 9.80403 19.97961 0.002644 0.009207 1.4e-05
C 5.88064 8.53073 19.98534 -0.002524 0.005956 0.00262
C 7.34705 8.53073 19.98322 0.004681 0.014725 0.001201
C 8.08525 9.80403 19.97215 0.001581 0.006176 -0.00299
C 5.14244 12.35062 19.97433 0.002223 -0.012847 -0.002815
C 5.88064 11.07732 19.96647 -0.004309 0.006187 -0.005585
C 7.34705 11.07732 19.96049 0.000729 -0.01405 -0.007396
C 8.08525 12.35062 19.96545 0.009755 0.013956 -0.005862
C 5.14244 14.89722 19.98577 0.012115 -0.016951 0.003481
C 5.88064 13.62392 19.97608 0.003301 0.011997 -0.001825
C 7.34705 13.62392 19.97259 0.009085 -0.003271 -0.00329
C 8.08525 14.89722 19.98409 -0.008844 -0.017014 0.001449
C 0.26452 13.85505 28.13295 -0.005344 0.006579 -0.000146
C 1.0463 12.75431 27.97518 0.010412 -0.006615 0.00017
C 5.90368 12.76138 23.34099 0.023101 -0.012757 -0.000541
C 0.80687 11.59581 28.78142 -0.00187 0.00052 0.001311
C 7.26087 12.31904 23.0883 -0.023368 -0.045397 -0.000339
C 1.66591 12.37967 26.65657 0.004147 0.004541 -0.001451
C 0.60882 10.90709 24.28504 0.021914 0.005251 0.000467
C 0.17479 14.06375 25.64557 -0.009312 0.015612 -0.00146
C 5.68079 13.86303 24.18054 0.009069 0.028605 -0.00092
C 8.08413 14.1359 24.51774 0.022433 0.011089 0.000515
C 5.90372 10.43056 23.3414 0.008718 -0.001479 -0.000466
C 0.98941 12.99416 25.50449 0.002526 -0.018502 0.001749
C 8.33733 13.01011 23.66491 0.03072 0.014956 -6.9e-05
C 4.70924 14.06379 27.6337 0.002757 0.000865 -0.000983
C 3.89456 12.99419 27.77417 0.005963 -0.005882 -0.00097
C 8.33734 10.18176 23.66467 0.030847 -0.009395 6.5e-05
C 5.61842 14.13578 28.76194 -0.009541 -0.003886 -0.000267
C 3.21807 12.37972 26.62187 -0.000856 0.000445 0.000387
C 7.26089 10.8729 23.08845 -0.015754 0.052047 -0.000311
C 0.60878 12.28467 24.28505 0.028881 0.000522 -0.000371
C 8.72361 14.72282 26.9523 0.00916 0.006199 0.000903
C 7.27145 14.93201 27.16274 -0.010323 -0.004502 0.002784
C 4.61959 13.85507 25.14623 -0.005897 0.00734 -3.8e-05
C 5.68083 9.32893 24.1807 0.002898 -0.017589 -0.001009
C 4.97905 14.72278 26.32673 -0.007543 0.005037 -0.000718
C 6.79433 14.55163 24.76914 -0.01686 0.015998 0.000437
C 6.43123 14.93192 26.11612 0.008502 -0.005673 -0.003358
C 6.79434 8.64025 24.76934 0.001059 -0.019648 0.000626
C 8.63176 11.59579 29.77559 0.001294 0.000566 -0.000268
C 3.83769 12.75437 25.30338 -0.013035 0.000921 -0.001706
C 4.674 1.6969 25.14577 -0.008027 -0.0175 -0.00276
C 5.45595 2.79753 25.30287 0.021109 0.016829 0.001688
C 1.4948 2.79059 29.93938 0.006392 -0.006076 8.4e-05
C 5.2165 3.9561 24.49621 0.010497 -0.005432 -0.003461
C 2.85201 3.23295 30.19878 0.019203 -0.00437 -0.00064
C 6.07552 3.17214 26.62167 0.000553 -0.00226 -0.003245
C 5.01837 4.64479 28.994 -0.001121 -0.001776 -0.000954
C 4.58433 1.48812 27.63345 -0.003341 -0.002251 -0.003838
C 1.27186 1.68893 29.0985 0.012157 -0.00208 -0.000831
C 3.67517 1.41603 28.7617 0.009352 0.003421 0.000519
C 1.49478 5.1214 29.93951 0.005634 0.004914 3.4e-05
C 5.39905 2.55765 27.77388 -0.007076 0.006235 0.001272
C 3.92843 2.54189 29.61569 0.005856 0.005253 -0.000805
C 0.30022 1.48805 25.64521 0.009531 -0.01523 0.002058
C 8.30412 2.55769 25.50427 -0.005094 0.016316 -0.001935
C 3.92841 5.37013 29.61587 0.008522 -0.005925 -0.000799
C 1.20943 1.4161 24.51752 -0.011868 -0.0223 -0.000656
C 7.62766 3.17213 26.65638 -0.004003 -0.004918 0.002828
C 2.85197 4.67906 30.19887 0.019774 0.003697 -0.000568
C 5.01841 3.26721 28.9939 -0.001569 0.001619 -0.001328
C 4.31452 0.82915 26.32644 0.008974 -0.005295 0.002911
C 2.86235 0.62002 26.11597 -0.008462 0.008604 -0.007788
C 0.21063 1.69683 28.13276 0.005265 -0.004902 0.001432
C 1.27184 6.2231 29.0987 0.011345 0.003719 -5.6e-05
C 0.56996 0.82905 26.95222 -0.006352 -0.002772 -0.003072
C 2.38536 1.00024 28.50958 -0.002818 0.003953 -0.002249
C 2.02215 0.61991 27.16256 0.006597 0.00269 0.007073
C 2.38534 6.91176 28.50987 -0.000418 -0.003002 -0.000884
C 4.22287 3.95616 23.50263 0.0211 -0.002329 0.000213
C 8.24724 2.79751 27.97511 -0.010472 0.005598 -0.00202
C 4.61958 9.33668 25.14607 0.002108 -0.01557 9e-06
C 3.83763 10.43732 25.30317 -0.018038 0.00997 -0.001043
C 7.79878 10.43037 29.93948 -0.006652 -0.005647 0.0001
C 4.07709 11.59588 24.4963 -0.011039 -0.004405 0.000381
C 6.44158 10.87274 30.19886 -0.017956 -0.002035 -0.000486
C 3.21807 10.81193 26.62182 -0.000707 -0.001783 -0.001719
C 4.27521 12.28458 28.99409 0.001215 -0.001372 -0.000637
C 4.70925 9.1279 27.63361 0.002995 -0.001896 -0.001608
C 8.02172 9.32872 29.09862 -0.012329 -0.002436 -0.000251
C 5.61841 9.05582 28.76189 -0.009779 0.003265 5.8e-05
C 7.7988 12.76119 29.93949 -0.005731 0.006216 5.5e-05
C 3.89453 10.19744 27.77407 0.007643 0.005645 0.000425
C 5.36515 10.18167 29.61586 -0.006315 0.004725 -0.000707
C 0.1749 9.12784 25.64535 -0.010163 -0.016366 0.001224
C 0.98946 10.19748 25.50442 0.005768 0.01808 -0.000936
C 5.36517 13.00992 29.6159 -0.005442 -0.005234 -0.000787
C 8.08415 9.05589 24.51767 0.011896 -0.02372 -0.000451
C 1.66592 10.81192 26.6565 0.004808 -0.004863 0.001794
C 6.44161 12.31885 30.19887 -0.019497 0.004792 -0.000519
C 4.27517 10.907 28.99407 0.001049 0.001343 -0.000979
C 4.97906 8.46894 26.32669 -0.009079 -0.005719 -0.000225
C 6.43123 8.2598 26.11612 0.008501 0.008266 -0.00323
C 0.26449 9.33661 28.13288 -0.00444 -0.004495 0.000871
C 8.02174 13.86289 29.09865 -0.012063 0.003157 -0.000106
C 8.72362 8.46884 26.95231 0.007373 -0.002862 -0.001526
C 6.90822 8.64003 28.50973 0.001083 0.003763 -0.001216
C 7.27143 8.2597 27.16275 -0.008289 0.002658 0.003152
C 6.90824 14.55155 28.50977 0.000596 -0.004073 -0.001248
C 5.07071 11.59595 23.50328 -0.014542 -0.003492 -0.001224
C 1.04634 10.4373 27.97519 0.009509 0.005736 -0.001069
C 0.2106 6.21526 28.13297 0.004041 0.005724 5e-05
C 8.24728 5.11452 27.97515 -0.009728 -0.005027 -0.000286
C 3.3899 5.12159 23.34168 -0.033936 -0.017742 -0.000908
C 8.48671 3.95602 28.78135 0.001983 -0.000278 0.00187
C 2.03271 4.67926 23.08885 0.024394 -0.049404 -0.00028
C 7.62767 4.73988 26.65654 -0.004797 0.004941 -0.001491
C 8.68476 3.2673 24.28471 -0.019809 -0.000821 0.000647
C 0.30033 6.42396 25.64572 0.007447 0.014386 -0.002739
C 3.61279 6.22324 24.18065 -0.000494 0.030145 0.000879
C 1.20945 6.49611 24.51798 -0.021817 0.019071 0.001596
C 3.38986 2.79077 23.34102 -0.009285 0.003193 -0.001124
C 8.30417 5.35437 25.5045 -0.003766 -0.017322 0.002275
C 0.95625 5.37032 23.66516 -0.02082 0.005845 -0.000151
C 4.58434 6.42401 27.63371 -0.001659 0.001546 -0.002905
C 5.39903 5.35441 27.77405 -0.006597 -0.005788 0.00036
C 0.95624 2.54197 23.66439 -0.032111 -0.014298 -0.000184
C 3.67516 6.496 28.76192 0.009139 -0.004451 0.000453
C 6.07551 4.73993 26.62177 0.000524 0.000119 -0.001233
C 2.03269 3.23311 23.08811 0.013377 0.071844 -0.00036
C 8.6848 4.64489 24.28493 -0.030906 0.00452 -0.00046
C 0.56998 7.08304 26.95238 -0.00849 0.005885 0.001745
C 2.02214 7.29222 27.16288 0.009691 -0.005047 -1.1e-05
C 4.67399 6.21528 25.14632 0.005007 0.009633 -0.002423
C 3.61275 1.68914 24.18039 0.00326 -0.020001 0.000489
C 4.31453 7.083 26.32677 0.008911 0.005841 0.001563
C 2.49925 6.91185 24.76936 0.009033 0.012415 -0.001536
C 2.86235 7.29213 26.11621 -0.00852 -0.004129 7.3e-05
C 2.49924 1.00047 24.76917 -0.001299 -0.017933 0.000786
C 0.66182 3.956 29.77555 -0.001315 -0.0001 -0.000538
C 5.4559 5.11458 25.3032 0.014745 -0.003653 0.001151
168
energy=-1515.04502005 config_type=nep2xyz pbc="T T T" virial="-38.25969353714522 0.10058303789548512 0.02438886370375475 0.10058303789548512 -43.54202706702345 0.008367903236288268 0.02438886370375475 0.008367903236288268 -4.9627973655940405" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97929 0.00267 0.010394 0.000266
C 1.47141 0.89094 19.9862 -0.011949 0.007841 0.002887
C 2.93782 0.89094 19.98559 0.003708 0.00175 0.002968
C 3.67602 2.16424 19.97651 0.007879 0.011988 -0.000911
C 0.73321 4.71084 19.97344 -0.000364 -0.010141 -0.002839
C 1.47141 3.43754 19.96721 -0.017507 -0.002855 -0.004622
C 2.93782 3.43754 19.96452 0.00918 0.00253 -0.005663
C 3.67602 4.71084 19.96827 -0.000327 -0.004031 -0.004541
C 0.73321 7.25743 19.98436 0.009064 -0.018355 0.002482
C 1.47141 5.98413 19.97465 -0.001302 0.0072 -0.002125
C 2.93782 5.98413 19.97266 -0.00209 -0.004947 -0.00257
C 3.67602 7.25743 19.98425 -0.008061 -0.009606 0.00301
C 0.73321 9.80403 19.98267 -0.009324 -0.014658 0.001036
C 1.47141 8.53073 19.98701 -0.01441 0.014965 0.003908
C 2.93782 8.53073 19.98849 0.002767 -0.007133 0.005155
C 3.67602 9.80403 19.98809 0.007719 0.007899 0.004515
C 0.73321 12.35062 19.97859 -0.021079 -0.004926 -0.001152
C 1.47141 11.07732 19.98509 -0.002275 0.002953 0.001758
C 2.93782 11.07732 19.98833 -0.001473 -0.000549 0.004067
C 3.67602 12.35062 19.98542 0.011668 0.004899 0.002683
C 0.73321 14.89722 19.98768 0.002826 0.001783 0.003273
C 1.47141 13.62392 19.98758 -0.004092 -0.00046 0.003454
C 2.93782 13.62392 19.98947 0.00021 -0.010161 0.005111
C 3.67602 14.89722 19.98886 -0.002475 0.006444 0.005075
C 5.14244 2.16424 19.98368 -0.008352 -0.004918 0.002102
C 5.88064 0.89094 19.98707 -0.008459 0.009716 0.003636
C 7.34705 0.89094 19.98742 0.002394 -0.00574 0.003658
C 8.08525 2.16424 19.9862 0.01718 0.0064 0.003266
C 5.14244 4.71084 19.98047 -0.012311 -0.008924 0.000494
C 5.88064 3.43754 19.98463 0.00719 0.003934 0.002478
C 7.34705 3.43754 19.9868 -0.013063 -0.001373 0.003549
C 8.08525 4.71084 19.98472 0.012829 0.005066 0.002291
C 5.14244 7.25743 19.98828 -0.000225 -0.003469 0.00474
C 5.88064 5.98413 19.98762 -0.000319 0.000623 0.004512
C 7.34705 5.98413 19.98899 -0.00109 -0.010584 0.004997
C 8.08525 7.25743 19.98814 0.006847 0.001873 0.00425
C 5.14244 9.80403 19.98149 0.007842 0.004671 0.000762
C 5.88064 8.53073 19.98648 -0.006213 0.009867 0.003278
C 7.34705 8.53073 19.98444 0.004079 0.011645 0.002027
C 8.08525 9.80403 19.97345 -0.001879 0.013196 -0.002586
C 5.14244 12.35062 19.9742 -0.002112 -0.009533 -0.003241
C 5.88064 11.07732 19.96812 -0.000453 0.0058 -0.005465
C 7.34705 11.07732 19.9608 0.001288 -0.019837 -0.007691
C 8.08525 12.35062 19.96278 0.011413 0.017524 -0.006952
C 5.14244 14.89722 19.9846 0.01492 -0.019867 0.002383
C 5.88064 13.62392 19.97388 0.000445 0.016063 -0.003243
C 7.34705 13.62392 19.96902 0.011968 0.002178 -0.004827
C 8.08525 14.89722 19.98258 -0.011346 -0.018879 0.000746
C 0.50208 14.09261 28.13279 -0.005195 0.006023 3.7e-05
C 1.28386 12.99187 27.97498 0.008616 -0.006062 1.6e-05
C 6.14124 12.99894 23.34151 0.01808 -0.017523 -0.000486
C 1.04443 11.83337 28.78126 -0.002074 0.00131 0.001278
C 7.49843 12.5566 23.08805 -0.028331 -0.050036 -0.000411
C 1.90347 12.61723 26.65635 0.002698 0.005057 -0.001368
C 0.84638 11.14465 24.28475 0.026676 0.00245 0.000705
C 0.41235 14.30131 25.64525 -0.012642 0.018136 -0.000395
C 5.91835 14.10059 24.1807 0.005807 0.027412 -0.001097
C 8.32169 14.37346 24.51758 0.017104 0.012206 -0.000175
C 6.14128 10.66812 23.34245 0.012404 0.005176 -0.000287
C 1.22698 13.23172 25.5041 0.003681 -0.02214 0.001004
C 8.57489 13.24767 23.66425 0.042423 0.022359 -3.1e-05
C 4.9468 14.30135 27.63379 0.002643 0.001727 0.000211
C 4.13212 13.23175 27.77433 0.004835 -0.006344 -0.001611
C 8.5749 10.41932 23.66436 0.037112 -0.010015 0.000241
C 5.85598 14.37334 28.76203 -0.008098 -0.003009 -0.00078
C 3.45563 12.61728 26.62201 -0.001899 0.001681 0.001171
C 7.49845 11.11046 23.08866 -0.024382 0.048004 -0.000287
C 0.84634 12.52223 24.28463 0.028881 0.002606 -0.000231
C 0.14271 14.96038 26.95215 0.008683 0.005139 0.000179
C 7.50901 15.16957 27.16275 -0.008874 -0.003361 0.00178
C 4.85715 14.09263 25.14638 -0.007809 0.007495 0.000292
C 5.9184 9.56649 24.18108 -0.000715 -0.018115 -0.000992
C 5.21661 14.96034 26.32683 -0.007837 0.005054 -0.001557
C 7.03189 14.78919 24.76917 -0.009056 0.019228 0.000514
C 6.66879 15.16948 26.11613 0.009498 -0.006817 -0.00249
C 7.03191 8.87781 24.76954 0.008117 -0.021398 -0.000395
C 0.05086 11.83335 29.77548 0.001577 0.000931 -0.000237
C 4.07525 12.99193 25.30362 -0.011381 0.003553 -0.001663
C 4.91156 1.93446 25.14574 -0.008039 -0.01968 -0.003637
C 5.69352 3.03509 25.30284 0.02038 0.018929 0.002733
C 1.73237 3.02815 29.93929 0.004507 -0.005908 -6.5e-05
C 5.45406 4.19366 24.49634 0.014657 -0.004416 -0.004871
C 3.08957 3.47051 30.19879 0.019368 -0.004825 -0.000786
C 6.31308 3.4097 26.62165 0.001632 -0.002601 -0.004178
C 5.25593 4.88236 28.99403 -0.001289 -0.001441 -0.000955
C 4.82189 1.72568 27.63343 -0.003792 -0.001843 -0.003887
C 1.50942 1.92649 29.09842 0.01078 -0.002208 -0.001198
C 3.91273 1.65359 28.76168 0.009071 0.002815 0.000177
C 1.73234 5.35896 29.93948 0.004923 0.005188 -6.5e-05
C 5.63661 2.79521 27.77387 -0.005966 0.006633 0.001526
C 4.16599 2.77945 29.61571 0.004772 0.005421 -0.000872
C 0.53778 1.72561 25.64496 0.010252 -0.015061 0.002396
C 8.54168 2.79525 25.50393 -0.003746 0.016909 -0.002787
C 4.16597 5.60769 29.6159 0.008217 -0.006372 -0.000792
C 1.44699 1.65366 24.51734 -0.007945 -0.016514 -0.001048
C 7.86522 3.40969 26.65612 -0.003483 -0.005687 0.003332
C 3.08953 4.91662 30.1989 0.019753 0.004467 -0.000636
C 5.25597 3.50478 28.99391 -0.001547 0.000884 -0.001453
C 4.55208 1.06671 26.32644 0.008289 -0.004894 0.003151
C 3.09991 0.85758 26.11594 -0.007556 0.008369 -0.007265
C 0.44819 1.93439 28.13259 0.005146 -0.004224 0.001377
C 1.5094 6.46066 29.09868 0.010165 0.002908 -0.000333
C 0.80753 1.06661 26.95206 -0.006938 -0.002764 -0.003447
C 2.62293 1.2378 28.50956 -0.003297 0.003807 -0.002004
C 2.25971 0.85748 27.16252 0.005412 0.002606 0.006206
C 2.6229 7.14932 28.50989 -0.000492 -0.002605 -0.000558
C 4.46043 4.19372 23.50256 0.015355 -0.000694 0.000615
C 8.4848 3.03507 27.97491 -0.009561 0.004949 -0.00247
C 4.85714 9.57424 25.14649 -0.004709 -0.013726 0.000144
C 4.07519 10.67488 25.30355 -0.012665 0.003878 -0.000413
C 8.03634 10.66793 29.93946 -0.005261 -0.005509 7.2e-05
C 4.31465 11.83344 24.49681 -0.017129 -0.003883 0.000136
C 6.67914 11.1103 30.19899 -0.015681 -0.001351 -0.000307
C 3.45563 11.04949 26.62206 -0.000977 -0.001693 -0.002568
C 4.51277 12.52214 28.99422 0.000757 -0.002192 -0.000331
C 4.94681 9.36546 27.63384 0.002939 -0.003454 -0.00101
C 8.25928 9.56628 29.09862 -0.010628 -0.001846 -9.6e-05
C 5.85597 9.29338 28.76207 -0.009354 0.003691 5e-05
C 8.03636 12.99875 29.93941 -0.005531 0.005324 1e-06
C 4.13209 10.435 27.7743 0.005825 0.005649 0.001176
C 5.60271 10.41923 29.61605 -0.006761 0.004321 -0.000589
C 0.41246 9.3654 25.64524 -0.013374 -0.018391 0.001761
C 1.22702 10.43504 25.50418 0.006664 0.022139 -0.001737
C 5.60274 13.24748 29.61598 -0.005325 -0.004318 -0.000588
C 8.32171 9.29345 24.51776 0.008378 -0.026352 -0.000685
C 1.90348 11.04948 26.65634 0.003117 -0.004975 0.00275
C 6.67917 12.55641 30.19894 -0.018221 0.004472 -0.000483
C 4.51273 11.14456 28.99429 0.000418 0.000839 -0.001059
C 5.21662 8.7065 26.32695 -0.008081 -0.005783 -0.00119
C 6.66879 8.49736 26.11624 0.009546 0.007136 0.002471
C 0.50205 9.57417 28.13284 -0.003874 -0.00395 0.000955
C 8.2593 14.10045 29.09856 -0.010816 0.002796 -0.000314
C 0.14272 8.7064 26.95229 0.005967 -0.002432 -0.000885
C 7.14578 8.87759 28.50982 0.000782 0.004362 0.000376
C 7.509 8.49726 27.16294 -0.007796 0.001772 -0.002428
C 7.1458 14.78911 28.50972 0.00022 -0.004235 -0.000784
C 5.30827 11.83351 23.50409 -0.005045 -0.004205 -0.00099
C 1.2839 10.67486 27.97505 0.008461 0.005205 -0.001358
C 0.44816 6.45283 28.13291 0.004676 0.005561 7.3e-05
C 8.48484 5.35208 27.97502 -0.008833 -0.004905 -0.000464
C 3.62746 5.35915 23.34213 -0.03252 -0.018835 -0.001098
C 8.72427 4.19358 28.7812 0.002411 -0.001273 0.001722
C 2.27027 4.91682 23.08804 0.025594 -0.042867 -0.000392
C 7.86523 4.97744 26.65636 -0.004542 0.004618 -0.001764
C 0.10386 3.50487 24.28411 -0.018041 -0.010632 0.000653
C 0.53789 6.66152 25.64566 0.006296 0.012645 -0.002444
C 3.85035 6.4608 24.18075 0.001627 0.02245 0.001133
C 1.44701 6.73367 24.518 -0.015154 0.018463 0.001289
C 3.62742 3.02833 23.34103 -0.006615 0.006672 -0.001413
C 8.54173 5.59194 25.50427 -0.002418 -0.016969 0.002034
C 1.19381 5.60788 23.66485 -0.023427 0.002084 -0.00029
C 4.8219 6.66157 27.63373 -0.001627 -0.000512 -0.00262
C 5.63659 5.59197 27.77409 -0.006081 -0.005693 9.2e-05
C 1.1938 2.77953 23.66388 -0.038135 -0.015463 -0.00035
C 3.91272 6.73356 28.76193 0.007915 -0.003963 0.000208
C 6.31307 4.97749 26.62178 0.00108 7.8e-05 -0.001319
C 2.27025 3.47067 23.08693 0.013849 0.069836 -0.000509
C 0.1039 4.88245 24.28444 -0.029021 0.012558 -0.000641
C 0.80754 7.3206 26.95237 -0.008074 0.005909 0.001373
C 2.2597 7.52978 27.16292 0.007928 -0.004239 -0.00057
C 4.91155 6.45284 25.14639 0.005758 0.013812 -0.00291
C 3.85031 1.9267 24.18033 0.003983 -0.015404 0.000905
C 4.55209 7.32056 26.32684 0.008472 0.006192 0.001567
C 2.73681 7.14941 24.76947 0.000995 0.012796 -0.001617
C 3.09991 7.5297 26.11628 -0.006423 -0.003607 0.000205
C 2.7368 1.23803 24.76912 -0.006347 -0.018619 0.000404
C 0.89938 4.19356 29.77543 -0.002142 0.000151 -0.000723
C 5.69346 5.35214 25.3032 0.013862 -0.005261 0.001857
168
energy=-1515.04627717 config_type=nep2xyz pbc="T T T" virial="-38.22142825098933 0.09742930551999958 0.03700379320569687 0.09742930551999958 -43.53891538441297 0.008031505116236478 0.03700379320569687 0.008031505116236478 -4.972679060370561" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98231 0.006441 0.011247 0.002071
C 1.47141 0.89094 19.98702 -0.014848 0.000904 0.004381
C 2.93782 0.89094 19.98616 0.005135 0.004896 0.004037
C 3.67602 2.16424 19.9774 0.003829 0.010384 -0.000789
C 0.73321 4.71084 19.9765 0.005437 -0.008765 -0.002248
C 1.47141 3.43754 19.97111 -0.012142 -0.001588 -0.004075
C 2.93782 3.43754 19.96614 0.005748 -0.000269 -0.006557
C 3.67602 4.71084 19.96614 0.005344 0.00183 -0.006578
C 0.73321 7.25743 19.98415 0.010484 -0.019226 0.00317
C 1.47141 5.98413 19.97458 -0.002152 0.010235 -0.002613
C 2.93782 5.98413 19.97046 0.000935 -0.008495 -0.004363
C 3.67602 7.25743 19.98219 -0.005141 -0.008562 0.0021
C 0.73321 9.80403 19.98357 -0.003896 -0.015382 0.001564
C 1.47141 8.53073 19.98686 -0.015741 0.015104 0.004691
C 2.93782 8.53073 19.98777 0.002461 -0.009043 0.005561
C 3.67602 9.80403 19.98823 0.002477 0.009182 0.005584
C 0.73321 12.35062 19.97692 -0.014164 -0.004601 -0.002488
C 1.47141 11.07732 19.98473 -0.004942 0.006218 0.00173
C 2.93782 11.07732 19.98809 -0.001447 -0.001651 0.00485
C 3.67602 12.35062 19.98516 0.015458 0.004919 0.00294
C 0.73321 14.89722 19.98673 0.004012 0.003927 0.003433
C 1.47141 13.62392 19.98617 -0.004434 -0.001361 0.003098
C 2.93782 13.62392 19.9886 -0.001903 -0.00804 0.005691
C 3.67602 14.89722 19.98834 -0.002571 0.002883 0.005499
C 5.14244 2.16424 19.98366 -0.006156 -0.003952 0.00231
C 5.88064 0.89094 19.98662 -0.009349 0.009019 0.003866
C 7.34705 0.89094 19.98705 0.000693 -0.00947 0.004196
C 8.08525 2.16424 19.98747 0.013376 0.008479 0.005251
C 5.14244 4.71084 19.97869 -0.019333 -0.007239 -0.000639
C 5.88064 3.43754 19.98394 0.007017 0.000733 0.002725
C 7.34705 3.43754 19.98741 -0.012819 0.00033 0.00518
C 8.08525 4.71084 19.986 0.006528 0.005091 0.003861
C 5.14244 7.25743 19.98679 -0.001245 -0.007144 0.004594
C 5.88064 5.98413 19.98592 0.001413 0.005551 0.004404
C 7.34705 5.98413 19.98857 -0.005586 -0.010818 0.006348
C 8.08525 7.25743 19.98813 0.008375 0.00032 0.00569
C 5.14244 9.80403 19.98274 0.012411 0.005731 0.001359
C 5.88064 8.53073 19.98681 -0.007664 0.00813 0.004012
C 7.34705 8.53073 19.98544 0.002546 0.009575 0.003205
C 8.08525 9.80403 19.9757 -0.004424 0.018257 -0.002533
C 5.14244 12.35062 19.97464 -0.008636 -0.005265 -0.004276
C 5.88064 11.07732 19.97025 0.0003 0.000462 -0.006231
C 7.34705 11.07732 19.96254 0.002934 -0.020951 -0.009086
C 8.08525 12.35062 19.96146 0.012058 0.012672 -0.009341
C 5.14244 14.89722 19.98383 0.016385 -0.019548 0.002041
C 5.88064 13.62392 19.97284 -0.001367 0.015733 -0.004898
C 7.34705 13.62392 19.96674 0.009484 0.008831 -0.007188
C 8.08525 14.89722 19.98087 -0.010553 -0.018888 -4e-05
C 0.73964 14.33017 28.13266 -0.003795 0.004274 -0.000432
C 1.52142 13.22943 27.97478 0.007197 -0.005798 0.000592
C 6.3788 13.2365 23.34235 0.016116 -0.022591 -0.000748
C 1.28199 12.07093 28.7811 -0.000955 0.000965 -0.00102
C 7.73599 12.79416 23.08866 -0.033599 -0.057613 -0.000346
C 2.14103 12.85479 26.6561 0.001731 0.005219 0.001139
C 1.08394 11.38221 24.28449 0.032065 0.004221 -0.000441
C 0.64991 14.53887 25.64508 -0.015698 0.020011 -0.000845
C 6.15591 14.33815 24.18096 -0.000478 0.029692 -7.6e-05
C 8.55925 14.61102 24.51759 0.011138 0.020446 0.000571
C 6.37884 10.90568 23.34321 0.017348 0.017094 -0.000527
C 1.46454 13.46928 25.50382 0.006697 -0.02537 0.000156
C 8.81245 13.48523 23.66387 0.047307 0.026787 -0.000129
C 5.18436 14.53891 27.63391 0.002086 0.002035 -0.00294
C 4.36968 13.46931 27.77439 0.004028 -0.006384 0.001132
C 8.81246 10.65688 23.66408 0.041804 -0.015355 7e-06
C 6.09354 14.6109 28.76209 -0.00734 -0.003455 0.000297
C 3.69319 12.85484 26.62215 -0.002864 0.002279 -0.002654
C 7.73601 11.34802 23.08926 -0.034754 0.052419 -0.000224
C 1.0839 12.75979 24.28437 0.032815 -0.000613 0.000278
C 0.38027 15.19794 26.95208 0.007075 0.004096 0.000175
C 7.74657 0.12756 27.16278 -0.006716 -0.00294 0.004447
C 5.09471 14.33019 25.14658 -0.009794 0.007884 -0.001524
C 6.15596 9.80405 24.18129 -0.003712 -0.025242 1.1e-05
C 5.45417 15.1979 26.32692 -0.007375 0.00547 0.001963
C 7.26945 15.02676 24.76932 0.000501 0.022511 0.000438
C 6.90635 0.12747 26.11622 0.008892 -0.006935 -0.005095
C 7.26947 9.11537 24.7696 0.011234 -0.023075 -0.000794
C 0.28843 12.07091 29.77529 0.000704 0.001149 0.000652
C 4.31281 13.22949 25.30377 -0.011232 0.003692 0.000303
C 5.14912 2.17202 25.14579 -0.005603 -0.020609 0.000646
C 5.93108 3.27265 25.30301 0.015742 0.018417 -0.003387
C 1.96993 3.26571 29.93927 0.005019 -0.005784 -0.000397
C 5.69162 4.43122 24.49636 0.021689 -0.002249 0.001068
C 3.32713 3.70807 30.19881 0.01745 -0.005434 -0.000937
C 6.55064 3.64726 26.62165 0.000965 -0.002775 0.002055
C 5.49349 5.11992 28.99414 -0.000516 -0.00102 -0.001063
C 5.05945 1.96324 27.63347 -0.00486 -0.000493 0.000964
C 1.74698 2.16405 29.09837 0.01109 -0.00168 -0.0003
C 4.15029 1.89115 28.76177 0.008532 0.002351 -0.001691
C 1.9699 5.59653 29.93942 0.003974 0.0054 -0.000405
C 5.87417 3.03277 27.77406 -0.004184 0.006871 -0.003345
C 4.40355 3.01701 29.61582 0.006394 0.005297 -0.000946
C 0.77534 1.96318 25.64502 0.008842 -0.011894 1.1e-05
C 8.77924 3.03282 25.50382 -0.002844 0.016473 0.001058
C 4.40353 5.84525 29.61598 0.007523 -0.00568 -0.001044
C 1.68455 1.89122 24.51732 -0.008684 -0.010246 -0.000648
C 8.10278 3.64725 26.65613 -0.002785 -0.006112 -0.002598
C 3.32709 5.15418 30.1989 0.017764 0.004083 -0.000756
C 5.49353 3.74234 28.99403 -0.001522 0.001187 -0.000524
C 4.78964 1.30428 26.32658 0.008113 -0.004909 -0.002244
C 3.33747 1.09514 26.11597 -0.006889 0.008167 -0.006607
C 0.68575 2.17195 28.13259 0.004641 -0.00464 -0.000623
C 1.74696 6.69822 29.0986 0.009458 0.002157 2e-05
C 1.04509 1.30417 26.95201 -0.006119 -0.003374 -0.001429
C 2.86049 1.47537 28.50957 -0.001662 0.003119 -0.002262
C 2.49727 1.09504 27.16252 0.00502 0.003385 0.005679
C 2.86046 7.38688 28.50987 -0.000431 -0.003601 0.000956
C 4.69799 4.43128 23.50262 0.006426 0.000504 -0.001869
C 8.72236 3.27263 27.97481 -0.007384 0.005667 0.000998
C 5.0947 9.8118 25.14674 -0.009541 -0.012179 -0.000387
C 4.31275 10.91244 25.3038 -0.009352 -0.001977 -0.001389
C 8.2739 10.90549 29.93936 -0.004229 -0.00483 1.3e-05
C 4.55221 12.071 24.49719 -0.024347 -0.001532 -0.000733
C 6.9167 11.34786 30.19907 -0.014222 -0.001368 -0.000397
C 3.69319 11.28705 26.62211 -0.002729 -0.002804 0.002752
C 4.75033 12.7597 28.9943 0.001106 -0.00162 -0.001104
C 5.18437 9.60302 27.63393 0.003145 -0.003022 0.000821
C 8.49684 9.80384 29.09852 -0.008118 -0.000734 0.000615
C 6.09353 9.53094 28.76217 -0.009409 0.003186 -0.000805
C 8.27392 13.23631 29.93933 -0.00384 0.004457 -8.3e-05
C 4.36965 10.67256 27.77447 0.003018 0.005762 -0.002931
C 5.84027 10.65679 29.61615 -0.00625 0.003327 -0.000385
C 0.65002 9.60296 25.64511 -0.01563 -0.020168 -0.00298
C 1.46458 10.6726 25.50382 0.010104 0.025169 0.003415
C 5.8403 13.48504 29.61606 -0.004698 -0.003771 -0.000654
C 8.55927 9.53101 24.51772 0.005962 -0.030664 0.001596
C 2.14104 11.28704 26.6562 0.002008 -0.006539 -0.003335
C 6.91673 12.79397 30.19902 -0.016695 0.003386 -0.000529
C 4.75029 11.38212 28.99436 0.001495 0.002224 0.000253
C 5.45418 8.94406 26.32707 -0.008579 -0.005843 -0.000794
C 6.90635 8.73492 26.11628 0.008646 0.006803 0.000942
C 0.73961 9.81173 28.13273 -0.003294 -0.003799 -0.001072
C 8.49686 14.33801 29.09848 -0.007934 0.001686 0.00022
C 0.38028 8.94396 26.95213 0.006382 -0.002552 0.002727
C 7.38334 9.11515 28.5098 0.001725 0.00338 -9e-06
C 7.74656 8.73482 27.16292 -0.006033 0.00266 -0.000846
C 7.38336 15.02667 28.50973 0.000565 -0.004063 -0.001784
C 5.54583 12.07107 23.50469 0.003649 -0.002129 -0.000502
C 1.52146 10.91242 27.97481 0.006063 0.005393 0.0023
C 0.68572 6.69039 28.13282 0.003853 0.00433 0.000131
C 8.7224 5.58964 27.97493 -0.008456 -0.004601 -0.000436
C 3.86502 5.59671 23.34199 -0.022686 -0.012979 -0.000457
C 0.14337 4.43114 28.78115 0.000996 -0.000843 -0.000738
C 2.50783 5.15438 23.08716 0.019561 -0.036377 -0.000449
C 8.10279 5.215 26.6562 -0.003981 0.004399 0.002063
C 0.34142 3.74243 24.28391 -0.018008 -0.014608 -0.000561
C 0.77545 6.89908 25.64548 0.005081 0.0116 0.001912
C 4.08791 6.69836 24.1808 0.000622 0.012532 -0.001575
C 1.68457 6.97123 24.51786 -0.011453 0.014036 -0.001078
C 3.86498 3.26589 23.34102 -0.006328 0.008218 -0.000822
C 8.77929 5.8295 25.50415 -0.000111 -0.016193 -0.002118
C 1.43137 5.84544 23.66452 -0.025408 0.002369 8e-05
C 5.05946 6.89913 27.63376 -0.003248 -0.000793 0.000707
C 5.87415 5.82953 27.77421 -0.005468 -0.006239 -0.001018
C 1.43136 3.01709 23.66384 -0.036201 -0.014712 -0.000329
C 4.15028 6.97112 28.76202 0.007631 -0.003119 -0.001262
C 6.55063 5.21506 26.62183 0.000892 0.001065 -0.001624
C 2.50781 3.70823 23.08625 0.013072 0.055361 -0.000527
C 0.34146 5.12001 24.28415 -0.026645 0.015006 0.000604
C 1.0451 7.55816 26.95231 -0.007015 0.005034 -0.000802
C 2.49726 7.76734 27.16297 0.008018 -0.003909 -0.006025
C 5.14912 6.6904 25.14634 0.003348 0.018197 0.000411
C 4.08787 2.16426 24.1804 0.000742 -0.010541 -0.001759
C 4.78965 7.55812 26.32696 0.008289 0.006305 -0.00305
C 2.97437 7.38697 24.76949 -0.002673 0.014933 -0.001545
C 3.33747 7.76726 26.11624 -0.008296 -0.00373 0.005801
C 2.97436 1.47559 24.76911 -0.002984 -0.0197 0.001105
C 1.13694 4.43112 29.77535 -0.001544 -0.000131 0.000159
C 5.93102 5.5897 25.30327 0.013077 -0.010582 -0.001979
168
energy=-1515.04739342 config_type=nep2xyz pbc="T T T" virial="-38.207677977832205 0.0163153088225118 0.019553140728010274 0.0163153088225118 -43.50628476676795 0.003910628145602055 0.019553140728010274 0.003910628145602055 -5.008841858276129" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98479 0.010067 0.014979 0.003102
C 1.47141 0.89094 19.98777 -0.014305 -0.007236 0.003898
C 2.93782 0.89094 19.98735 0.004097 0.009047 0.003878
C 3.67602 2.16424 19.97899 -0.001987 0.00942 0.000563
C 0.73321 4.71084 19.97892 0.008797 -0.000874 -0.000255
C 1.47141 3.43754 19.97406 -0.002791 -0.006646 -0.001322
C 2.93782 3.43754 19.96707 0.002289 -0.001481 -0.003626
C 3.67602 4.71084 19.96336 0.013376 0.001054 -0.004658
C 0.73321 7.25743 19.98492 0.011039 -0.01702 0.003209
C 1.47141 5.98413 19.97453 -0.001656 0.007766 -0.00118
C 2.93782 5.98413 19.96775 0.001936 -0.001373 -0.003474
C 3.67602 7.25743 19.97984 -0.00312 -0.010079 0.000938
C 0.73321 9.80403 19.98483 0.000565 -0.010026 0.001838
C 1.47141 8.53073 19.98767 -0.014365 0.010731 0.003891
C 2.93782 8.53073 19.98765 0.003417 -0.008556 0.004028
C 3.67602 9.80403 19.98893 -0.00196 0.005926 0.004337
C 0.73321 12.35062 19.97429 -0.00342 -0.000507 -0.002518
C 1.47141 11.07732 19.98406 -0.005437 0.00789 0.00112
C 2.93782 11.07732 19.98821 -0.003569 0.000173 0.003574
C 3.67602 12.35062 19.9854 0.018729 0.001446 0.002144
C 0.73321 14.89722 19.98538 0.002279 0.007525 0.002024
C 1.47141 13.62392 19.98434 -0.004904 -0.007318 0.001259
C 2.93782 13.62392 19.98829 -0.003867 -0.002197 0.003744
C 3.67602 14.89722 19.98886 -0.002442 -0.003813 0.004376
C 5.14244 2.16424 19.98463 -0.002646 0.001917 0.00243
C 5.88064 0.89094 19.9873 -0.008422 0.004041 0.003301
C 7.34705 0.89094 19.98725 0.00122 -0.009489 0.003463
C 8.08525 2.16424 19.98907 0.008563 0.00537 0.004987
C 5.14244 4.71084 19.97657 -0.023927 -0.001113 -0.00074
C 5.88064 3.43754 19.98386 0.004088 -0.004942 0.002437
C 7.34705 3.43754 19.98862 -0.011301 0.003817 0.004843
C 8.08525 4.71084 19.9875 0.002884 0.001424 0.004031
C 5.14244 7.25743 19.98521 -0.001639 -0.004822 0.002813
C 5.88064 5.98413 19.98427 0.003264 0.005746 0.002685
C 7.34705 5.98413 19.98882 -0.010248 -0.005947 0.005069
C 8.08525 7.25743 19.98908 0.008032 -0.003672 0.005135
C 5.14244 9.80403 19.98418 0.014833 0.01144 0.001771
C 5.88064 8.53073 19.98741 -0.00813 4.6e-05 0.003573
C 7.34705 8.53073 19.98699 0.001634 0.010079 0.003379
C 8.08525 9.80403 19.97818 -0.00527 0.01692 -0.000677
C 5.14244 12.35062 19.97543 -0.013489 -0.000601 -0.002568
C 5.88064 11.07732 19.97218 -0.000344 -0.006972 -0.003488
C 7.34705 11.07732 19.96408 0.001726 -0.015502 -0.005865
C 8.08525 12.35062 19.9598 0.009865 0.002061 -0.007017
C 5.14244 14.89722 19.98423 0.015712 -0.014498 0.001697
C 5.88064 13.62392 19.97253 -0.00058 0.008969 -0.00345
C 7.34705 13.62392 19.9647 0.003075 0.013066 -0.005638
C 8.08525 14.89722 19.97899 -0.006493 -0.01742 -0.000433
C 0.9772 14.56773 28.13272 -0.00364 0.004878 -0.00181
C 1.75898 13.46699 27.97478 0.007246 -0.004938 0.002114
C 6.61636 13.47406 23.34293 0.019808 -0.025065 -0.000466
C 1.51955 12.30849 28.7811 -0.000116 0.000233 -0.002225
C 7.97355 13.03172 23.08957 -0.03525 -0.06307 -0.000356
C 2.37859 13.09235 26.65615 0.002136 0.005459 -0.001507
C 1.3215 11.61977 24.28447 0.036175 0.007172 -0.00067
C 0.88747 14.77643 25.64519 -0.015995 0.019515 -0.003929
C 6.39347 14.57571 24.18108 -0.004866 0.031607 -0.000411
C 8.79681 14.84858 24.51773 0.007889 0.029119 0.001671
C 6.6164 11.14324 23.34308 0.02158 0.02455 -0.000415
C 1.7021 13.70684 25.50385 0.008922 -0.026185 0.002402
C 0.23155 13.72279 23.66393 0.044327 0.024607 -0.000209
C 5.42192 14.77648 27.63382 0.001708 0.001612 -0.000465
C 4.60724 13.70687 27.77431 0.00447 -0.004719 -0.000558
C 0.23156 10.89444 23.66394 0.042299 -0.022427 -0.00023
C 6.3311 14.84847 28.76205 -0.009467 -0.004006 -0.000431
C 3.93075 13.0924 26.62204 -0.002961 0.002531 -0.000472
C 7.97357 11.58558 23.08968 -0.036006 0.062211 -0.000305
C 1.32146 12.99736 24.28449 0.036427 -0.005863 -0.000441
C 0.61783 0.15593 26.95209 0.006096 0.003394 0.003764
C 7.98413 0.36512 27.16291 -0.008627 -0.002223 -0.003397
C 5.33227 14.56775 25.14656 -0.010279 0.010886 -0.000338
C 6.39352 10.04161 24.18112 -0.005791 -0.032027 -0.000618
C 5.69173 0.15589 26.32692 -0.007498 0.005086 -0.000686
C 7.50701 15.26432 24.76947 0.008986 0.022432 -0.00145
C 7.14391 0.36503 26.1162 0.009817 -0.006344 0.002749
C 7.50703 9.35293 24.76942 0.010179 -0.023386 -0.001017
C 0.52599 12.30847 29.77527 0.0016 4.1e-05 0.000917
C 4.55037 13.46705 25.30369 -0.01201 0.001482 -0.001173
C 5.38668 2.40958 25.14578 -0.002592 -0.020637 0.001005
C 6.16864 3.51021 25.30297 0.013823 0.014031 -0.003413
C 2.20749 3.50327 29.93924 0.005352 -0.007104 -0.000555
C 5.92918 4.66878 24.49617 0.023314 -0.000607 0.001411
C 3.56469 3.94563 30.19873 0.016601 -0.00441 -0.000831
C 6.7882 3.88482 26.62157 0.000694 -0.002217 0.001922
C 5.73105 5.35748 28.99399 -0.000715 -0.001385 -0.001226
C 5.29701 2.2008 27.6334 -0.004254 -9.4e-05 0.001543
C 1.98454 2.40161 29.09833 0.011263 -0.001632 -0.000416
C 4.38785 2.12871 28.76171 0.008608 0.002767 -0.001874
C 2.20746 5.83409 29.93934 0.005203 0.005062 -0.000585
C 6.11173 3.27033 27.77397 -0.005271 0.00655 -0.003407
C 4.64111 3.25457 29.61573 0.006347 0.005168 -0.000842
C 1.01291 2.20074 25.64504 0.00715 -0.01207 0.00181
C 0.19834 3.27038 25.50391 -0.000411 0.015702 -0.000792
C 4.64109 6.08282 29.61582 0.007496 -0.006044 -0.000949
C 1.92211 2.12878 24.51729 -0.011824 -0.007959 -0.00158
C 8.34034 3.88481 26.65612 -0.003142 -0.006045 -0.00122
C 3.56465 5.39174 30.19876 0.017982 0.005551 -0.000765
C 5.73109 3.9799 28.99394 -0.001528 0.000605 -0.000315
C 5.0272 1.54184 26.32654 0.008356 -0.004149 -0.003003
C 3.57503 1.3327 26.11585 -0.007852 0.007824 -0.001312
C 0.92331 2.40951 28.13257 0.004525 -0.003984 -0.000168
C 1.98452 6.93578 29.09847 0.010639 0.002488 -0.000169
C 1.28265 1.54173 26.95201 -0.006519 -0.004531 -0.002555
C 3.09805 1.71293 28.5095 -0.000498 0.004189 -0.000679
C 2.73483 1.3326 27.16249 0.007953 0.003529 0.000442
C 3.09802 7.62444 28.50968 0.000345 -0.003423 4.2e-05
C 4.93555 4.66884 23.50256 0.000125 -0.000152 -0.001867
C 0.14146 3.51019 27.97482 -0.008762 0.005927 0.000192
C 5.33226 10.04936 25.14654 -0.010713 -0.010569 0.000608
C 4.55031 11.15 25.30367 -0.010342 -0.001286 -0.002311
C 8.51146 11.14305 29.9393 -0.004061 -0.004772 -0.000201
C 4.78977 12.30856 24.49713 -0.029095 -5.3e-05 0.00054
C 7.15426 11.58542 30.19896 -0.016689 -0.001642 -0.00037
C 3.93075 11.52461 26.62199 -0.003442 -0.002438 0.002749
C 4.98789 12.99726 28.99419 0.001219 -0.001881 -0.000565
C 5.42193 9.84059 27.63372 0.002617 -0.002707 0.002127
C 8.7344 10.0414 29.09844 -0.008859 -0.001132 0.000709
C 6.33109 9.7685 28.76199 -0.008845 0.003548 -0.001392
C 8.51148 13.47387 29.93934 -0.005048 0.00518 -0.000271
C 4.60721 10.91012 27.7743 0.003054 0.004732 -0.003183
C 6.07783 10.89435 29.61594 -0.004971 0.003763 -0.000306
C 0.88758 9.84052 25.64505 -0.016475 -0.019986 -0.004104
C 1.70214 10.91016 25.50377 0.010356 0.026116 0.003366
C 6.07786 13.7226 29.61597 -0.004932 -0.003323 -0.000481
C 8.79683 9.76857 24.51764 0.008199 -0.030897 0.001743
C 2.3786 11.5246 26.65616 0.001834 -0.006428 -0.003244
C 7.15429 13.03153 30.19899 -0.017516 0.002478 -0.000405
C 4.98785 11.61968 28.99417 0.002372 0.00221 0.00027
C 5.69174 9.18162 26.32691 -0.007677 -0.00548 -0.002509
C 7.14391 8.97248 26.1161 0.009477 0.006701 0.002107
C 0.97717 10.0493 28.13267 -0.003297 -0.005143 -0.001821
C 8.73442 14.57557 29.09849 -0.008473 0.001303 0.000784
C 0.61784 9.18152 26.95204 0.006177 -0.003125 0.003593
C 7.6209 9.35271 28.50965 0.001873 0.004579 0.00024
C 7.98412 8.97238 27.16279 -0.007247 0.002089 -0.002579
C 7.62092 15.26423 28.50972 0.001843 -0.003536 0.000119
C 5.78339 12.30863 23.50455 0.005858 0.000451 -0.00092
C 1.75902 11.14998 27.97476 0.006197 0.005164 0.002652
C 0.92328 6.92795 28.13271 0.003456 0.004741 -0.000171
C 0.1415 5.8272 27.97487 -0.009936 -0.005755 -0.000415
C 4.10258 5.83427 23.34114 -0.013081 -0.007865 -0.000532
C 0.38093 4.6687 28.78114 0.001108 -0.000586 -0.000893
C 2.74539 5.39194 23.08652 0.012149 -0.035607 -0.000611
C 8.34036 5.45256 26.65615 -0.003255 0.004955 0.000993
C 0.57899 3.97999 24.28405 -0.021979 -0.010107 -0.00028
C 1.01301 7.13664 25.64528 0.004986 0.012468 0.001652
C 4.32547 6.93592 24.18047 -0.004261 0.0086 -0.00178
C 1.92214 7.20879 24.51751 -0.01068 0.00931 -0.001452
C 4.10254 3.50345 23.34093 -0.009646 0.007694 -0.000564
C 0.19839 6.06706 25.50407 0.001245 -0.014244 -0.001942
C 1.66893 6.083 23.66417 -0.028208 0.008688 -0.000204
C 5.29702 7.13669 27.63358 -0.003774 -0.001013 -0.000531
C 6.11171 6.06709 27.77403 -0.005984 -0.007486 -0.000357
C 1.66892 3.25465 23.664 -0.030431 -0.010595 -0.000288
C 4.38784 7.20868 28.76185 0.008577 -0.002984 -0.000938
C 6.78819 5.45262 26.62166 0.000803 0.001255 -0.00175
C 2.74537 3.94579 23.08633 0.011839 0.039385 -0.000603
C 0.57902 5.35757 24.28413 -0.023562 0.009952 8.7e-05
C 1.28266 7.79572 26.95216 -0.006947 0.004853 -0.001635
C 2.73482 8.0049 27.16275 0.009351 -0.003445 -0.003493
C 5.38668 6.92796 25.14598 -0.00153 0.020828 0.000277
C 4.32543 2.40182 24.18034 -0.003904 -0.010501 -0.002026
C 5.02721 7.79568 26.3267 0.00789 0.005151 -0.001713
C 3.21193 7.62453 24.76919 0.00107 0.018511 -0.000895
C 3.57503 8.00482 26.11604 -0.009077 -0.005589 0.002595
C 3.21192 1.71315 24.769 0.002487 -0.020166 0.000121
C 1.3745 4.66868 29.77534 -0.001122 0.000539 -4e-05
C 6.16858 5.82726 25.30303 0.014284 -0.013162 -0.00207
168
energy=-1515.04739555 config_type=nep2xyz pbc="T T T" virial="-38.20549139005187 -0.0822072905876561 -0.004331125795666793 -0.0822072905876561 -43.4631417078713 0.00748485817115232 -0.004331125795666793 0.00748485817115232 -5.0138037305468925" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98568 0.012992 0.019047 0.004519
C 1.47141 0.89094 19.9869 -0.011888 -0.013437 0.004695
C 2.93782 0.89094 19.98746 0.001434 0.011149 0.005189
C 3.67602 2.16424 19.98077 -0.005541 0.009487 0.000942
C 0.73321 4.71084 19.98105 0.009176 0.006531 -7.6e-05
C 1.47141 3.43754 19.97701 0.004614 -0.013943 -0.001211
C 2.93782 3.43754 19.96903 -0.000199 -6.8e-05 -0.004979
C 3.67602 4.71084 19.96225 0.017411 -0.005652 -0.008023
C 0.73321 7.25743 19.98532 0.01001 -0.012077 0.003967
C 1.47141 5.98413 19.97534 0.002386 0.001495 -0.00214
C 2.93782 5.98413 19.96611 -3.6e-05 0.011677 -0.00649
C 3.67602 7.25743 19.9767 -0.003959 -0.010469 -0.001352
C 0.73321 9.80403 19.9854 0.004776 -0.001716 0.002631
C 1.47141 8.53073 19.98753 -0.011734 0.005683 0.004783
C 2.93782 8.53073 19.98618 0.005892 -0.008364 0.003883
C 3.67602 9.80403 19.98827 -0.003883 -0.000201 0.005464
C 0.73321 12.35062 19.97194 0.007662 0.003542 -0.004394
C 1.47141 11.07732 19.98247 -0.004183 0.007987 0.000977
C 2.93782 11.07732 19.98714 -0.008236 0.003651 0.004472
C 3.67602 12.35062 19.98531 0.019589 -0.001741 0.00293
C 0.73321 14.89722 19.9827 -0.001529 0.01027 0.001033
C 1.47141 13.62392 19.98142 -0.005164 -0.014739 -5.7e-05
C 2.93782 13.62392 19.98689 -0.005509 0.003844 0.003996
C 3.67602 14.89722 19.98845 -0.002188 -0.010649 0.005604
C 5.14244 2.16424 19.98519 0.001227 0.009042 0.003297
C 5.88064 0.89094 19.9874 -0.00679 -0.001495 0.004815
C 7.34705 0.89094 19.9864 0.003956 -0.007099 0.004367
C 8.08525 2.16424 19.98885 0.003559 -0.001101 0.006827
C 5.14244 4.71084 19.97424 -0.021681 0.006307 -0.003329
C 5.88064 3.43754 19.98314 -0.001031 -0.008302 0.002289
C 7.34705 3.43754 19.98828 -0.0095 0.007287 0.006267
C 8.08525 4.71084 19.98763 0.001261 -0.002633 0.005079
C 5.14244 7.25743 19.98219 -0.00187 0.002521 0.001217
C 5.88064 5.98413 19.98136 0.00444 0.000636 0.000984
C 7.34705 5.98413 19.98752 -0.013198 0.001012 0.005586
C 8.08525 7.25743 19.9888 0.005624 -0.008307 0.006748
C 5.14244 9.80403 19.98513 0.01429 0.016586 0.002939
C 5.88064 8.53073 19.98676 -0.009686 -0.009917 0.004147
C 7.34705 8.53073 19.98757 0.002513 0.011865 0.005049
C 8.08525 9.80403 19.9809 -0.004374 0.010514 0.000256
C 5.14244 12.35062 19.97792 -0.014134 0.003614 -0.0022
C 5.88064 11.07732 19.97574 0.000685 -0.011961 -0.003118
C 7.34705 11.07732 19.96802 -0.002445 -0.005332 -0.006363
C 8.08525 12.35062 19.961 0.003534 -0.005984 -0.00936
C 5.14244 14.89722 19.98484 0.011846 -0.006829 0.002941
C 5.88064 13.62392 19.97453 0.002843 -0.001538 -0.00384
C 7.34705 13.62392 19.96548 -0.002883 0.011284 -0.00766
C 8.08525 14.89722 19.97724 -0.000839 -0.014394 -0.001606
C 1.21476 14.80529 28.13279 -0.002967 0.004742 -0.00069
C 1.99654 13.70455 27.97485 0.007651 -0.004951 0.001172
C 6.85393 13.71162 23.34311 0.026879 -0.024994 -0.00033
C 1.75712 12.54605 28.78112 -0.000997 -0.000394 -0.000965
C 8.21111 13.26928 23.09012 -0.03372 -0.061082 -0.000223
C 2.61615 13.32991 26.65622 0.003299 0.006084 -0.000338
C 1.55906 11.85733 24.28444 0.035186 0.007741 -0.000124
C 1.12503 15.01399 25.64534 -0.01258 0.019305 -0.00161
C 6.63103 14.81327 24.18113 -0.006918 0.031792 -0.000829
C 0.21591 15.08614 24.5179 0.009136 0.033185 0.000906
C 6.85396 11.3808 23.34232 0.018837 0.024396 -0.000631
C 1.93966 13.9444 25.50405 0.008992 -0.02423 0.001129
C 0.46911 13.96035 23.66432 0.03243 0.017671 0.000257
C 5.65948 15.01404 27.6338 0.001879 0.00061 0.001345
C 4.8448 13.94443 27.77425 0.004622 -0.004652 -0.001774
C 0.46912 11.132 23.66386 0.040798 -0.026958 -8.4e-05
C 6.56866 15.08603 28.76207 -0.009115 -0.004038 -0.001201
C 4.16831 13.32996 26.62195 -0.002259 0.001897 0.000205
C 8.21113 11.82314 23.08944 -0.030866 0.073177 -0.000291
C 1.55902 13.23492 24.28461 0.038835 -0.007927 0.000217
C 0.85539 0.39349 26.9522 0.006192 0.00343 0.003104
C 8.22169 0.60268 27.163 -0.00979 -0.00291 -0.008492
C 5.56983 14.80531 25.14656 -0.009291 0.012948 0.000306
C 6.63108 10.27917 24.18081 -0.005844 -0.033347 -0.000896
C 5.92929 0.39345 26.32698 -0.007934 0.005395 -0.003265
C 7.74458 0.2223 24.76954 0.009508 0.019832 -0.002198
C 7.38147 0.60259 26.11619 0.010746 -0.004755 0.008258
C 7.74459 9.59049 24.76921 0.005548 -0.022915 -0.000236
C 0.76355 12.54603 29.77529 0.000943 -0.000269 0.000607
C 4.78793 13.70461 25.30355 -0.012233 -0.001401 -0.001557
C 5.62425 2.64714 25.14615 -7.2e-05 -0.018036 -0.000845
C 6.4062 3.74777 25.30321 0.013007 0.008675 -0.001503
C 2.44505 3.74083 29.93937 0.005753 -0.005852 -8.9e-05
C 6.16674 4.90634 24.49635 0.021485 7.9e-05 -0.000648
C 3.80225 4.18319 30.19882 0.017279 -0.002669 -0.000823
C 7.02576 4.12238 26.62179 0.000243 -0.001827 -4.1e-05
C 5.96861 5.59504 28.99406 -0.001229 -0.001067 -0.001359
C 5.53457 2.43836 27.63363 -0.003617 -0.002263 -0.000937
C 2.22211 2.63917 29.0985 0.01154 -0.002728 -0.0005
C 4.62542 2.36627 28.76188 0.008121 0.00269 -0.000902
C 2.44502 6.07165 29.93935 0.005334 0.006095 -0.000474
C 6.34929 3.50789 27.77413 -0.006529 0.00579 -0.001672
C 4.87867 3.49213 29.61588 0.007559 0.005049 -0.000795
C 1.25047 2.4383 25.64525 0.006511 -0.013092 0.001762
C 0.4359 3.50794 25.5042 -0.001165 0.016786 -0.000515
C 4.87865 6.32038 29.61584 0.005206 -0.004019 -0.001191
C 2.15967 2.36634 24.51749 -0.011354 -0.013806 -0.000824
C 8.5779 4.12237 26.65634 -0.003863 -0.00551 -0.000188
C 3.80221 5.6293 30.1988 0.018412 0.005475 -0.000962
C 5.96865 4.21746 28.99411 -0.001172 0.001118 -0.000812
C 5.26476 1.7794 26.32671 0.009082 -0.004963 0.000666
C 3.81259 1.57026 26.11609 -0.006912 0.007839 -0.008354
C 1.16087 2.64707 28.13275 0.00484 -0.004601 0.000576
C 2.22208 7.17334 29.09848 0.011391 0.002884 -0.000327
C 1.52021 1.77929 26.95218 -0.007218 -0.004354 -0.002958
C 3.33561 1.95049 28.50968 0.000193 0.004243 -0.00227
C 2.97239 1.57016 27.16259 0.006193 0.00393 0.007637
C 3.33558 7.862 28.50959 -0.000142 -0.004302 0.000568
C 5.17311 4.9064 23.50303 -0.003589 -0.000418 -0.001268
C 0.37902 3.74775 27.97502 -0.009089 0.005785 -0.000324
C 5.56982 10.28693 25.14618 -0.005211 -0.012734 -0.0001
C 4.78787 11.38756 25.30338 -0.01472 0.004783 -0.001737
C 8.74902 11.38062 29.93925 -0.005256 -0.00536 -0.000209
C 5.02733 12.54612 24.49689 -0.028457 -0.000854 0.000199
C 7.39182 11.82298 30.1989 -0.016942 -0.002621 -0.000695
C 4.16831 11.76217 26.62186 -0.002435 -0.003165 0.000576
C 5.22545 13.23482 28.99412 0.001655 -0.002616 -0.000448
C 5.65949 10.07815 27.63359 0.003128 -0.002242 2.6e-05
C 0.1535 10.27896 29.09837 -0.009926 -0.001382 0.000185
C 6.56865 10.00606 28.76185 -0.009865 0.003445 -0.001076
C 8.74905 13.71143 29.93939 -0.005332 0.003823 -0.000166
C 4.84477 11.14768 27.77412 0.004028 0.005521 -0.001783
C 6.31539 11.13191 29.61582 -0.004166 0.004262 -0.000707
C 1.12514 10.07808 25.64495 -0.01494 -0.018967 -0.001435
C 1.9397 11.14772 25.5038 0.008551 0.023797 0.001734
C 6.31542 13.96016 29.61596 -0.007071 -0.00383 -0.000702
C 0.21593 10.00613 24.51746 0.009413 -0.027567 0.000663
C 2.61616 11.76216 26.65615 0.00213 -0.00596 -0.001564
C 7.39185 13.26909 30.19899 -0.01803 0.002317 -0.000538
C 5.22541 11.85724 28.99406 0.001817 0.002063 -0.000685
C 5.9293 9.41918 26.32668 -0.007091 -0.004459 -0.001272
C 7.38147 9.21005 26.11594 0.010139 0.007944 -0.001245
C 1.21473 10.28686 28.13258 -0.004177 -0.005414 -0.000802
C 0.15352 14.81313 29.09857 -0.008922 0.002138 0.000481
C 0.8554 9.41908 26.95197 0.006708 -0.003029 0.000954
C 7.85846 9.59027 28.50953 0.003305 0.004848 -0.000692
C 8.22168 9.20994 27.16261 -0.006909 0.002535 0.000552
C 7.85848 0.22222 28.50978 0.001496 -0.003583 0.001814
C 6.02095 12.54619 23.50399 0.003098 0.001312 -0.001044
C 1.99658 11.38754 27.97479 0.007808 0.005881 0.001483
C 1.16084 7.16551 28.13272 0.004894 0.005597 -9.2e-05
C 0.37906 6.06477 27.97496 -0.009928 -0.005679 -0.000508
C 4.34014 6.07183 23.34063 -0.007233 -0.007583 -0.000783
C 0.61849 4.90626 28.78125 0.001652 0.000905 0.000212
C 2.98295 5.6295 23.08673 0.012273 -0.040008 -0.00063
C 8.57792 5.69012 26.65628 -0.003488 0.005365 0.000636
C 0.81655 4.21755 24.28452 -0.027286 -0.00084 8.7e-05
C 1.25057 7.3742 25.64521 0.00727 0.01301 0.000298
C 4.56303 7.17349 24.18037 -0.00661 0.013366 -0.001301
C 2.1597 7.44635 24.51731 -0.014312 0.006355 -0.000684
C 4.3401 3.74101 23.34143 -0.01363 0.006426 -0.000926
C 0.43595 6.30462 25.50415 0.000475 -0.016486 -0.000842
C 1.90649 6.32056 23.66408 -0.03259 0.017871 -0.000123
C 5.53458 7.37425 27.63358 -0.004572 0.000187 -0.000938
C 6.34927 6.30465 27.77411 -0.00631 -0.006512 -0.000698
C 1.90649 3.49221 23.66441 -0.024787 -0.007544 -0.000211
C 4.6254 7.44624 28.76186 0.008704 -0.003229 -0.000944
C 7.02575 5.69018 26.6218 0.000507 0.002336 -0.001665
C 2.98293 4.18335 23.08741 0.01472 0.030996 -0.00046
C 0.81658 5.59513 24.2844 -0.024797 0.00183 5.7e-05
C 1.52022 8.03328 26.95207 -0.007252 0.004445 -3.7e-05
C 2.97238 8.24247 27.16269 0.011982 -0.003052 -0.006136
C 5.62424 7.16552 25.14592 -0.001714 0.017113 -0.000671
C 4.56299 2.63938 24.18066 -0.00445 -0.013028 -0.000827
C 5.26478 8.03324 26.32662 0.006631 0.004656 -0.001919
C 3.44949 7.86209 24.76901 0.008236 0.019905 -0.001958
C 3.8126 8.24238 26.11589 -0.012084 -0.006968 0.005056
C 3.44948 1.95071 24.76916 0.002981 -0.021611 0.001508
C 1.61206 4.90624 29.77544 -0.001093 0.000472 -0.000161
C 6.40614 6.06482 25.30315 0.015585 -0.010577 -0.001203
168
energy=-1515.04660195 config_type=nep2xyz pbc="T T T" virial="-38.21789607072878 -0.13333980483552815 -0.012320581146896796 -0.13333980483552815 -43.464192951996466 0.011353436551747902 -0.012320581146896796 0.011353436551747902 -4.997950969139452" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98619 0.014844 0.02033 0.004896
C 1.47141 0.89094 19.98584 -0.009834 -0.015833 0.004274
C 2.93782 0.89094 19.98761 -0.001919 0.00952 0.00558
C 3.67602 2.16424 19.98241 -0.005928 0.010235 0.001564
C 0.73321 4.71084 19.98275 0.00726 0.008903 0.000642
C 1.47141 3.43754 19.97947 0.008277 -0.01887 -0.00038
C 2.93782 3.43754 19.97082 -0.000591 0.00372 -0.004853
C 3.67602 4.71084 19.96141 0.013484 -0.01358 -0.009929
C 0.73321 7.25743 19.98609 0.00772 -0.006887 0.004289
C 1.47141 5.98413 19.97655 0.00961 -0.003901 -0.002415
C 2.93782 5.98413 19.96452 -0.004288 0.021024 -0.00874
C 3.67602 7.25743 19.97338 -0.007063 -0.007812 -0.004177
C 0.73321 9.80403 19.98571 0.008826 0.005166 0.003238
C 1.47141 8.53073 19.9875 -0.008611 0.003266 0.004723
C 2.93782 8.53073 19.98465 0.009022 -0.010844 0.002616
C 3.67602 9.80403 19.98773 -0.003429 -0.004812 0.005274
C 0.73321 12.35062 19.9697 0.014849 0.003985 -0.005811
C 1.47141 11.07732 19.9808 -0.00256 0.007422 0.000429
C 2.93782 11.07732 19.98633 -0.013742 0.005945 0.004415
C 3.67602 12.35062 19.98561 0.017821 -0.001931 0.003623
C 0.73321 14.89722 19.97959 -0.003655 0.009322 -0.000789
C 1.47141 13.62392 19.97823 -0.004646 -0.017092 -0.002027
C 2.93782 13.62392 19.98575 -0.007359 0.006808 0.003686
C 3.67602 14.89722 19.98837 -0.00122 -0.014338 0.006251
C 5.14244 2.16424 19.9857 0.004512 0.012586 0.003749
C 5.88064 0.89094 19.98763 -0.004394 -0.003691 0.005571
C 7.34705 0.89094 19.98546 0.007068 -0.005503 0.004354
C 8.08525 2.16424 19.98851 -0.000188 -0.006165 0.007203
C 5.14244 4.71084 19.97159 -0.012894 0.009919 -0.005707
C 5.88064 3.43754 19.98235 -0.005894 -0.006135 0.001486
C 7.34705 3.43754 19.98795 -0.008248 0.008388 0.006335
C 8.08525 4.71084 19.9877 0.000848 -0.003224 0.005279
C 5.14244 7.25743 19.97879 -0.001704 0.010547 -0.001398
C 5.88064 5.98413 19.97829 0.003963 -0.005657 -0.001614
C 7.34705 5.98413 19.98638 -0.013424 0.005503 0.004808
C 8.08525 7.25743 19.98878 0.002453 -0.011462 0.007188
C 5.14244 9.80403 19.98597 0.012203 0.016903 0.003904
C 5.88064 8.53073 19.98586 -0.012621 -0.01642 0.003933
C 7.34705 8.53073 19.98802 0.004285 0.012173 0.006074
C 8.08525 9.80403 19.98313 -0.003855 0.004172 0.001774
C 5.14244 12.35062 19.98073 -0.011482 0.005761 -0.000242
C 5.88064 11.07732 19.97926 0.00379 -0.011979 -0.000887
C 7.34705 11.07732 19.9719 -0.006969 0.003908 -0.004658
C 8.08525 12.35062 19.96261 -0.003985 -0.004988 -0.009458
C 5.14244 14.89722 19.9858 0.006288 -0.001512 0.004275
C 5.88064 13.62392 19.97706 0.007465 -0.008993 -0.002308
C 7.34705 13.62392 19.96682 -0.004012 0.004561 -0.00776
C 8.08525 14.89722 19.97546 0.002867 -0.01127 -0.002763
C 1.45232 15.04285 28.13291 -0.00394 0.005022 0.001462
C 2.23411 13.94211 27.97502 0.008377 -0.005056 -0.001235
C 7.09149 13.94918 23.34282 0.034052 -0.023515 -0.001297
C 1.99468 12.78361 28.78117 -0.002918 -0.000537 0.003329
C 8.44867 13.50684 23.08972 -0.028189 -0.052921 -0.000177
C 2.85371 13.56747 26.65635 0.003019 0.005913 -0.000933
C 1.79662 12.09489 24.28435 0.028101 0.002477 0.001381
C 1.36259 15.25155 25.64557 -0.008352 0.015494 -0.000885
C 6.86859 15.05083 24.18101 -0.006283 0.030006 0.002014
C 0.45347 0.04413 24.51804 0.012633 0.029819 0.001314
C 7.09152 11.61836 23.34149 0.011866 0.017657 -0.001496
C 2.17722 14.18196 25.50424 0.005995 -0.019129 0.00178
C 0.70667 14.19791 23.66478 0.022217 0.008287 8.6e-05
C 5.89704 15.2516 27.63387 0.001646 0.001784 -0.003317
C 5.08236 14.18199 27.77422 0.005405 -0.0051 1e-06
C 0.70668 11.36956 23.66389 0.037156 -0.025531 3.4e-05
C 6.80622 0.04401 28.76207 -0.009323 -0.004443 0.000663
C 4.40588 13.56752 26.62192 -0.000322 0.000878 -0.001164
C 8.44869 12.0607 23.08852 -0.020427 0.076331 -0.000381
C 1.79658 13.47248 24.28469 0.037294 -0.003249 -0.00013
C 1.09295 0.63105 26.95239 0.008612 0.00365 -0.000263
C 8.45925 0.84024 27.16295 -0.007301 -0.004976 0.003428
C 5.80739 15.04287 25.1466 -0.00583 0.01385 -0.003868
C 6.86864 10.51673 24.18049 -0.005697 -0.027813 0.001588
C 6.16685 0.63101 26.32694 -0.009404 0.006261 0.002697
C 7.98214 0.45987 24.76958 0.004246 0.016382 -0.001099
C 7.61903 0.84015 26.11637 0.007589 -0.004784 -0.002713
C 7.98215 9.82806 24.76916 0.003666 -0.020189 -0.001121
C 1.00111 12.78359 29.77541 0.001247 -0.000812 -0.000889
C 5.02549 13.94217 25.30337 -0.014931 -0.003996 0.002957
C 5.86181 2.8847 25.14634 0.003018 -0.016623 -0.000524
C 6.64376 3.98533 25.30338 0.013206 0.005727 -0.000865
C 2.68261 3.97839 29.93942 0.005973 -0.004452 0.000209
C 6.4043 5.1439 24.49653 0.020185 -0.001034 0.000144
C 4.03981 4.42076 30.19892 0.01803 -0.002461 -0.00066
C 7.26332 4.35994 26.62196 0.000679 -0.00149 -0.002915
C 6.20617 5.8326 28.99407 -0.00162 -0.001552 -0.000789
C 5.77213 2.67592 27.63376 -0.002976 -0.002243 -0.003461
C 2.45967 2.87673 29.09858 0.011179 -0.003336 -0.000213
C 4.86298 2.60384 28.76194 0.008524 0.003572 0.000835
C 2.68258 6.30921 29.93937 0.006098 0.005956 -0.000113
C 6.58685 3.74546 27.77419 -0.007566 0.004925 0.001556
C 5.11624 3.72969 29.61596 0.006942 0.005254 -0.000958
C 1.48803 2.67586 25.64536 0.007986 -0.015059 -0.00056
C 0.67346 3.7455 25.5043 -0.003938 0.017936 0.000343
C 5.11621 6.55794 29.61587 0.004472 -0.003741 -0.001169
C 2.39723 2.6039 24.51765 -0.011381 -0.021881 0.000623
C 8.81546 4.35993 26.65641 -0.00382 -0.00524 0.001226
C 4.03977 5.86687 30.19887 0.019443 0.004756 -0.000869
C 6.20621 4.45502 28.99419 -0.000247 0.001769 -0.001609
C 5.50232 2.01696 26.32683 0.008808 -0.005454 0.000992
C 4.05015 1.80782 26.11617 -0.006663 0.006934 -0.006132
C 1.39843 2.88463 28.13283 0.004832 -0.004906 0.000817
C 2.45964 7.4109 29.0985 0.010944 0.002124 -0.000662
C 1.75777 2.01685 26.95225 -0.007452 -0.00386 -0.000387
C 3.57317 2.18805 28.50975 -0.001167 0.004144 -0.00249
C 3.20995 1.80772 27.1627 0.006932 0.003433 0.006496
C 3.57314 8.09956 28.50959 4.8e-05 -0.005423 -0.00017
C 5.41067 5.14396 23.50359 -0.001265 -0.002404 -0.001497
C 0.61658 3.98532 27.9751 -0.008974 0.005928 -0.001216
C 5.80738 10.52449 25.14591 0.00434 -0.016313 -0.005088
C 5.02543 11.62512 25.30302 -0.021202 0.013655 0.004848
C 0.16812 11.61818 29.93928 -0.006201 -0.005289 5.8e-05
C 5.26489 12.78369 24.49666 -0.020658 -0.003478 -0.007026
C 7.62938 12.06054 30.19886 -0.018172 -0.004189 -0.000891
C 4.40587 11.99973 26.62186 -0.001058 -0.002508 -0.006786
C 5.46301 13.47238 28.99415 0.001434 -0.002824 -0.000881
C 5.89705 10.31571 27.63356 0.003194 -0.002788 -0.005819
C 0.39106 10.51652 29.0984 -0.010383 -0.001908 -0.001225
C 6.80621 10.24362 28.76177 -0.009014 0.00387 0.000921
C 0.16814 13.94899 29.93947 -0.004985 0.00266 0.000353
C 5.08233 11.38524 27.77397 0.005957 0.006276 0.003462
C 6.55295 11.36947 29.61578 -0.0054 0.005524 -0.001165
C 1.3627 10.31564 25.64494 -0.012302 -0.016946 0.003415
C 2.17726 11.38528 25.50394 0.006089 0.0197 -0.003694
C 6.55298 14.19772 29.61601 -0.008764 -0.004911 -0.000864
C 0.45349 10.24369 24.5174 0.00925 -0.022084 -0.001034
C 2.85372 11.99972 26.65611 0.001955 -0.005498 0.005425
C 7.62941 13.50665 30.19898 -0.01798 0.002439 -0.000628
C 5.46298 12.0948 28.99402 0.001243 0.001934 -0.002129
C 6.16686 9.65674 26.32646 -0.00877 -0.003772 0.003997
C 7.61903 9.44761 26.1159 0.011045 0.008637 -0.002049
C 1.45229 10.52442 28.13257 -0.005489 -0.004807 0.002288
C 0.39108 15.05069 29.09869 -0.009478 0.002847 -0.000541
C 1.09296 9.65664 26.95205 0.00601 -0.003185 -0.003384
C 8.09602 9.82783 28.50952 0.002194 0.005184 -0.000916
C 8.45924 9.4475 27.16259 -0.00802 0.002143 0.001297
C 8.09604 0.45978 28.50992 0.000962 -0.003226 -0.001347
C 6.25851 12.78375 23.50315 -0.007163 3.8e-05 0.001362
C 2.23414 11.6251 27.97491 0.009513 0.006393 -0.003429
C 1.3984 7.40307 28.13273 0.005838 0.005386 0.000189
C 0.61662 6.30233 27.97498 -0.009817 -0.005778 -0.000722
C 4.5777 6.30939 23.34068 -0.008607 -0.010897 -0.000618
C 0.85605 5.14383 28.78127 0.002651 0.001208 0.001999
C 3.22051 5.86706 23.08746 0.017457 -0.04502 -0.000522
C 8.81548 5.92768 26.65633 -0.003187 0.005612 -0.000448
C 1.05411 4.45511 24.28484 -0.028229 0.006214 0.000224
C 1.48814 7.61176 25.64524 0.009794 0.015682 -0.000953
C 4.8006 7.41105 24.18044 -0.007332 0.021949 -0.001855
C 2.39726 7.68391 24.51736 -0.017595 0.006992 -8.2e-05
C 4.57766 3.97857 23.34195 -0.013878 0.005977 -0.000583
C 0.67351 6.54218 25.50417 -0.001758 -0.019419 0.000732
C 2.14405 6.55812 23.66417 -0.036711 0.024091 6e-06
C 5.77214 7.61181 27.63362 -0.003864 0.000724 -0.000177
C 6.58683 6.54221 27.77416 -0.005842 -0.005635 -0.001985
C 2.14405 3.72977 23.66457 -0.026395 -0.006532 5.4e-05
C 4.86296 7.6838 28.76188 0.00883 -0.002939 -0.001079
C 7.26331 5.92774 26.62186 0.001115 0.002385 0.000568
C 3.22049 4.42091 23.08845 0.019058 0.035147 -0.000326
C 1.05414 5.83269 24.28465 -0.02727 -0.002972 -9.5e-05
C 1.75778 8.27084 26.95208 -0.007953 0.004508 0.001018
C 3.20994 8.48003 27.16265 0.010895 -0.003229 -0.002324
C 5.8618 7.40308 25.14604 0.002097 0.011958 0.00048
C 4.80055 2.87694 24.18089 -0.002489 -0.016124 -0.000934
C 5.50234 8.2708 26.32665 0.007062 0.004292 -0.002962
C 3.68705 8.09965 24.76899 0.012416 0.020813 -0.000647
C 4.05016 8.47994 26.11591 -0.011152 -0.007262 0.001225
C 3.68704 2.18827 24.76933 -0.000275 -0.021446 0.000929
C 1.84962 5.1438 29.77547 -0.000439 0.000411 -0.000546
C 6.6437 6.30238 25.30335 0.014064 -0.003893 -0.002364
168
energy=-1515.04531426 config_type=nep2xyz pbc="T T T" virial="-38.24560686586804 -0.12265916452388381 -0.009713495716495426 -0.12265916452388381 -43.52053963710514 0.008830450651359479 -0.009713495716495426 0.008830450651359479 -4.964731654784337" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.9867 0.014821 0.017062 0.004471
C 1.47141 0.89094 19.98469 -0.008853 -0.016026 0.003038
C 2.93782 0.89094 19.98784 -0.005422 0.005079 0.005106
C 3.67602 2.16424 19.9839 -0.004508 0.011754 0.002092
C 0.73321 4.71084 19.98442 0.003423 0.006121 0.001571
C 1.47141 3.43754 19.98184 0.008953 -0.017831 0.000724
C 2.93782 3.43754 19.9728 0.001074 0.008787 -0.003629
C 3.67602 4.71084 19.96109 0.002741 -0.018027 -0.009484
C 0.73321 7.25743 19.98706 0.005089 -0.003359 0.004117
C 1.47141 5.98413 19.9781 0.018183 -0.005281 -0.001869
C 2.93782 5.98413 19.96334 -0.009254 0.020473 -0.008588
C 3.67602 7.25743 19.97023 -0.010867 -0.002624 -0.005547
C 0.73321 9.80403 19.98596 0.011508 0.008115 0.00326
C 1.47141 8.53073 19.98751 -0.004571 0.00339 0.003965
C 2.93782 8.53073 19.98309 0.010983 -0.015353 0.001153
C 3.67602 9.80403 19.98736 -0.00237 -0.00569 0.004277
C 0.73321 12.35062 19.96783 0.017072 0.000549 -0.005995
C 1.47141 11.07732 19.97945 -0.002389 0.007591 7.7e-05
C 2.93782 11.07732 19.98595 -0.016951 0.005071 0.003748
C 3.67602 12.35062 19.98627 0.014196 -0.000148 0.0038
C 0.73321 14.89722 19.97599 -0.000369 0.005784 -0.00238
C 1.47141 13.62392 19.97467 -0.001636 -0.012395 -0.003447
C 2.93782 13.62392 19.98481 -0.011382 0.005852 0.002668
C 3.67602 14.89722 19.98857 0.000318 -0.013586 0.005786
C 5.14244 2.16424 19.98619 0.006031 0.011147 0.003606
C 5.88064 0.89094 19.98795 -0.001352 -0.002143 0.005631
C 7.34705 0.89094 19.98448 0.008168 -0.006661 0.003564
C 8.08525 2.16424 19.98832 -0.002085 -0.00709 0.006347
C 5.14244 4.71084 19.96902 -0.002719 0.008869 -0.006486
C 5.88064 3.43754 19.98162 -0.008067 0.000461 0.000818
C 7.34705 3.43754 19.98782 -0.007847 0.006627 0.005443
C 8.08525 4.71084 19.98796 0.000974 3.6e-05 0.004884
C 5.14244 7.25743 19.9752 -0.000983 0.013907 -0.003433
C 5.88064 5.98413 19.97524 0.00211 -0.009195 -0.00355
C 7.34705 5.98413 19.98548 -0.011966 0.005633 0.003448
C 8.08525 7.25743 19.98905 9.9e-05 -0.012335 0.006361
C 5.14244 9.80403 19.98673 0.00931 0.01207 0.004005
C 5.88064 8.53073 19.98486 -0.014544 -0.017955 0.003015
C 7.34705 8.53073 19.98848 0.003948 0.009572 0.005822
C 8.08525 9.80403 19.98495 -0.003524 0.001662 0.003035
C 5.14244 12.35062 19.9836 -0.008157 0.006149 0.001994
C 5.88064 11.07732 19.98258 0.007086 -0.008385 0.001528
C 7.34705 11.07732 19.9755 -0.008252 0.008873 -0.002123
C 8.08525 12.35062 19.96429 -0.008751 0.002355 -0.007639
C 5.14244 14.89722 19.98697 0.001495 -0.001048 0.004995
C 5.88064 13.62392 19.97966 0.011063 -0.009971 -0.000208
C 7.34705 13.62392 19.96819 -0.000414 -0.002344 -0.006097
C 8.08525 14.89722 19.97352 0.002895 -0.007996 -0.003293
C 1.68988 0.00084 28.13295 -0.004891 0.00465 0.000853
C 2.47167 14.17967 27.97504 0.009238 -0.005298 -0.000429
C 7.32905 14.18674 23.34233 0.034204 -0.019812 -0.000406
C 2.23224 13.02117 28.78128 -0.001716 -0.001122 -0.000683
C 8.68623 13.7444 23.08858 -0.025117 -0.045163 -0.000171
C 3.09127 13.80503 26.65633 0.003635 0.005215 0.002892
C 2.03418 12.33245 24.28426 0.019053 -0.006696 -0.000698
C 1.60015 0.20954 25.6456 -0.005618 0.014368 0.003903
C 7.10615 0.00882 24.18089 -0.002122 0.023827 -0.001488
C 0.69103 0.28169 24.51807 0.013921 0.020921 -0.001542
C 7.32908 11.85592 23.3411 0.00758 0.009415 -0.000622
C 2.41478 14.41952 25.50435 0.002013 -0.017183 -0.002522
C 0.94424 14.43547 23.66493 0.022624 0.002907 0.000216
C 6.1346 0.20959 27.63378 0.002837 -4.7e-05 7.2e-05
C 5.31992 14.41955 27.77422 0.005855 -0.006234 -0.000948
C 0.94424 11.60712 23.66396 0.03797 -0.018491 -7.9e-05
C 7.04378 0.28158 28.76204 -0.008168 -0.004066 -0.00097
C 4.64344 13.80508 26.62188 -0.000153 0.000561 -0.001327
C 8.68625 12.29826 23.08739 -0.013692 0.072254 -0.000372
C 2.03414 13.71004 24.28454 0.032573 0.007789 0.001024
C 1.33051 0.86861 26.95244 0.00913 0.004837 -0.003532
C 8.69681 1.0778 27.16287 -0.006367 -0.0057 0.007991
C 6.04495 0.00086 25.14645 -0.006499 0.013858 0.000624
C 7.1062 10.75429 24.18041 -0.003647 -0.016518 -0.001992
C 6.40441 0.86857 26.32694 -0.009384 0.006684 -0.000418
C 8.2197 0.69743 24.76949 0.000799 0.014509 0.002495
C 7.85659 1.07771 26.11641 0.003882 -0.004366 -0.008256
C 8.21971 10.06562 24.76915 0.005544 -0.018697 0.000626
C 1.23867 13.02115 29.77547 -1.2e-05 -0.000569 0.000442
C 5.26305 14.17973 25.30339 -0.012367 -0.005303 -0.002176
C 6.09937 3.12226 25.14644 0.004575 -0.014274 -0.000554
C 6.88132 4.22289 25.3035 0.013128 0.004625 -0.00137
C 2.92017 4.21595 29.93945 0.006143 -0.00479 5.6e-05
C 6.64186 5.38146 24.49673 0.016446 -0.002909 -0.001258
C 4.27737 4.65832 30.19896 0.017396 -0.002617 -0.00052
C 7.50088 4.5975 26.62198 0.00137 -0.001895 0.00215
C 6.44373 6.07016 28.99415 -0.001528 -0.002241 -0.001303
C 6.0097 2.91348 27.63375 -0.002777 -0.001178 0.000852
C 2.69723 3.11429 29.09859 0.010097 -0.001706 0.000253
C 5.10054 2.8414 28.76202 0.009322 0.003277 -0.001089
C 2.92014 6.54677 29.93941 0.005858 0.004869 -8e-05
C 6.82441 3.98302 27.77428 -0.004929 0.005581 -0.002868
C 5.3538 3.96725 29.61597 0.0077 0.005736 -0.000551
C 1.72559 2.91342 25.64531 0.011139 -0.016983 -0.002162
C 0.91102 3.98306 25.50418 -0.006779 0.020445 0.002827
C 5.35377 6.7955 29.61594 0.005893 -0.004939 -0.000801
C 2.63479 2.84147 24.5177 -0.010454 -0.026448 0.001228
C 0.23456 4.59749 26.65644 -0.002205 -0.005196 -0.002837
C 4.27733 6.10443 30.19895 0.018848 0.00416 -0.000675
C 6.44377 4.69258 28.99418 -0.001671 0.002209 -4e-05
C 5.73988 2.25452 26.32689 0.009331 -0.005978 -0.001496
C 4.28771 2.04538 26.11616 -0.011457 0.006184 0.002795
C 1.63599 3.12219 28.13285 0.00378 -0.004661 -0.000511
C 2.6972 7.64846 29.09854 0.010675 0.002047 -0.000218
C 1.99533 2.25441 26.95225 -0.005765 -0.003258 0.00258
C 3.81073 2.42561 28.50976 -0.001299 0.005085 0.000643
C 3.44751 2.04528 27.16289 0.00818 0.00174 -0.002997
C 3.8107 8.33712 28.50968 -0.000416 -0.005037 -0.001132
C 5.64823 5.38152 23.50399 0.003179 -0.004544 -0.000639
C 0.85415 4.22288 27.97504 -0.007753 0.006064 0.001615
C 6.04494 10.76205 25.14571 0.007237 -0.021009 0.001161
C 5.26299 11.86268 25.30301 -0.020481 0.020102 -0.003672
C 0.40568 11.85574 29.93933 -0.006513 -0.00546 -0.000323
C 5.50245 13.02125 24.49638 -0.019246 -0.004526 0.00161
C 7.86694 12.2981 30.1988 -0.019242 -0.004828 -0.000812
C 4.64343 12.23729 26.62168 0.000203 -0.002984 0.002667
C 5.70057 13.70994 28.99415 0.001244 -0.001506 -0.001012
C 6.13461 10.55327 27.63344 0.00438 -0.000669 0.001429
C 0.62862 10.75408 29.09842 -0.011387 -0.002563 0.000137
C 7.04377 10.48118 28.76176 -0.009945 0.002885 -0.001668
C 0.40571 14.18655 29.93951 -0.006214 0.004732 8e-05
C 5.31989 11.6228 27.77404 0.00546 0.006191 -0.003547
C 6.79051 11.60703 29.61576 -0.004438 0.005174 -0.000935
C 1.60026 10.5532 25.64508 -0.010917 -0.012745 -0.00116
C 2.41482 11.62284 25.50395 0.006087 0.016807 0.00247
C 6.79054 14.43528 29.61599 -0.008079 -0.004999 -0.000652
C 0.69105 10.48125 24.51739 0.007785 -0.018436 4e-06
C 3.09128 12.23728 26.65629 0.00237 -0.005782 -0.003546
C 7.86697 13.74421 30.1989 -0.018162 0.0035 -0.000637
C 5.70054 12.33236 28.99399 0.001022 0.002029 -0.00033
C 6.40443 9.8943 26.32653 -0.008527 -0.00463 -0.002881
C 7.85659 9.68517 26.11591 0.007872 0.008758 -0.003505
C 1.68985 10.76198 28.13268 -0.005139 -0.004618 -0.001011
C 0.62864 0.00868 29.0987 -0.010227 0.002264 -0.000137
C 1.33052 9.8942 26.95205 0.007016 -0.003062 0.000369
C 8.33358 10.06539 28.50955 0.001287 0.004333 -0.001425
C 8.6968 9.68506 27.16256 -0.008046 0.001898 0.002668
C 8.3336 0.69734 28.50995 0.000282 -0.002457 -0.001955
C 6.49607 13.02131 23.50271 -0.013194 -0.001152 -0.001891
C 2.4717 11.86266 27.97493 0.007841 0.007295 0.001832
C 1.63596 7.64063 28.13278 0.004438 0.005228 0.000306
C 0.85418 6.53989 27.97501 -0.008162 -0.006282 -0.000275
C 4.81526 6.54695 23.34125 -0.015584 -0.016256 -0.000845
C 1.09361 5.38139 28.78132 0.001221 0.001469 -0.000154
C 3.45807 6.10462 23.08802 0.025691 -0.048351 -0.000396
C 0.23458 6.16524 26.65635 -0.002326 0.005219 0.002117
C 1.29167 4.69267 24.28484 -0.026098 0.005176 -0.000354
C 1.7257 7.84932 25.64527 0.011473 0.017704 0.000697
C 5.03816 7.64861 24.18062 -0.005621 0.027507 -0.000314
C 2.63482 7.92147 24.51756 -0.019004 0.01007 -0.000174
C 4.81522 4.21613 23.34234 -0.011374 0.005144 -0.000628
C 0.91107 6.77974 25.50418 -0.00326 -0.023149 -0.000939
C 2.38161 6.79568 23.6643 -0.039672 0.023779 -0.000105
C 6.0097 7.84937 27.63376 -0.001853 0.001715 -0.002491
C 6.82439 6.77977 27.77423 -0.005196 -0.005141 0.000856
C 2.38161 3.96733 23.66443 -0.03353 -0.008894 7.4e-05
C 5.10053 7.92136 28.76196 0.009195 -0.003074 -0.000171
C 7.50087 6.1653 26.62203 0.001795 0.001693 -0.00299
C 3.45805 4.65847 23.08873 0.022802 0.044874 -0.000275
C 1.2917 6.07025 24.28469 -0.029047 0.000721 0.000613
C 1.99534 8.5084 26.95218 -0.008942 0.004859 -0.000992
C 3.4475 8.71759 27.16271 0.008561 -0.003808 0.002462
C 6.09936 7.64064 25.14633 0.006244 0.007275 -0.001515
C 5.03811 3.1145 24.18102 0.000202 -0.018612 -0.000152
C 5.7399 8.50836 26.32674 0.006969 0.005116 0.00119
C 3.92461 8.33721 24.76911 0.012908 0.01976 3.9e-05
C 4.28772 8.7175 26.11606 -0.010543 -0.007217 -0.003234
C 3.9246 2.42583 24.76948 -0.005639 -0.02103 -0.001241
C 2.08718 5.38136 29.77548 -0.000569 0.000317 0.000365
C 6.88126 6.53994 25.30354 0.013148 0.002195 0.00021
168
energy=-1515.04392027 config_type=nep2xyz pbc="T T T" virial="-38.2966552805859 -0.059458367719153825 -0.0060551661609322145 -0.059458367719153825 -43.57865241234409 0.01370822339211043 -0.0060551661609322145 0.01370822339211043 -4.931512340429223" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98705 0.011945 0.009686 0.003546
C 1.47141 0.89094 19.98308 -0.008493 -0.01656 0.001625
C 2.93782 0.89094 19.98785 -0.008315 0.001297 0.00394
C 3.67602 2.16424 19.98522 -0.003501 0.011042 0.002215
C 0.73321 4.71084 19.98607 -0.000839 0.002102 0.002197
C 1.47141 3.43754 19.98409 0.009704 -0.012075 0.001531
C 2.93782 3.43754 19.97526 0.003714 0.013432 -0.001989
C 3.67602 4.71084 19.96194 -0.008728 -0.016444 -0.007271
C 0.73321 7.25743 19.98784 0.001539 -0.001757 0.003506
C 1.47141 5.98413 19.97981 0.025181 -0.002986 -0.000887
C 2.93782 5.98413 19.96327 -0.012543 0.011786 -0.006885
C 3.67602 7.25743 19.96775 -0.013294 0.002701 -0.005384
C 0.73321 9.80403 19.98623 0.010872 0.007499 0.002863
C 1.47141 8.53073 19.98739 0.001114 0.003904 0.003159
C 2.93782 8.53073 19.98155 0.010327 -0.018633 0.000245
C 3.67602 9.80403 19.98709 -0.002527 -0.003747 0.003216
C 0.73321 12.35062 19.96638 0.016166 -0.004654 -0.005152
C 1.47141 11.07732 19.97877 -0.003771 0.010232 -6.8e-05
C 2.93782 11.07732 19.98602 -0.016687 0.001973 0.003048
C 3.67602 12.35062 19.98712 0.010034 0.001452 0.003598
C 0.73321 14.89722 19.97186 0.00695 0.003206 -0.00321
C 1.47141 13.62392 19.97071 0.00387 -0.003767 -0.003875
C 2.93782 13.62392 19.98382 -0.017909 0.002949 0.001752
C 3.67602 14.89722 19.98873 0.002462 -0.009104 0.004813
C 5.14244 2.16424 19.98666 0.005314 0.007099 0.00328
C 5.88064 0.89094 19.9882 0.002261 0.000223 0.004868
C 7.34705 0.89094 19.98339 0.007055 -0.009794 0.002478
C 8.08525 2.16424 19.98809 -0.00244 -0.004635 0.004631
C 5.14244 4.71084 19.96737 0.003807 0.005469 -0.005645
C 5.88064 3.43754 19.98112 -0.006865 0.00743 0.000589
C 7.34705 3.43754 19.98782 -0.008114 0.003202 0.004337
C 8.08525 4.71084 19.98831 0.001703 0.0042 0.004099
C 5.14244 7.25743 19.97178 0.000841 0.010118 -0.003928
C 5.88064 5.98413 19.97255 -0.00109 -0.007725 -0.00391
C 7.34705 5.98413 19.98474 -0.011352 0.002588 0.002263
C 8.08525 7.25743 19.98926 9.7e-05 -0.010903 0.005043
C 5.14244 9.80403 19.98731 0.006116 0.004977 0.003743
C 5.88064 8.53073 19.98372 -0.013162 -0.016228 0.002031
C 7.34705 8.53073 19.98874 0.000288 0.005067 0.004829
C 8.08525 9.80403 19.98636 -0.003112 0.002697 0.003349
C 5.14244 12.35062 19.98625 -0.005758 0.005803 0.003292
C 5.88064 11.07732 19.98546 0.009273 -0.003896 0.003053
C 7.34705 11.07732 19.97856 -0.004618 0.010678 -3.4e-05
C 8.08525 12.35062 19.9658 -0.008689 0.007654 -0.005295
C 5.14244 14.89722 19.98807 -0.00158 -0.00386 0.004698
C 5.88064 13.62392 19.98193 0.013112 -0.005792 0.001208
C 7.34705 13.62392 19.96927 0.00418 -0.004602 -0.004316
C 8.08525 14.89722 19.97131 -1.1e-05 -0.005047 -0.003163
C 1.92744 0.2384 28.13289 -0.005289 0.005034 0.000146
C 2.70923 14.41723 27.97501 0.008411 -0.005366 -0.000374
C 7.56661 14.4243 23.34203 0.028667 -0.017815 -0.001191
C 2.4698 13.25873 28.78125 -0.002432 -0.00069 0.001739
C 0.10533 13.98197 23.08735 -0.02527 -0.044619 -0.000372
C 3.32883 14.04259 26.65634 0.002782 0.004826 -0.001526
C 2.27174 12.57001 24.28406 0.016328 -0.015813 0.000583
C 1.83771 0.4471 25.64553 -0.007677 0.012007 -0.002225
C 7.34371 0.24638 24.18079 -0.000477 0.019068 0.001364
C 0.92859 0.51925 24.51788 0.013769 0.015264 0.001217
C 7.56664 12.09348 23.3414 0.008216 0.005573 -0.001343
C 2.65234 14.65708 25.50414 0.002218 -0.017208 0.001899
C 1.1818 14.67303 23.66464 0.03041 0.003178 -0.000349
C 6.37217 0.44715 27.63383 0.002719 0.00063 -0.002457
C 5.55748 14.65712 27.77428 0.005853 -0.006485 -9.8e-05
C 1.1818 11.84468 23.664 0.038909 -0.011356 -0.000335
C 7.28134 0.51914 28.76202 -0.007659 -0.003557 0.00015
C 4.881 14.04264 26.62195 -0.000567 0.000962 -0.001135
C 0.10535 12.53582 23.08666 -0.015064 0.062502 -0.000437
C 2.2717 13.9476 24.28424 0.024946 0.018152 -0.000574
C 1.56807 1.10618 26.9523 0.00936 0.005678 0.000752
C 0.11591 1.31536 27.16287 -0.006488 -0.004868 0.003713
C 6.28251 0.23842 25.14647 -0.004053 0.012487 -0.003044
C 7.34376 10.99185 24.18056 -0.003333 -0.012128 0.001199
C 6.64197 1.10614 26.3269 -0.009283 0.006935 0.002029
C 8.45726 0.93499 24.76947 0.000676 0.012302 -0.000551
C 8.09415 1.31527 26.11636 0.005122 -0.004587 -0.004216
C 8.45727 10.30318 24.76935 0.009122 -0.017078 0.000157
C 1.47623 13.25871 29.77551 0.002078 0.000129 -0.00065
C 5.50061 14.41729 25.3034 -0.013479 -0.005122 0.002056
C 6.33693 3.35982 25.14647 0.004311 -0.013042 -0.000439
C 7.11888 4.46045 25.30354 0.013087 0.004858 2e-06
C 3.15773 4.45351 29.93941 0.005097 -0.004437 8.4e-05
C 6.87942 5.61902 24.4969 0.013918 -0.00337 -0.000697
C 4.51493 4.89588 30.19894 0.016995 -0.003304 -0.00035
C 7.73844 4.83506 26.62204 0.00316 -0.001763 -0.002357
C 6.68129 6.30772 28.9942 -0.001563 -0.002109 -0.000673
C 6.24726 3.15104 27.63378 -0.002975 -0.00224 -0.001713
C 2.93479 3.35185 29.09856 0.009761 -0.001783 -0.000386
C 5.3381 3.07896 28.76198 0.009792 0.003046 0.00023
C 3.1577 6.78433 29.93945 0.005101 0.005155 -5.2e-05
C 7.06197 4.22058 27.77424 -0.005247 0.006098 0.001115
C 5.59136 4.20481 29.61597 0.006149 0.005055 -0.000646
C 1.96315 3.15098 25.64514 0.013121 -0.018662 0.002763
C 1.14858 4.22062 25.50409 -0.006127 0.022753 -0.002296
C 5.59133 7.03306 29.616 0.006124 -0.00518 -0.000704
C 2.87236 3.07903 24.5177 -0.007507 -0.024196 -0.001174
C 0.47212 4.83506 26.65627 -0.002267 -0.004527 0.002883
C 4.5149 6.34199 30.19899 0.018992 0.004444 -0.000399
C 6.68133 4.93014 28.9942 -0.001513 0.001717 -0.000979
C 5.97744 2.49208 26.32691 0.008026 -0.006358 -0.000222
C 4.52527 2.28294 26.11619 -0.008828 0.006564 -8.3e-05
C 1.87355 3.35975 28.13275 0.004412 -0.00419 0.001354
C 2.93477 7.88603 29.09861 0.009609 0.002404 -0.000142
C 2.23289 2.49197 26.95223 -0.007393 -0.002553 -0.002094
C 4.04829 2.66317 28.50976 -0.002528 0.004662 -0.000329
C 3.68507 2.28284 27.16285 0.006261 0.001845 0.000154
C 4.04826 8.57468 28.50978 -0.000437 -0.004402 0.000311
C 5.88579 5.61909 23.50412 0.009059 -0.003151 -0.000623
C 1.09171 4.46044 27.97501 -0.008752 0.005596 -0.001777
C 6.2825 10.99961 25.146 0.007105 -0.019143 -0.003449
C 5.50055 12.10024 25.30309 -0.019809 0.017468 0.002932
C 0.64324 12.0933 29.93939 -0.005105 -0.005642 2.3e-05
C 5.74001 13.25881 24.49655 -0.011508 -0.003822 -0.005017
C 8.1045 12.53566 30.19881 -0.01783 -0.003932 -0.000668
C 4.88099 12.47485 26.62185 -0.000116 -0.001803 -0.003922
C 5.93814 13.9475 28.9942 0.000531 -0.001908 -0.000771
C 6.37217 10.79083 27.63362 0.003923 -0.002411 -0.003371
C 0.86618 10.99164 29.09853 -0.011116 -0.002632 -0.000921
C 7.28133 10.71874 28.76185 -0.008738 0.002551 0.000188
C 0.64327 14.42411 29.93949 -0.004943 0.004244 6.5e-05
C 5.55745 11.86036 27.77408 0.006025 0.006921 0.001404
C 7.02807 11.84459 29.61585 -0.00619 0.005502 -0.000729
C 1.83782 10.79076 25.6451 -0.0107 -0.013014 0.001716
C 2.65239 11.8604 25.50397 0.003869 0.017116 -0.002134
C 7.0281 14.67284 29.61599 -0.00695 -0.005335 -0.000617
C 0.92861 10.71881 24.5175 0.005748 -0.016884 -0.000531
C 3.32885 12.47484 26.65619 0.002355 -0.004853 0.00292
C 8.10453 13.98177 30.19886 -0.01786 0.004254 -0.000581
C 5.9381 12.56992 28.99408 0.000711 0.000996 -0.001271
C 6.64199 10.13186 26.32663 -0.009488 -0.005487 0.002821
C 8.09415 9.92273 26.11614 0.006794 0.008401 -0.007079
C 1.92742 10.99954 28.13273 -0.005307 -0.003969 0.001219
C 0.8662 0.24624 29.09866 -0.010553 0.00244 -0.000425
C 1.56808 10.13176 26.95216 0.006604 -0.002864 -0.002794
C 8.57114 10.30295 28.50971 0.001351 0.003238 -0.002092
C 0.1159 9.92262 27.16268 -0.005519 0.002118 0.006566
C 8.57116 0.9349 28.5099 0.000603 -0.002407 -0.00154
C 6.73364 13.25887 23.50276 -0.018893 -0.001422 0.000784
C 2.70926 12.10022 27.97498 0.008664 0.006568 -0.002104
C 1.87352 7.87819 28.13281 0.004704 0.004549 0.000388
C 1.09174 6.77745 27.97499 -0.008797 -0.006378 -0.000665
C 5.05282 6.78451 23.34196 -0.019921 -0.018499 -0.000379
C 1.33117 5.61895 28.78124 0.002205 0.000944 0.001703
C 3.69564 6.34218 23.08791 0.031659 -0.049261 -0.000389
C 0.47214 6.4028 26.65633 -0.002611 0.005028 -0.000109
C 1.52923 4.93023 24.28453 -0.022713 -0.00412 0.000807
C 1.96326 8.08688 25.64531 0.012663 0.01804 0.000354
C 5.27572 7.88617 24.18085 -0.002622 0.025656 -0.000843
C 2.87238 8.15903 24.51775 -0.015728 0.013565 -0.000429
C 5.05278 4.45369 23.34242 -0.010671 0.007182 -0.000422
C 1.14863 7.0173 25.50411 -0.00495 -0.024278 5.5e-05
C 2.61917 7.03324 23.6643 -0.042323 0.017485 0.000128
C 6.24726 8.08693 27.63384 -0.001471 0.001527 -0.001071
C 7.06195 7.01733 27.77432 -0.005226 -0.005127 -0.000126
C 2.61917 4.2049 23.66418 -0.04272 -0.010593 0.000172
C 5.33809 8.15892 28.76202 0.0076 -0.002882 -6.9e-05
C 7.73843 6.40286 26.62208 0.003165 0.001913 -0.000383
C 3.69561 4.89603 23.0881 0.025943 0.053079 -0.000351
C 1.52926 6.30781 24.2845 -0.026995 0.00973 2.3e-05
C 2.2329 8.74596 26.95222 -0.008221 0.00556 0.000334
C 3.68506 8.95515 27.16289 0.008977 -0.003206 -0.003343
C 6.33692 7.8782 25.14653 0.009708 0.006741 -0.000223
C 5.27567 3.35206 24.18104 0.002303 -0.017108 -0.000694
C 5.97746 8.74592 26.3269 0.007201 0.005753 -0.001188
C 4.16217 8.57477 24.76934 0.004892 0.017186 -0.000843
C 4.52528 8.95506 26.11616 -0.009594 -0.005585 0.003
C 4.16216 2.66339 24.7695 -0.009933 -0.020281 1.3e-05
C 2.32474 5.61892 29.77546 -0.001945 0.000376 -0.000396
C 7.11882 6.7775 25.3037 0.010883 0.003493 -0.000595
168
energy=-1515.04299646 config_type=nep2xyz pbc="T T T" virial="-38.32402967760512 -0.0031537323754855283 -0.004499324855692687 -0.0031537323754855283 -43.60068648920748 0.005760817805886898 -0.004499324855692687 0.005760817805886898 -4.888915928477665" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.9864 0.007174 0.000824 0.00398
C 1.47141 0.89094 19.98071 -0.00758 -0.017621 0.000273
C 2.93782 0.89094 19.98672 -0.00953 0.001473 0.004057
C 3.67602 2.16424 19.98586 -0.005113 0.006995 0.003488
C 0.73321 4.71084 19.98697 -0.004161 0.001061 0.004065
C 1.47141 3.43754 19.98561 0.010771 -0.004851 0.003211
C 2.93782 3.43754 19.97832 0.006172 0.015918 -0.001186
C 3.67602 4.71084 19.96549 -0.014513 -0.010413 -0.008494
C 0.73321 7.25743 19.98755 -0.002588 -0.002243 0.00465
C 1.47141 5.98413 19.98156 0.02681 -7e-05 -5.5e-05
C 2.93782 5.98413 19.96599 -0.012148 0.00314 -0.008185
C 3.67602 7.25743 19.96742 -0.014268 0.005739 -0.007463
C 0.73321 9.80403 19.98601 0.007185 0.005482 0.003643
C 1.47141 8.53073 19.98655 0.007637 0.003059 0.003817
C 2.93782 8.53073 19.98025 0.007903 -0.018355 -0.000196
C 3.67602 9.80403 19.98633 -0.004977 -0.00162 0.003863
C 0.73321 12.35062 19.96647 0.014713 -0.008251 -0.007901
C 1.47141 11.07732 19.97893 -0.006061 0.014849 -0.0007
C 2.93782 11.07732 19.98589 -0.012644 -0.002275 0.003541
C 3.67602 12.35062 19.98715 0.005765 0.001712 0.004446
C 0.73321 14.89722 19.96838 0.013422 0.004632 -0.00679
C 1.47141 13.62392 19.96764 0.009999 0.001715 -0.007351
C 2.93782 13.62392 19.98238 -0.02486 0.000434 0.000693
C 3.67602 14.89722 19.98771 0.003698 -0.003714 0.005033
C 5.14244 2.16424 19.98659 0.003448 0.003961 0.00436
C 5.88064 0.89094 19.98749 0.005383 0.001234 0.005593
C 7.34705 0.89094 19.98201 0.005696 -0.01247 0.001712
C 8.08525 2.16424 19.98701 -0.002776 -0.001867 0.00497
C 5.14244 4.71084 19.96827 0.004904 0.003404 -0.007204
C 5.88064 3.43754 19.98109 -0.004659 0.011418 0.000799
C 7.34705 3.43754 19.98718 -0.007818 -0.000306 0.005237
C 8.08525 4.71084 19.98779 0.00291 0.006638 0.005375
C 5.14244 7.25743 19.96989 0.003093 0.000443 -0.00626
C 5.88064 5.98413 19.97141 -0.004371 -0.002254 -0.006023
C 7.34705 5.98413 19.98368 -0.012562 0.00045 0.002307
C 8.08525 7.25743 19.98819 0.002085 -0.008164 0.005852
C 5.14244 9.80403 19.98691 0.003407 -0.000627 0.004773
C 5.88064 8.53073 19.98218 -0.007784 -0.013394 0.001643
C 7.34705 8.53073 19.98768 -0.004831 0.001474 0.005669
C 8.08525 9.80403 19.98661 -0.002923 0.003894 0.004498
C 5.14244 12.35062 19.98745 -0.003772 0.00633 0.005289
C 5.88064 11.07732 19.98686 0.008388 -0.001127 0.004947
C 7.34705 11.07732 19.98076 0.002052 0.01143 0.000715
C 8.08525 12.35062 19.96812 -0.005559 0.005391 -0.007
C 5.14244 14.89722 19.98791 -0.002829 -0.007 0.005816
C 5.88064 13.62392 19.98317 0.013145 -0.00041 0.001976
C 7.34705 13.62392 19.97081 0.005232 -0.00204 -0.006094
C 8.08525 14.89722 19.96981 -0.003359 -0.002756 -0.006044
C 2.165 0.47596 28.13279 -0.003921 0.003944 0.001604
C 2.94679 14.65479 27.97495 0.008689 -0.006064 -0.002223
C 7.80417 14.66186 23.34224 0.020523 -0.015345 -0.00128
C 2.70736 13.49629 28.78116 -0.002861 -0.000157 0.003978
C 0.34289 14.21953 23.08706 -0.027412 -0.049095 -0.000301
C 3.56639 14.28015 26.65622 0.002242 0.004468 0.00059
C 2.5093 12.80757 24.28402 0.01756 -0.019568 0.000914
C 2.07527 0.68466 25.64537 -0.010277 0.014835 0.00013
C 7.58127 0.48394 24.18095 -0.001179 0.016665 0.001587
C 1.16615 0.75681 24.51784 0.009966 0.015716 0.000483
C 7.8042 12.33104 23.34209 0.012238 0.010006 -0.001319
C 2.8899 14.89464 25.50401 0.003874 -0.019946 0.000123
C 1.41936 14.91059 23.66433 0.040558 0.00753 -8.8e-05
C 6.60973 0.68471 27.63397 0.002618 0.000546 -0.001181
C 5.79504 14.89468 27.77442 0.003985 -0.006646 -0.000784
C 1.41936 12.08224 23.66408 0.042776 -0.009148 -9e-06
C 7.5189 0.7567 28.76219 -0.007435 -0.002895 -0.000343
C 5.11856 14.2802 26.62209 -0.002171 0.001165 -0.001086
C 0.34292 12.77338 23.08686 -0.023981 0.054563 -0.000416
C 2.50926 14.18516 24.28411 0.021265 0.020801 0.000273
C 1.80563 1.34374 26.95229 0.007881 0.005882 -0.000343
C 0.35347 1.55292 27.16299 -0.006922 -0.003228 0.000426
C 6.52007 0.47598 25.14663 -0.003795 0.011836 -0.003155
C 7.58132 11.22941 24.18086 -0.002586 -0.014267 0.001852
C 6.87953 1.3437 26.32706 -0.009201 0.007058 0.000373
C 8.69482 1.17255 24.76961 0.004466 0.013849 -0.001444
C 8.33171 1.55283 26.1164 0.006172 -0.004879 0.0
C 8.69483 10.54074 24.76954 0.008924 -0.01553 -0.002359
C 1.71379 13.49627 29.77546 0.002427 0.000618 -0.001107
C 5.73817 14.65485 25.30359 -0.013454 -0.003528 0.002958
C 6.57449 3.59738 25.14652 0.003063 -0.012954 -0.00315
C 7.35644 4.69801 25.30353 0.013469 0.005867 0.003443
C 3.39529 4.69107 29.9394 0.00412 -0.004244 0.000231
C 7.11698 5.85658 24.497 0.011527 -0.001509 -0.005373
C 4.75249 5.13344 30.19899 0.016768 -0.004114 -0.000482
C 7.976 5.07262 26.62211 0.002594 -0.001181 -0.00505
C 6.91885 6.54528 28.99431 -0.000712 -0.001484 -0.00051
C 6.48482 3.3886 27.63387 -0.003039 -0.002369 -0.003978
C 3.17235 3.58941 29.09856 0.008522 -0.001658 -0.000967
C 5.57566 3.31652 28.76202 0.007526 0.002949 0.001053
C 3.39526 7.02189 29.93944 0.004784 0.004423 0.000305
C 7.29953 4.45814 27.77431 -0.004369 0.006502 0.0028
C 5.82892 4.44237 29.61605 0.006137 0.004496 -0.000911
C 2.20071 3.38854 25.64508 0.012363 -0.017832 0.00461
C 1.38614 4.45818 25.50394 -0.005569 0.022514 -0.003968
C 5.82889 7.27062 29.61611 0.006677 -0.005039 -0.000776
C 3.10992 3.31659 24.51771 -0.007475 -0.018926 -0.001493
C 0.70968 5.07262 26.65613 -0.002365 -0.00437 0.005068
C 4.75246 6.57955 30.19903 0.017541 0.004601 -0.000505
C 6.91889 5.1677 28.99429 -0.000962 0.001528 -0.001619
C 6.215 2.72964 26.32693 0.008943 -0.007268 0.001841
C 4.76284 2.5205 26.11623 -0.00778 0.005563 0.000792
C 2.11111 3.59731 28.1327 0.005197 -0.003173 0.002846
C 3.17233 8.12359 29.09863 0.008003 0.00197 -0.001084
C 2.47045 2.72954 26.95223 -0.00713 -0.00375 -0.003713
C 4.28585 2.90073 28.50981 -0.00146 0.003335 -0.000635
C 3.92263 2.5204 27.16287 0.00575 0.002141 9.4e-05
C 4.28583 8.81224 28.50991 -0.000909 -0.003248 -0.000893
C 6.12335 5.85665 23.50382 0.016154 -0.001181 0.000994
C 1.32927 4.698 27.97494 -0.008108 0.005715 -0.003929
C 6.52006 11.23717 25.14642 0.0005 -0.014773 -0.004128
C 5.73811 12.3378 25.30344 -0.014928 0.008334 0.004402
C 0.8808 12.33086 29.93942 -0.004796 -0.005137 0.000186
C 5.97757 13.49637 24.4969 -0.010065 -0.002079 -0.006819
C 8.34206 12.77322 30.199 -0.015506 -0.004468 -0.00055
C 5.11855 12.71241 26.62209 -0.00221 -0.001046 -0.005436
C 6.1757 14.18506 28.99431 0.000855 -0.001835 -0.000583
C 6.60973 11.02839 27.63386 0.003926 -0.002757 -0.003745
C 1.10374 11.2292 29.09855 -0.008805 -0.001744 -0.000912
C 7.51889 10.9563 28.76204 -0.008493 0.003416 0.000629
C 0.88083 14.66167 29.93947 -0.004212 0.004683 0.000264
C 5.79502 12.09792 27.7743 0.0052 0.006719 0.002435
C 7.26563 12.08216 29.61607 -0.006099 0.004579 -0.000881
C 2.07538 11.02832 25.64513 -0.012136 -0.014615 0.001538
C 2.88995 12.09796 25.5039 0.004458 0.020006 -0.00218
C 7.26566 14.9104 29.61615 -0.006968 -0.005911 -0.000708
C 1.16617 10.95637 24.51766 0.008082 -0.016826 -1.7e-05
C 3.56641 12.7124 26.65614 0.002187 -0.004251 0.00386
C 8.34209 14.21933 30.19901 -0.016315 0.004427 -0.00054
C 6.17566 12.80749 28.99431 0.000672 0.000716 -0.001615
C 6.87955 10.36942 26.32689 -0.009215 -0.006648 0.001949
C 8.33172 10.16029 26.11622 0.007597 0.006478 0.002168
C 2.16498 11.2371 28.13271 -0.004965 -0.003375 0.002034
C 1.10376 0.4838 29.09864 -0.008122 0.001562 -0.000924
C 1.80564 10.36932 26.95219 0.00671 -0.003987 -0.001204
C 8.8087 10.54051 28.50982 0.00122 0.003025 -0.000358
C 0.35346 10.16018 27.16288 -0.007618 0.00196 -0.001467
C 8.80872 1.17246 28.50995 7.1e-05 -0.003062 -0.000519
C 6.9712 13.49643 23.50343 -0.019278 -0.001292 0.001512
C 2.94682 12.33778 27.97495 0.008098 0.005775 -0.003304
C 2.11108 8.11575 28.13278 0.005572 0.003716 0.002349
C 1.3293 7.01501 27.97495 -0.007881 -0.005378 -0.002715
C 5.29038 7.02207 23.34235 -0.018896 -0.015777 -0.001037
C 1.56873 5.85651 28.78113 0.002973 -0.000498 0.004309
C 3.9332 6.57974 23.08735 0.030126 -0.049195 -0.000293
C 0.7097 6.64036 26.65621 -0.002337 0.004806 0.001252
C 1.76679 5.16779 24.28411 -0.019725 -0.016045 0.001311
C 2.20082 8.32444 25.64531 0.011194 0.017464 0.002611
C 5.51328 8.12373 24.18098 0.001066 0.019024 0.000988
C 3.10994 8.39659 24.51787 -0.010105 0.016098 -0.00065
C 5.29035 4.69126 23.34238 -0.01239 0.011248 -0.001058
C 1.38619 7.25486 25.50402 -0.004238 -0.022313 -0.001209
C 2.85673 7.2708 23.66428 -0.042974 0.010333 7.7e-05
C 6.48482 8.32449 27.63394 -0.002205 0.001018 -0.001335
C 7.29951 7.25489 27.77442 -0.003841 -0.006533 -0.000724
C 2.85673 4.44246 23.66407 -0.044608 -0.010436 0.00023
C 5.57565 8.39648 28.76212 0.007592 -0.002477 -0.000234
C 7.97599 6.64042 26.62211 0.002847 0.001621 -0.000912
C 3.93317 5.1336 23.08725 0.027394 0.054014 -0.000348
C 1.76682 6.54537 24.28419 -0.022677 0.018017 0.000534
C 2.47046 8.98352 26.95231 -0.007968 0.005195 -0.00263
C 3.92262 9.19271 27.16296 0.006011 -0.003156 0.002106
C 6.57448 8.11577 25.14667 0.006417 0.010149 -0.002492
C 5.51323 3.58962 24.18099 0.003038 -0.016131 0.000703
C 6.21502 8.98348 26.32706 0.008247 0.006872 0.00032
C 4.39973 8.81233 24.76959 -0.004328 0.015592 -0.000865
C 4.76284 9.19262 26.11638 -0.007059 -0.004827 -0.001178
C 4.39972 2.90095 24.76956 -0.009831 -0.016993 -0.001283
C 2.5623 5.85648 29.77542 -0.002877 -7.5e-05 -0.001224
C 7.35638 7.01507 25.30368 0.012085 -0.000967 0.002066
168
energy=-1515.04329325 config_type=nep2xyz pbc="T T T" virial="-38.31637662037394 -0.011017038431696111 0.017492702242693062 -0.011017038431696111 -43.599424996257284 0.004204976500647371 0.017492702242693062 0.004204976500647371 -4.895097243933618" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98583 0.00381 -0.006045 0.003532
C 1.47141 0.89094 19.97811 -0.005891 -0.01766 -0.001387
C 2.93782 0.89094 19.98552 -0.008885 0.006545 0.003136
C 3.67602 2.16424 19.98648 -0.009215 -0.000769 0.004124
C 0.73321 4.71084 19.98779 -0.004471 0.004408 0.0053
C 1.47141 3.43754 19.98684 0.01094 -0.000949 0.004372
C 2.93782 3.43754 19.98105 0.007862 0.016014 0.000624
C 3.67602 4.71084 19.96912 -0.012059 -0.005596 -0.006407
C 0.73321 7.25743 19.98732 -0.00675 -0.00316 0.004845
C 1.47141 5.98413 19.98302 0.022289 0.000501 0.001311
C 2.93782 5.98413 19.96906 -0.007451 0.001508 -0.006666
C 3.67602 7.25743 19.96744 -0.015083 0.0051 -0.007047
C 0.73321 9.80403 19.9863 0.00357 0.005267 0.003767
C 1.47141 8.53073 19.9862 0.013354 4.5e-05 0.003955
C 2.93782 8.53073 19.97961 0.005621 -0.014828 -4.7e-05
C 3.67602 9.80403 19.98618 -0.009121 -0.002065 0.003854
C 0.73321 12.35062 19.96668 0.014036 -0.008389 -0.008193
C 1.47141 11.07732 19.97986 -0.008666 0.018098 -0.000646
C 2.93782 11.07732 19.9864 -0.006313 -0.004989 0.003623
C 3.67602 12.35062 19.98735 0.001496 0.001088 0.004365
C 0.73321 14.89722 19.96495 0.014087 0.010528 -0.008985
C 1.47141 13.62392 19.96484 0.013296 -0.001479 -0.008956
C 2.93782 13.62392 19.98092 -0.027416 0.001631 -0.000603
C 3.67602 14.89722 19.98686 0.002866 -0.001427 0.003833
C 5.14244 2.16424 19.98707 0.002595 0.004556 0.005073
C 5.88064 0.89094 19.98742 0.006688 -0.000751 0.005501
C 7.34705 0.89094 19.98139 0.006643 -0.011853 0.000882
C 8.08525 2.16424 19.98659 -0.004293 -0.00223 0.004379
C 5.14244 4.71084 19.96969 0.002822 0.003837 -0.006041
C 5.88064 3.43754 19.98181 -0.004489 0.010962 0.001635
C 7.34705 3.43754 19.98726 -0.005881 -0.001454 0.005394
C 8.08525 4.71084 19.98759 0.003104 0.005389 0.00564
C 5.14244 7.25743 19.96811 0.006315 -0.007935 -0.00684
C 5.88064 5.98413 19.97026 -0.005541 0.003451 -0.006235
C 7.34705 5.98413 19.98267 -0.01399 0.002144 0.001696
C 8.08525 7.25743 19.98715 0.004413 -0.006273 0.005175
C 5.14244 9.80403 19.98665 0.002816 -0.00233 0.00467
C 5.88064 8.53073 19.98055 -0.000305 -0.011666 0.00079
C 7.34705 8.53073 19.9866 -0.008086 0.001163 0.004837
C 8.08525 9.80403 19.98683 -0.004316 0.001605 0.004577
C 5.14244 12.35062 19.98831 -0.001178 0.008237 0.006001
C 5.88064 11.07732 19.98779 0.004447 -0.00183 0.005796
C 7.34705 11.07732 19.98226 0.009681 0.013139 0.00146
C 8.08525 12.35062 19.96993 -0.002406 -0.003903 -0.006622
C 5.14244 14.89722 19.98801 -0.00249 -0.00721 0.005511
C 5.88064 13.62392 19.984 0.012258 0.000745 0.002436
C 7.34705 13.62392 19.97182 0.002983 0.003795 -0.005986
C 8.08525 14.89722 19.96853 -0.004945 -0.002829 -0.007244
C 2.40256 0.71352 28.13276 -0.004846 0.003089 0.002647
C 3.18435 14.89235 27.97491 0.008157 -0.005038 -0.00319
C 8.04173 14.89942 23.34252 0.013309 -0.012265 -0.000755
C 2.94492 13.73385 28.78109 -0.003153 -0.000894 0.003968
C 0.58045 14.45709 23.08759 -0.029665 -0.053179 -0.0003
C 3.80395 14.51771 26.65614 0.001953 0.004941 0.003543
C 2.74686 13.04513 24.28417 0.022697 -0.015175 0.000666
C 2.31283 0.92222 25.64521 -0.012745 0.019264 0.004702
C 7.81883 0.7215 24.18107 -0.002512 0.016475 -7e-06
C 1.40371 0.99437 24.51784 0.007054 0.019756 -0.001751
C 8.04177 12.5686 23.34246 0.017547 0.016784 -0.000726
C 3.12746 15.1322 25.50398 0.005045 -0.023315 -0.003229
C 1.65692 15.14815 23.66411 0.04591 0.011713 0.000276
C 6.84729 0.92227 27.63394 0.002097 0.000964 -0.001157
C 6.0326 15.13224 27.77439 0.003991 -0.006438 0.000208
C 1.65692 12.3198 23.66414 0.044547 -0.013073 0.000293
C 7.75646 0.99426 28.76214 -0.007925 -0.002427 -0.000106
C 5.35612 14.51777 26.62213 -0.002332 0.001755 -0.001912
C 0.58048 13.01094 23.08757 -0.031813 0.050744 -0.000309
C 2.74683 14.42272 24.28421 0.021815 0.014237 0.001149
C 2.04319 1.5813 26.95231 0.007196 0.003713 -0.003973
C 0.59103 1.79048 27.16299 -0.005594 -0.002352 0.001562
C 6.75763 0.71354 25.14665 -0.005907 0.012202 -0.001364
C 7.81888 11.46697 24.18104 -0.001073 -0.021503 0.000182
C 7.11709 1.58126 26.32707 -0.007819 0.007254 -0.000508
C 0.11392 1.41011 24.76963 0.009022 0.017774 -8.8e-05
C 8.56927 1.79039 26.11639 0.007281 -0.005375 -0.000923
C 0.11393 10.7783 24.76949 0.004551 -0.017546 -0.000276
C 1.95135 13.73383 29.77538 0.002953 -0.000564 -0.00108
C 5.97573 14.89241 25.30369 -0.012643 -0.002198 0.001409
C 6.81205 3.83494 25.14646 0.002034 -0.012903 -0.004997
C 7.594 4.93557 25.30341 0.014148 0.007367 0.005018
C 3.63285 4.92863 29.93945 0.004103 -0.005059 0.00016
C 7.35454 6.09414 24.49681 0.010051 0.000974 -0.007599
C 4.99005 5.371 30.19901 0.016181 -0.004606 -0.000624
C 8.21356 5.31018 26.62207 0.001985 -0.00095 -0.005455
C 7.15641 6.78284 28.99425 -0.000758 -0.001944 -0.000798
C 6.72238 3.62616 27.63386 -0.003677 -0.002985 -0.00498
C 3.40991 3.82697 29.09858 0.009186 -0.001663 -0.000667
C 5.81322 3.55408 28.76202 0.007706 0.003424 0.000908
C 3.63282 7.25945 29.93949 0.004072 0.004907 0.000165
C 7.5371 4.6957 27.77428 -0.004918 0.00703 0.002929
C 6.06648 4.67993 29.61607 0.006338 0.005387 -0.000914
C 2.43827 3.6261 25.64525 0.010626 -0.013241 -0.000537
C 1.6237 4.69574 25.50394 -0.003249 0.01918 -0.000477
C 6.06645 7.50818 29.6161 0.006664 -0.005901 -0.000818
C 3.34748 3.55415 24.51771 -0.010885 -0.014233 0.000906
C 0.94724 5.31018 26.65619 -0.002479 -0.004735 0.002183
C 4.99002 6.81711 30.19903 0.01742 0.005118 -0.000621
C 7.15645 5.40526 28.99429 -0.000692 0.000772 -0.001761
C 6.45256 2.9672 26.32687 0.010099 -0.006276 0.003465
C 5.0004 2.75806 26.11624 -0.007011 0.00571 -0.00018
C 2.34867 3.83487 28.13275 0.004075 -0.003982 0.001377
C 3.40989 8.36115 29.09867 0.008143 0.001595 -0.001136
C 2.70801 2.9671 26.95221 -0.007988 -0.005499 0.000143
C 4.52341 3.13829 28.50986 -0.000825 0.002734 -0.001127
C 4.16019 2.75796 27.16286 0.006772 0.002962 0.000595
C 4.52339 9.0498 28.50992 2.8e-05 -0.003125 0.000479
C 6.36092 6.09421 23.50315 0.020298 0.001297 0.001561
C 1.56683 4.93556 27.97497 -0.008017 0.006065 -0.002618
C 6.75762 11.47473 25.14663 -0.00739 -0.009193 -0.002059
C 5.97567 12.57536 25.30368 -0.011064 -0.000198 0.001987
C 1.11836 12.56842 29.93936 -0.0043 -0.003888 0.000238
C 6.21513 13.73393 24.49707 -0.013167 0.001133 -0.00359
C 8.57962 13.01078 30.19898 -0.016632 -0.00366 -0.000441
C 5.35611 12.94997 26.62214 -0.003313 -0.001139 -0.003296
C 6.41326 14.42263 28.99429 0.000377 -0.001827 -0.000782
C 6.84729 11.26595 27.6339 0.003152 -0.002674 -0.003358
C 1.3413 11.46676 29.09853 -0.008089 -0.001892 -0.000775
C 7.75645 11.19386 28.76205 -0.007823 0.002451 0.000662
C 1.11839 14.89924 29.93944 -0.004297 0.004074 0.000282
C 6.03258 12.33548 27.77434 0.004512 0.006519 0.001851
C 7.50319 12.31972 29.61606 -0.006024 0.00477 -0.000833
C 2.31294 11.26588 25.64509 -0.013945 -0.018709 0.002983
C 3.12751 12.33552 25.50389 0.005534 0.02442 -0.001834
C 7.50322 15.14796 29.6161 -0.006213 -0.004933 -0.000747
C 1.40373 11.19393 24.51773 0.010534 -0.017367 -0.001092
C 3.80397 12.94996 26.65615 0.002217 -0.004864 0.00243
C 8.57966 14.45689 30.19901 -0.01763 0.003904 -0.000438
C 6.41322 13.04505 28.99429 0.000846 0.002142 -0.001281
C 7.11711 10.60698 26.32697 -0.00806 -0.007153 0.001568
C 8.56928 10.39785 26.11624 0.007771 0.005702 -0.000769
C 2.40254 11.47466 28.13268 -0.005219 -0.003765 0.002043
C 1.34132 0.72136 29.09863 -0.007589 0.001376 -0.001063
C 2.0432 10.60688 26.95218 0.007833 -0.005359 -0.00237
C 0.2278 10.77807 28.50979 0.001257 0.003362 -0.000565
C 0.59102 10.39775 27.16283 -0.005206 0.002154 0.000877
C 0.22782 1.41002 28.5099 0.000793 -0.003296 -0.000494
C 7.20876 13.73399 23.5041 -0.012821 0.001397 0.000349
C 3.18438 12.57534 27.97489 0.007478 0.006079 -0.002679
C 2.34865 8.35331 28.1328 0.004321 0.003739 0.001911
C 1.56686 7.25257 27.97497 -0.008658 -0.005249 -0.002754
C 5.52794 7.25963 23.34199 -0.013044 -0.010116 -0.001358
C 1.80629 6.09407 28.78119 0.003076 -0.000216 0.003763
C 4.17076 6.8173 23.08665 0.022447 -0.053493 -0.00035
C 0.94726 6.87792 26.65619 -0.002403 0.004414 0.002107
C 2.00435 5.40535 24.28401 -0.019616 -0.022651 0.000357
C 2.43838 8.56201 25.64534 0.009611 0.01419 0.001143
C 5.75084 8.36129 24.18084 0.002603 0.011885 0.001698
C 3.3475 8.63415 24.5178 -0.008187 0.015169 -2.9e-05
C 5.52791 4.92882 23.34208 -0.019174 0.014343 -0.001481
C 1.62375 7.49242 25.504 -0.003738 -0.018995 -0.001313
C 3.09429 7.50836 23.66417 -0.040458 0.007855 -5.8e-05
C 6.72239 8.56205 27.63389 -0.003236 0.000271 -0.001277
C 7.53707 7.49245 27.77433 -0.004741 -0.007005 -0.000369
C 3.09429 4.68002 23.66426 -0.038268 -0.006335 -0.000171
C 5.81321 8.63404 28.76213 0.007777 -0.002774 -0.00055
C 8.21355 6.87798 26.62202 0.001662 0.001678 -0.002134
C 4.17073 5.37116 23.08678 0.026008 0.048536 -0.000352
C 2.00439 6.78293 24.28401 -0.016945 0.021553 0.000625
C 2.70802 9.22108 26.9523 -0.007511 0.004884 -0.000908
C 4.16018 9.43027 27.16303 0.008115 -0.002361 -0.002683
C 6.81204 8.35333 25.14644 -0.001197 0.015783 -0.003756
C 5.75079 3.82719 24.18082 0.001993 -0.01605 0.002383
C 6.45258 9.22104 26.32698 0.008737 0.006789 0.000167
C 4.63729 9.04989 24.76962 -0.008215 0.014324 -0.002313
C 5.0004 9.43018 26.11634 -0.008267 -0.005108 0.002943
C 4.63728 3.13851 24.76951 -0.00457 -0.013657 -0.002246
C 2.79986 6.09405 29.77549 -0.003341 6.8e-05 -0.001145
C 7.59394 7.25263 25.30341 0.016419 -0.009917 0.003625
168
energy=-1515.04438509 config_type=nep2xyz pbc="T T T" virial="-38.27966717552329 -0.0710220530959341 0.021108982033249804 -0.0710220530959341 -43.581932294014585 0.007863306056210584 0.021108982033249804 0.007863306056210584 -4.93668446152502" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98512 0.003153 -0.009175 0.002782
C 1.47141 0.89094 19.97537 -0.003321 -0.015771 -0.002566
C 2.93782 0.89094 19.98386 -0.007975 0.013701 0.001764
C 3.67602 2.16424 19.98684 -0.013564 -0.010033 0.004377
C 0.73321 4.71084 19.98845 -0.002583 0.010123 0.005776
C 1.47141 3.43754 19.98772 0.008819 -0.002105 0.004983
C 2.93782 3.43754 19.98331 0.008865 0.015865 0.002232
C 3.67602 4.71084 19.97288 -0.004659 -0.005522 -0.003736
C 0.73321 7.25743 19.987 -0.01106 -0.002459 0.004578
C 1.47141 5.98413 19.98433 0.014735 -0.002299 0.002413
C 2.93782 5.98413 19.97248 -0.000957 0.007571 -0.004166
C 3.67602 7.25743 19.96787 -0.016511 0.00117 -0.005862
C 0.73321 9.80403 19.98691 0.001808 0.007222 0.003907
C 1.47141 8.53073 19.98624 0.01631 -0.004043 0.003978
C 2.93782 8.53073 19.97971 0.00384 -0.010597 0.000406
C 3.67602 9.80403 19.98632 -0.012417 -0.004337 0.003691
C 0.73321 12.35062 19.96768 0.012639 -0.005054 -0.00699
C 1.47141 11.07732 19.98136 -0.011055 0.017784 0.00016
C 2.93782 11.07732 19.98711 0.00049 -0.005273 0.00367
C 3.67602 12.35062 19.98731 -0.002457 0.000997 0.003915
C 0.73321 14.89722 19.96225 0.00742 0.016676 -0.009298
C 1.47141 13.62392 19.96299 0.012589 -0.011437 -0.008808
C 2.93782 13.62392 19.97919 -0.023308 0.004955 -0.001526
C 3.67602 14.89722 19.9857 -0.000762 -0.003858 0.002511
C 5.14244 2.16424 19.98782 0.002587 0.007897 0.005638
C 5.88064 0.89094 19.98774 0.006608 -0.004861 0.005193
C 7.34705 0.89094 19.9815 0.008638 -0.00677 0.000737
C 8.08525 2.16424 19.98653 -0.006235 -0.006276 0.003851
C 5.14244 4.71084 19.97142 -0.000651 0.006159 -0.004182
C 5.88064 3.43754 19.98306 -0.006497 0.007906 0.002733
C 7.34705 3.43754 19.98765 -0.002389 0.000512 0.005353
C 8.08525 4.71084 19.98732 0.001582 0.001405 0.005254
C 5.14244 7.25743 19.96617 0.008611 -0.008532 -0.006678
C 5.88064 5.98413 19.96882 -0.002598 0.00478 -0.005814
C 7.34705 5.98413 19.98111 -0.01434 0.007834 0.000778
C 8.08525 7.25743 19.98549 0.006429 -0.005883 0.003619
C 5.14244 9.80403 19.98615 0.003693 -0.001202 0.004055
C 5.88064 8.53073 19.97825 0.006063 -0.011045 -0.000326
C 7.34705 8.53073 19.98481 -0.008622 0.004469 0.003196
C 8.08525 9.80403 19.98693 -0.007194 -0.004763 0.00421
C 5.14244 12.35062 19.98889 0.000331 0.010707 0.005849
C 5.88064 11.07732 19.9884 -0.00066 -0.005862 0.005707
C 7.34705 11.07732 19.98365 0.014353 0.016215 0.002164
C 8.08525 12.35062 19.97225 -0.000213 -0.012996 -0.00509
C 5.14244 14.89722 19.98812 -0.001676 -0.003793 0.004886
C 5.88064 13.62392 19.98479 0.012083 -0.00211 0.002764
C 7.34705 13.62392 19.97328 -0.000793 0.008531 -0.004837
C 8.08525 14.89722 19.9683 -0.002961 -0.006289 -0.006837
C 2.64013 0.95108 28.13286 -0.003254 0.003666 -0.001188
C 3.42191 15.12991 27.97492 0.007458 -0.005385 0.001883
C 8.27929 15.13698 23.34273 0.012253 -0.009687 -0.000567
C 3.18248 13.97141 28.78122 -0.001029 -0.000522 -0.001008
C 0.81801 14.69465 23.08844 -0.029652 -0.050599 -0.00029
C 4.04151 14.75527 26.65631 0.002473 0.005225 -0.001928
C 2.98442 13.2827 24.28442 0.028581 -0.006797 0.000162
C 2.55039 1.15978 25.64538 -0.013289 0.018232 -0.003321
C 8.05639 0.95906 24.18116 -0.002484 0.018172 -6.5e-05
C 1.64127 1.23193 24.51783 0.007358 0.026326 0.001718
C 8.27933 12.80616 23.34207 0.018417 0.020153 -0.000788
C 3.36502 0.09019 25.50404 0.008113 -0.024242 0.002624
C 1.89448 0.10614 23.6642 0.042474 0.01184 1.9e-05
C 7.08485 1.15983 27.63392 0.001799 0.000497 -0.000301
C 6.27016 0.09023 27.77441 0.004859 -0.00524 -0.001188
C 1.89448 12.55736 23.66411 0.045185 -0.02074 -0.000181
C 7.99403 1.23182 28.76216 -0.009005 -0.002776 -0.000479
C 5.59368 14.75533 26.62212 -0.002636 0.002079 5e-05
C 0.81804 13.2485 23.08804 -0.033171 0.050952 -0.000313
C 2.98439 14.66028 24.28455 0.024907 0.00261 -0.000267
C 2.28075 1.81886 26.95226 0.006112 0.003111 0.003675
C 0.82859 2.02804 27.16306 -0.008283 -0.001279 -0.004776
C 6.99519 0.9511 25.14666 -0.00703 0.013226 -0.000775
C 8.05644 11.70453 24.18089 0.001761 -0.02829 -0.000131
C 7.35465 1.81882 26.32706 -0.008501 0.006584 -0.00056
C 0.35148 1.64767 24.76966 0.010633 0.019557 -0.001781
C 8.80683 2.02795 26.11632 0.009572 -0.005065 0.004509
C 0.35149 11.01586 24.76923 -0.003462 -0.020274 0.001052
C 2.18891 13.97139 29.77539 0.001199 -7.7e-05 0.000703
C 6.21329 15.12997 25.30372 -0.01225 -0.002551 -0.000788
C 7.04961 4.0725 25.14633 0.004909 -0.014621 0.001749
C 7.83156 5.17314 25.30338 0.011524 0.007931 -0.003411
C 3.87041 5.16619 29.93944 0.004282 -0.004972 -0.000245
C 7.5921 6.3317 24.49643 0.016511 0.003402 0.002091
C 5.22761 5.60856 30.19887 0.016425 -0.003455 -0.000617
C 8.45112 5.54775 26.62186 0.000373 -0.000614 0.001033
C 7.39398 7.0204 28.9941 -0.000836 -0.001675 -0.001051
C 6.95994 3.86372 27.63368 -0.003671 8.5e-05 0.00264
C 3.64747 4.06453 29.09858 0.01066 -0.00244 1.4e-05
C 6.05078 3.79164 28.76197 0.008678 0.003144 -0.001914
C 3.87038 7.49701 29.93942 0.004814 0.005209 -0.000259
C 7.77466 4.93326 27.77423 -0.005082 0.006355 -0.002991
C 6.30404 4.91749 29.61596 0.00764 0.005108 -0.000809
C 2.67583 3.86366 25.64532 0.008301 -0.01244 0.00286
C 1.86126 4.9333 25.50408 -0.001375 0.017795 -0.001665
C 6.30401 7.74574 29.61591 0.005568 -0.005353 -0.000839
C 3.58504 3.79171 24.51781 -0.01245 -0.014993 -0.0015
C 1.1848 5.54774 26.65625 -0.003038 -0.004516 0.001016
C 5.22758 7.05467 30.19887 0.018554 0.005434 -0.000874
C 7.39401 5.64282 28.99415 -0.001232 0.001273 -0.000393
C 6.69012 3.20476 26.32692 0.008585 -0.006814 -0.004257
C 5.23796 2.99562 26.11617 -0.007664 0.004388 0.003593
C 2.58623 4.07243 28.13281 0.004035 -0.004965 0.000312
C 3.64745 8.59871 29.09857 0.010713 0.001555 -3.5e-05
C 2.94557 3.20466 26.95226 -0.007693 -0.00563 -0.001715
C 4.76097 3.37585 28.5098 0.000118 0.004191 0.000796
C 4.39775 2.99552 27.16284 0.007888 0.004072 -0.003737
C 4.76095 9.28737 28.50979 -0.001251 -0.002015 -0.002721
C 6.59848 6.33177 23.50272 0.014354 0.001287 -0.002187
C 1.80439 5.17312 27.97496 -0.008114 0.00576 0.000156
C 6.99518 11.71229 25.14651 -0.009619 -0.006579 -0.000901
C 6.21323 12.81292 25.30371 -0.009741 -0.003802 -0.000792
C 1.35592 12.80598 29.93933 -0.004527 -0.004729 2.7e-05
C 6.45269 13.97149 24.49702 -0.016086 0.002247 -0.000739
C 8.81718 13.24834 30.19898 -0.016478 -0.003795 -0.000522
C 5.59367 13.18753 26.62209 -0.00319 -0.001864 2.3e-05
C 6.65082 14.66019 28.99428 0.001401 -0.001749 -0.000465
C 7.08485 11.50351 27.63378 0.00229 -0.002429 -0.000569
C 1.57886 11.70432 29.09845 -0.010119 -0.001323 6e-05
C 7.99401 11.43142 28.76198 -0.007836 0.0028 -0.000642
C 1.35595 15.1368 29.93946 -0.004663 0.004534 -6.7e-05
C 6.27014 12.57304 27.77435 0.003831 0.006024 -0.001279
C 7.74075 12.55728 29.616 -0.004526 0.00403 -0.000485
C 2.5505 11.50345 25.64507 -0.014542 -0.018626 -0.000622
C 3.36507 12.57309 25.50391 0.005577 0.025173 0.000832
C 7.74078 0.10595 29.61609 -0.0069 -0.004735 -0.000549
C 1.6413 11.43149 24.51754 0.014599 -0.015094 0.000509
C 4.04153 13.18752 26.65623 0.002433 -0.004446 -0.000198
C 8.81722 14.69445 30.19908 -0.017676 0.003732 -0.000432
C 6.65078 13.28261 28.99426 0.001982 0.002652 -0.00044
C 7.35467 10.84455 26.32685 -0.007733 -0.006276 0.000513
C 8.80684 10.63541 26.11613 0.006626 0.006985 -0.007043
C 2.6401 11.71222 28.13265 -0.004186 -0.004333 -0.000295
C 1.57888 0.95892 29.09864 -0.009251 0.001702 0.000688
C 2.28076 10.84444 26.95206 0.00808 -0.005686 -0.000296
C 0.46536 11.01564 28.50967 0.001577 0.004605 -0.001977
C 0.82858 10.63531 27.16264 -0.004906 0.003023 0.006591
C 0.46539 1.64758 28.50987 0.000507 -0.003668 0.000739
C 7.44632 13.97155 23.50437 -0.005568 0.004135 -0.000627
C 3.42194 12.8129 27.97488 0.007148 0.006935 0.001062
C 2.58621 8.59087 28.13278 0.005019 0.004283 -0.000506
C 1.80442 7.49013 27.97491 -0.008923 -0.006149 0.000904
C 5.7655 7.4972 23.34131 -0.007864 -0.006731 -0.000646
C 2.04385 6.33163 28.78126 0.001416 -8e-06 -0.000866
C 4.40832 7.05486 23.08652 0.014766 -0.061301 -0.000418
C 1.18482 7.11549 26.65622 -0.002267 0.00534 -0.001239
C 2.24191 5.64291 24.28414 -0.025535 -0.018509 0.000652
C 2.67594 8.79957 25.64523 0.009198 0.012345 0.000378
C 5.9884 8.59885 24.18057 0.00191 0.009071 -0.001858
C 3.58506 8.87172 24.51754 -0.006212 0.015525 -0.000619
C 5.76547 5.16638 23.34206 -0.028722 0.016503 -0.000204
C 1.86131 7.72998 25.50395 -0.003179 -0.016272 0.000619
C 3.33185 7.74593 23.66397 -0.03963 0.012242 -0.000163
C 6.95995 8.79961 27.63366 -0.003277 -0.000164 -0.000693
C 7.77463 7.73001 27.77418 -0.005228 -0.007589 -0.001472
C 3.33185 4.91758 23.66459 -0.027319 -0.002986 0.00022
C 6.05077 8.8716 28.76194 0.009153 -0.002824 -0.00086
C 8.45111 7.11554 26.6218 -0.000309 0.002252 3.8e-05
C 4.4083 5.60872 23.08727 0.02408 0.042653 -0.000312
C 2.24195 7.02049 24.28401 -0.016017 0.016449 -0.00032
C 2.94558 9.45864 26.95219 -0.007052 0.003336 -0.001532
C 4.39774 9.66783 27.16275 0.005365 -0.003439 0.007879
C 7.0496 8.59089 25.14597 -0.006086 0.020104 0.000635
C 5.98835 4.06475 24.18083 0.000931 -0.017755 -0.002223
C 6.69014 9.4586 26.32674 0.008871 0.00562 -0.000524
C 4.87485 9.28745 24.76935 -0.008002 0.016487 0.001911
C 5.23796 9.66774 26.11627 -0.005954 -0.007933 -0.008817
C 4.87484 3.37607 24.76941 -0.001345 -0.013856 -0.000454
C 3.03742 6.33161 29.77547 -0.001161 0.000148 0.000393
C 7.8315 7.49019 25.30318 0.01805 -0.01761 -0.003161
168
energy=-1515.04581618 config_type=nep2xyz pbc="T T T" virial="-38.233160135426125 -0.1353161437908324 0.0027752844904272646 -0.1353161437908324 -43.51456857047422 0.012530829971929166 0.0027752844904272646 0.012530829971929166 -4.979364973006591" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98407 0.004533 -0.009251 0.002326
C 1.47141 0.89094 19.97292 -0.000379 -0.011187 -0.003652
C 2.93782 0.89094 19.98167 -0.008019 0.018805 0.000648
C 3.67602 2.16424 19.9867 -0.015406 -0.017111 0.004606
C 0.73321 4.71084 19.98864 -0.000572 0.01426 0.006042
C 1.47141 3.43754 19.98801 0.005544 -0.006553 0.005404
C 2.93782 3.43754 19.98495 0.009735 0.016363 0.003558
C 3.67602 4.71084 19.97661 0.002365 -0.009612 -0.001815
C 0.73321 7.25743 19.9864 -0.015242 0.000126 0.004126
C 1.47141 5.98413 19.9854 0.00872 -0.005281 0.003228
C 2.93782 5.98413 19.97603 0.003848 0.01542 -0.002679
C 3.67602 7.25743 19.96897 -0.01661 -0.003896 -0.005212
C 0.73321 9.80403 19.9875 0.002084 0.008904 0.004475
C 1.47141 8.53073 19.98647 0.015647 -0.007065 0.004314
C 2.93782 8.53073 19.98052 0.002893 -0.008088 0.000735
C 3.67602 9.80403 19.98636 -0.012271 -0.005143 0.003533
C 0.73321 12.35062 19.97004 0.009057 0.000567 -0.005534
C 1.47141 11.07732 19.98309 -0.011255 0.013956 0.001273
C 2.93782 11.07732 19.98753 0.00583 -0.003733 0.004028
C 3.67602 12.35062 19.9867 -0.005593 0.002893 0.003772
C 0.73321 14.89722 19.9612 -0.004084 0.017631 -0.009516
C 1.47141 13.62392 19.9629 0.008561 -0.019412 -0.008874
C 2.93782 13.62392 19.97735 -0.015031 0.00722 -0.002197
C 3.67602 14.89722 19.98408 -0.005095 -0.008751 0.001278
C 5.14244 2.16424 19.98837 0.001648 0.010128 0.006386
C 5.88064 0.89094 19.98805 0.006325 -0.008787 0.005678
C 7.34705 0.89094 19.98213 0.008612 0.000841 0.001169
C 8.08525 2.16424 19.98641 -0.006463 -0.010685 0.003769
C 5.14244 4.71084 19.97327 -0.003327 0.009005 -0.003166
C 5.88064 3.43754 19.98433 -0.007837 0.005132 0.003405
C 7.34705 3.43754 19.98779 0.001382 0.003916 0.005386
C 8.08525 4.71084 19.98653 -0.00205 -0.001595 0.004694
C 5.14244 7.25743 19.96415 0.007267 -0.001078 -0.007524
C 5.88064 5.98413 19.96721 0.002212 0.001203 -0.006339
C 7.34705 5.98413 19.97875 -0.01219 0.012054 -0.000709
C 8.08525 7.25743 19.98293 0.008606 -0.006619 0.001684
C 5.14244 9.80403 19.98496 0.004455 -0.001007 0.003136
C 5.88064 8.53073 19.97505 0.008521 -0.009365 -0.002182
C 7.34705 8.53073 19.98201 -0.006608 0.009222 0.001199
C 8.08525 9.80403 19.98659 -0.01023 -0.012163 0.003907
C 5.14244 12.35062 19.98897 -0.000576 0.012054 0.006189
C 5.88064 11.07732 19.98847 -0.003632 -0.010446 0.00574
C 7.34705 11.07732 19.98492 0.015155 0.018086 0.003037
C 8.08525 12.35062 19.97548 0.001475 -0.01614 -0.003193
C 5.14244 14.89722 19.98798 -0.001186 0.001011 0.004852
C 5.88064 13.62392 19.98565 0.013256 -0.004796 0.003626
C 7.34705 13.62392 19.97574 -0.00431 0.009571 -0.003207
C 8.08525 14.89722 19.96977 0.003988 -0.010708 -0.006098
C 2.87769 1.18864 28.13295 -0.002772 0.004434 -0.00084
C 3.65947 0.0879 27.97505 0.008441 -0.005149 0.001392
C 8.51685 0.09497 23.34255 0.013895 -0.007832 -0.000596
C 3.42004 14.20897 28.78128 -0.000709 -0.001151 -0.000745
C 1.05557 14.93221 23.08889 -0.024144 -0.042683 -0.000327
C 4.27907 14.99283 26.65643 0.0028 0.005663 -0.00115
C 3.22198 13.52026 24.28456 0.028678 0.000621 0.000111
C 2.78795 1.39734 25.6455 -0.010326 0.017557 -0.002511
C 8.29396 1.19662 24.1811 -0.001185 0.018048 -2.8e-05
C 1.87883 1.46949 24.51785 0.010754 0.026744 0.001338
C 8.51689 13.04372 23.34125 0.013023 0.018343 -0.000933
C 3.60258 0.32775 25.50427 0.005686 -0.021522 0.001897
C 2.13204 0.3437 23.66446 0.033699 0.00898 0.000119
C 7.32241 1.39739 27.63387 0.002167 0.00053 0.000158
C 6.50772 0.32779 27.77431 0.005045 -0.005359 -0.001206
C 2.13204 12.79492 23.66402 0.041754 -0.02532 -0.000278
C 8.23159 1.46938 28.76211 -0.009816 -0.003157 -0.00073
C 5.83124 14.99289 26.62201 -0.000894 0.001669 -0.000284
C 1.0556 13.48606 23.08791 -0.02593 0.05097 -0.000455
C 3.22195 14.89784 24.28484 0.028934 -0.006216 -0.000122
C 2.51831 2.05642 26.95235 0.006703 0.002347 0.003626
C 1.06615 2.2656 27.16308 -0.01003 -0.002264 -0.007976
C 7.23275 1.18866 25.14658 -0.006235 0.014471 -0.000919
C 8.294 11.94209 24.18056 0.0046 -0.028792 -0.000348
C 7.59221 2.05638 26.327 -0.008868 0.006086 -0.001512
C 0.58904 1.88523 24.76959 0.007181 0.020379 -0.002453
C 0.22593 2.26551 26.11626 0.012361 -0.004869 0.007579
C 0.58905 11.25342 24.76895 -0.011474 -0.022175 0.000229
C 2.42647 14.20895 29.77543 0.000476 -0.000497 0.0005
C 6.45085 0.08796 25.30356 -0.013069 -0.002336 -0.000495
C 7.28717 4.31006 25.14637 0.00556 -0.015377 0.001167
C 8.06912 5.4107 25.30333 0.011798 0.006641 -0.003152
C 4.10797 5.40375 29.93947 0.005329 -0.004256 -9e-06
C 7.82966 6.56926 24.4964 0.021659 0.004263 0.002068
C 5.46517 5.84612 30.19888 0.017306 -0.002549 -0.000625
C 8.68868 5.78531 26.62183 3.3e-05 -0.00097 0.000575
C 7.63154 7.25796 28.99399 -0.001177 -0.001546 -0.000774
C 7.1975 4.10128 27.6337 -0.003667 -0.000864 0.001619
C 3.88503 4.30209 29.09864 0.010759 -0.002651 -9e-06
C 6.28834 4.0292 28.76199 0.009167 0.003355 -0.001572
C 4.10794 7.73457 29.93933 0.005683 0.005285 -0.000379
C 8.01222 5.17082 27.77421 -0.005393 0.00654 -0.002516
C 6.5416 5.15505 29.61595 0.007705 0.005806 -0.00059
C 2.91339 4.10122 25.64543 0.006562 -0.01373 0.003381
C 2.09883 5.17086 25.50422 -0.00241 0.017328 -0.001819
C 6.54157 7.9833 29.61578 0.004536 -0.004979 -0.00093
C 3.8226 4.02927 24.51794 -0.012047 -0.022697 -0.001469
C 1.42237 5.7853 26.65629 -0.004138 -0.004887 0.001475
C 5.46514 7.29223 30.1988 0.019361 0.005125 -0.000883
C 7.63157 5.88038 28.99414 -0.001042 0.002868 -0.00041
C 6.92769 3.44232 26.32689 0.00984 -0.006068 -0.001922
C 5.47552 3.23318 26.11628 -0.004799 0.005204 -0.005603
C 2.82379 4.30999 28.13288 0.00371 -0.004852 0.000527
C 3.88501 8.83627 29.09848 0.011019 0.002206 0.000115
C 3.18313 3.44222 26.95236 -0.008916 -0.004939 -0.003009
C 4.99853 3.61341 28.50986 5.2e-05 0.003964 -0.001153
C 4.63531 3.23308 27.1628 0.006343 0.004995 0.005305
C 4.99851 9.52493 28.50963 -0.000777 -0.003004 -0.002246
C 6.83604 6.56933 23.50277 0.009228 0.001058 -0.002088
C 2.04195 5.41068 27.97499 -0.007939 0.005714 0.0002
C 7.23274 11.94985 25.14616 -0.005872 -0.007851 -0.001068
C 6.45079 13.05048 25.30344 -0.012516 -0.00014 -0.00079
C 1.59348 13.04354 29.93928 -0.005409 -0.005223 -0.000133
C 6.69025 14.20905 24.49676 -0.019205 0.001941 -0.001252
C 0.23628 13.4859 30.19887 -0.017358 -0.004149 -0.000764
C 5.83123 13.42509 26.62193 -0.002335 -0.003206 1e-05
C 6.88838 14.89775 28.9942 0.00123 -0.002677 -0.000602
C 7.32242 11.74107 27.63358 0.003191 -0.001958 -0.000216
C 1.81642 11.94188 29.09838 -0.010765 -0.002011 -0.000272
C 8.23157 11.66898 28.76182 -0.008637 0.002051 -0.001157
C 1.59351 0.09478 29.9395 -0.004964 0.004357 -9.7e-05
C 6.5077 12.8106 27.77416 0.005291 0.004923 -0.001742
C 7.97832 12.79484 29.61582 -0.004797 0.005169 -0.000687
C 2.78806 11.74101 25.64502 -0.012972 -0.017691 -0.000271
C 3.60263 12.81065 25.50399 0.00399 0.023756 0.00043
C 7.97834 0.34351 29.61602 -0.007799 -0.005069 -0.000652
C 1.87886 11.66905 24.51731 0.018705 -0.010827 0.00013
C 4.27909 13.42508 26.6563 0.002514 -0.004832 -0.000292
C 0.23632 14.93201 30.19899 -0.01816 0.001978 -0.000508
C 6.88834 13.52017 28.99408 0.00189 0.002186 -0.000614
C 7.59223 11.08211 26.3266 -0.00757 -0.004272 -0.00038
C 0.22594 10.87297 26.11587 0.010535 0.00811 -0.004615
C 2.87766 11.94978 28.13262 -0.004999 -0.005417 -0.000155
C 1.81645 1.19648 29.09869 -0.009695 0.002019 0.000504
C 2.51832 11.082 26.952 0.007989 -0.004964 -0.00072
C 0.70292 11.2532 28.50951 0.001354 0.005997 -0.001338
C 1.06614 10.87287 27.16249 -0.007548 0.002793 0.003775
C 0.70295 1.88514 28.50987 0.000692 -0.00439 0.001716
C 7.68388 14.20911 23.50404 0.000542 0.004484 -0.000565
C 3.6595 13.05046 27.97494 0.007969 0.006973 0.000683
C 2.82377 8.82843 28.13272 0.005136 0.004733 -0.001094
C 2.04198 7.72769 27.97487 -0.008898 -0.006368 0.001616
C 6.00306 7.73476 23.34109 -0.008375 -0.010197 -0.000654
C 2.28141 6.56919 28.78123 0.001546 0.000815 -0.000972
C 4.64588 7.29242 23.08731 0.014383 -0.070536 -0.000439
C 1.42238 7.35305 26.65622 -0.002751 0.006187 -0.002569
C 2.47947 5.88047 24.28446 -0.032199 -0.007841 0.000775
C 2.9135 9.03713 25.64517 0.010068 0.013739 -0.000882
C 6.22596 8.83641 24.18044 0.002431 0.015842 -0.001988
C 3.82262 9.10928 24.51744 -0.007092 0.016789 -0.000195
C 6.00303 5.40394 23.34244 -0.033598 0.0199 -0.000296
C 2.09887 7.96754 25.50395 -0.005164 -0.017143 0.001711
C 3.56941 7.98349 23.66389 -0.039069 0.020688 -0.000164
C 7.19751 9.03717 27.63351 -0.00411 -0.000555 -7e-05
C 8.01219 7.96757 27.77404 -0.005595 -0.006616 -0.002275
C 3.56941 5.15514 23.66481 -0.022172 -0.002648 0.000242
C 6.28833 9.10916 28.76182 0.00948 -0.002917 -0.001291
C 8.68867 7.3531 26.6217 0.00014 0.002918 0.000966
C 4.64586 5.84628 23.08857 0.024654 0.042894 -0.000206
C 2.47951 7.25805 24.2842 -0.021209 0.006955 -0.000574
C 3.18314 9.6962 26.9521 -0.006588 0.002819 -0.000251
C 4.6353 9.90539 27.16263 0.007818 -0.00324 0.005363
C 7.28716 8.82845 25.14579 -0.006261 0.019664 0.000668
C 6.22591 4.30231 24.18093 0.002115 -0.023387 -0.001845
C 6.9277 9.69616 26.32657 0.008089 0.00487 -0.001446
C 5.11241 9.52501 24.76919 -0.004913 0.019348 0.00117
C 5.47552 9.9053 26.11606 -0.007206 -0.008366 -0.006406
C 5.1124 3.61363 24.76944 -0.00272 -0.016337 0.002058
C 3.27498 6.56917 29.77542 -0.00077 0.000174 0.000479
C 8.06906 7.72775 25.30307 0.019694 -0.018644 -0.003409
168
energy=-1515.04686758 config_type=nep2xyz pbc="T T T" virial="-38.21612998059851 -0.1537339408636679 0.005045971800776845 -0.1537339408636679 -43.45170417178954 0.008115604646249426 0.005045971800776845 0.008115604646249426 -5.013383232896828" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98262 0.005956 -0.008156 0.001767
C 1.47141 0.89094 19.97104 0.00137 -0.007132 -0.004898
C 2.93782 0.89094 19.97916 -0.00747 0.018604 -0.000582
C 3.67602 2.16424 19.98604 -0.014635 -0.019753 0.004944
C 0.73321 4.71084 19.98837 0.000999 0.014434 0.006413
C 1.47141 3.43754 19.98772 0.001939 -0.011012 0.005891
C 2.93782 3.43754 19.98597 0.010896 0.016473 0.004538
C 3.67602 4.71084 19.97998 0.004432 -0.0129 -0.000387
C 0.73321 7.25743 19.98563 -0.018219 0.002331 0.003772
C 1.47141 5.98413 19.9862 0.005589 -0.005819 0.003969
C 2.93782 5.98413 19.97932 0.006002 0.018546 -0.001397
C 3.67602 7.25743 19.97084 -0.012704 -0.006841 -0.005228
C 0.73321 9.80403 19.98781 0.00339 0.007568 0.005376
C 1.47141 8.53073 19.98678 0.01183 -0.007621 0.004753
C 2.93782 8.53073 19.98184 0.00332 -0.00726 0.00109
C 3.67602 9.80403 19.9861 -0.009225 -0.002293 0.003462
C 0.73321 12.35062 19.9734 0.004396 0.006431 -0.003942
C 1.47141 11.07732 19.98468 -0.009015 0.009163 0.002749
C 2.93782 11.07732 19.98749 0.009742 -0.003143 0.004787
C 3.67602 12.35062 19.98562 -0.007702 0.006689 0.004029
C 0.73321 14.89722 19.96182 -0.013275 0.012284 -0.009959
C 1.47141 13.62392 19.96435 0.003132 -0.018034 -0.008801
C 2.93782 13.62392 19.97575 -0.005888 0.005689 -0.002825
C 3.67602 14.89722 19.98221 -0.008395 -0.011561 0.000289
C 5.14244 2.16424 19.98846 -0.000744 0.008501 0.007223
C 5.88064 0.89094 19.98809 0.007008 -0.010634 0.006469
C 7.34705 0.89094 19.98288 0.005351 0.007109 0.001907
C 8.08525 2.16424 19.98597 -0.004465 -0.011776 0.003941
C 5.14244 4.71084 19.9751 -0.002758 0.011661 -0.002791
C 5.88064 3.43754 19.98526 -0.006374 0.004649 0.004133
C 7.34705 3.43754 19.98747 0.004629 0.005299 0.005389
C 8.08525 4.71084 19.98531 -0.007008 -0.000317 0.003789
C 5.14244 7.25743 19.96242 0.001708 0.006687 -0.009645
C 5.88064 5.98413 19.96579 0.004763 -0.006321 -0.008283
C 7.34705 5.98413 19.97601 -0.007943 0.010458 -0.003119
C 8.08525 7.25743 19.97991 0.011634 -0.007141 -0.000886
C 5.14244 9.80403 19.98308 0.005176 -0.004491 0.001724
C 5.88064 8.53073 19.97133 0.006242 -0.003716 -0.005104
C 7.34705 8.53073 19.97854 -0.00359 0.012763 -0.001535
C 8.08525 9.80403 19.98571 -0.01304 -0.016741 0.003707
C 5.14244 12.35062 19.9886 -0.003539 0.011283 0.006959
C 5.88064 11.07732 19.98794 -0.003241 -0.013027 0.005965
C 7.34705 11.07732 19.98586 0.012586 0.01611 0.003913
C 8.08525 12.35062 19.97908 0.00262 -0.011707 -0.001137
C 5.14244 14.89722 19.98757 -0.00111 0.003812 0.005237
C 5.88064 13.62392 19.98645 0.014468 -0.004061 0.004884
C 7.34705 13.62392 19.97879 -0.005712 0.006013 -0.001233
C 8.08525 14.89722 19.97243 0.013923 -0.012147 -0.005156
C 3.11525 1.42621 28.13289 -0.004794 0.004774 0.000953
C 3.89703 0.32546 27.97507 0.009241 -0.005682 -0.00145
C 8.75441 0.33253 23.34215 0.015506 -0.006857 -0.000612
C 3.6576 14.44653 28.78122 -0.002205 -0.001657 0.002629
C 1.29314 15.16977 23.08844 -0.020467 -0.033701 -0.000356
C 4.51663 15.23039 26.65637 0.002999 0.006284 0.00062
C 3.45954 13.75782 24.28446 0.026042 0.00051 4.4e-05
C 3.02551 1.6349 25.6455 -0.00688 0.015682 -0.000583
C 8.53152 1.43418 24.18099 0.001158 0.015158 -0.00077
C 2.11639 1.70705 24.51779 0.011264 0.021896 0.000567
C 8.75445 13.28128 23.34076 0.006922 0.012303 -0.00094
C 3.84014 0.56531 25.5043 0.003199 -0.018389 0.000473
C 2.3696 0.58126 23.66456 0.02608 0.006629 9.7e-05
C 7.55997 1.63495 27.63388 0.002721 0.000925 -0.001874
C 6.74528 0.56535 27.77428 0.006351 -0.005733 -1.8e-05
C 2.3696 13.03248 23.66395 0.036967 -0.024958 -8.4e-05
C 8.46915 1.70694 28.7621 -0.008907 -0.003456 0.000186
C 6.0688 15.23045 26.62198 -0.000173 0.001867 -0.001172
C 1.29316 13.72362 23.08728 -0.018227 0.047272 -0.000531
C 3.45951 15.1354 24.28474 0.03046 -0.004398 0.000144
C 2.75587 2.29398 26.95235 0.007402 0.003667 2.4e-05
C 1.30371 2.50316 27.16293 -0.008294 -0.004065 0.002393
C 7.47031 1.42622 25.14649 -0.003731 0.016668 -0.00025
C 8.53156 12.17965 24.18043 0.004909 -0.022177 -0.001001
C 7.82978 2.29394 26.32697 -0.009007 0.006374 -0.000689
C 0.8266 2.12279 24.76949 0.001642 0.020605 -9.3e-05
C 0.46349 2.50308 26.11632 0.008337 -0.005866 -0.002046
C 0.82661 11.49098 24.76892 -0.01079 -0.02222 0.000448
C 2.66403 14.44651 29.77545 0.001252 -0.001011 -0.000839
C 6.68841 0.32552 25.30347 -0.012769 -0.005262 -0.000768
C 7.52473 4.54762 25.14658 0.006362 -0.014126 -0.00481
C 8.30668 5.64826 25.30336 0.014555 0.004337 0.004843
C 4.34553 5.64131 29.93941 0.004961 -0.003084 0.000305
C 8.06722 6.80682 24.49677 0.022857 0.002697 -0.007353
C 5.70273 6.08368 30.19898 0.017056 -0.002203 -0.000591
C 0.10778 6.02287 26.622 8e-05 -0.001715 -0.005491
C 7.8691 7.49552 28.99405 -0.000889 -0.002963 -0.001106
C 7.43506 4.33884 27.63386 -0.002128 -0.003056 -0.006219
C 4.12259 4.53966 29.09858 0.009758 -0.002323 -0.000395
C 6.5259 4.26676 28.76201 0.008709 0.004614 0.00192
C 4.34551 7.97213 29.9393 0.006051 0.005345 3.5e-05
C 8.24978 5.40838 27.77417 -0.006316 0.005883 0.003618
C 6.77916 5.39261 29.61599 0.00818 0.005597 -0.000943
C 3.15095 4.33878 25.64535 0.00983 -0.015959 -0.000649
C 2.33639 5.40842 25.5041 -0.005377 0.019783 0.000293
C 6.77913 8.22086 29.61586 0.004882 -0.004759 -0.001104
C 4.06016 4.26683 24.51786 -0.010877 -0.030993 0.001378
C 1.65993 6.02286 26.65623 -0.002564 -0.005346 0.001563
C 5.7027 7.52979 30.19892 0.019539 0.003394 -0.000826
C 7.86914 6.11794 28.99418 -0.000613 0.00355 -0.001949
C 7.16525 3.67988 26.32686 0.010106 -0.005937 0.004425
C 5.71308 3.47074 26.11623 -0.008149 0.005167 -0.00036
C 3.06136 4.54755 28.13278 0.004182 -0.005305 0.001714
C 4.12257 9.07383 29.09847 0.009663 0.002109 -0.001576
C 3.42069 3.67978 26.95226 -0.007562 -0.00424 -0.000132
C 5.23609 3.85097 28.50983 -0.001294 0.003822 -0.001189
C 4.87287 3.47064 27.16285 0.007094 0.003774 0.001281
C 5.23607 9.76249 28.5096 -0.000593 -0.004967 0.0006
C 7.0736 6.80689 23.50337 0.003164 -0.000502 0.001551
C 2.27951 5.64824 27.97497 -0.008181 0.005888 -0.002369
C 7.4703 12.18741 25.14597 0.000234 -0.013248 -0.001505
C 6.68835 13.28804 25.30326 -0.015284 0.007033 -0.000264
C 1.83104 13.2811 29.9393 -0.005816 -0.005153 -6.2e-05
C 6.92781 14.44661 24.49659 -0.021794 0.000252 -0.001217
C 0.47384 13.72346 30.19889 -0.01881 -0.004452 -0.000886
C 6.06879 13.66265 26.6219 -0.000815 -0.003259 -0.002502
C 7.12594 15.13531 28.99421 0.001078 -0.002067 -0.001056
C 7.55998 11.97863 27.6336 0.00393 -0.00256 -0.003819
C 2.05398 12.17944 29.0984 -0.010988 -0.002372 -0.000707
C 8.46914 11.90654 28.7618 -0.008283 0.003168 0.000324
C 1.83107 0.33235 29.93947 -0.005687 0.004443 0.000165
C 6.74526 13.04816 27.77411 0.006983 0.006057 0.000889
C 8.21588 13.0324 29.61585 -0.004945 0.004633 -0.001149
C 3.02562 11.97857 25.64502 -0.01108 -0.015333 -0.000366
C 3.84019 13.04821 25.504 0.001948 0.019749 -2.1e-05
C 8.2159 0.58107 29.61603 -0.007845 -0.005239 -0.00105
C 2.11642 11.90661 24.5172 0.01613 -0.007533 -0.000209
C 4.51665 13.66264 26.65624 0.002457 -0.005342 0.000868
C 0.47388 15.16957 30.199 -0.018983 0.002341 -0.00064
C 7.1259 13.75773 28.99411 0.001158 0.002382 -0.00157
C 7.82979 11.31967 26.32652 -0.007574 -0.003672 0.001177
C 0.4635 11.11053 26.11585 0.010146 0.008724 -0.004623
C 3.11522 12.18734 28.13259 -0.006158 -0.005958 0.000479
C 2.05401 1.43404 29.09868 -0.009756 0.0023 -0.000345
C 2.75588 11.31956 26.95196 0.007438 -0.005004 -0.000143
C 0.94048 11.49076 28.50951 0.000394 0.005414 -0.001667
C 1.3037 11.11043 27.16248 -0.007947 0.003199 0.003112
C 0.94051 2.1227 28.50991 -0.000465 -0.003875 -0.001278
C 7.92144 14.44667 23.50357 0.003085 0.002353 -0.000951
C 3.89707 13.28803 27.97495 0.008398 0.006489 -0.001548
C 3.06133 9.06599 28.13262 0.005447 0.004257 0.002542
C 2.27954 7.96525 27.97488 -0.009456 -0.006494 -0.003428
C 6.24063 7.97232 23.34154 -0.011382 -0.018505 -0.001382
C 2.51897 6.80675 28.7811 0.003143 0.000869 0.003953
C 4.88344 7.52998 23.08842 0.022298 -0.073636 -0.000411
C 1.65994 7.59061 26.6561 -0.001883 0.00655 0.003747
C 2.71703 6.11803 24.28458 -0.037089 0.004083 0.000303
C 3.15106 9.27469 25.64503 0.012073 0.01804 0.003767
C 6.46352 9.07397 24.18055 0.005231 0.026391 0.00104
C 4.06018 9.34684 24.51747 -0.008874 0.020685 -0.001414
C 6.24059 5.6415 23.34297 -0.03125 0.02373 -0.001282
C 2.33643 8.2051 25.50394 -0.005283 -0.021406 -0.003154
C 3.80697 8.22105 23.6638 -0.03952 0.027714 0.000104
C 7.43507 9.27473 27.63367 -0.003542 0.001394 -0.002297
C 8.24975 8.20513 27.77411 -0.005494 -0.005909 9.1e-05
C 3.80697 5.3927 23.66459 -0.024319 -0.008446 5e-05
C 6.52589 9.34672 28.76193 0.009911 -0.003026 -0.000512
C 0.10777 7.59066 26.62188 0.0001 0.003722 -0.002826
C 4.88342 6.08384 23.08966 0.030342 0.051055 -0.000227
C 2.71707 7.49561 24.2843 -0.029799 -0.002456 0.001066
C 3.4207 9.93376 26.95211 -0.006695 0.003453 -0.003211
C 4.87286 10.14295 27.16275 0.010145 -0.002335 -0.003048
C 7.52472 9.06601 25.14604 -0.003039 0.016167 -0.003858
C 6.46347 4.53987 24.18106 0.006738 -0.030211 0.00241
C 7.16526 9.93372 26.32663 0.008284 0.004868 0.000508
C 5.34997 9.76257 24.76921 -0.002555 0.020469 -0.001785
C 5.71308 10.14286 26.11597 -0.012022 -0.007835 0.002337
C 5.34996 3.85119 24.76953 -0.007097 -0.017756 -0.001999
C 3.51254 6.80673 29.77538 -0.001542 0.000276 -0.00111
C 8.30662 7.96531 25.30318 0.020234 -0.011795 0.003463
168
energy=-1515.04733898 config_type=nep2xyz pbc="T T T" virial="-38.206332385352 -0.09309817972433279 0.0035321802605437916 -0.09309817972433279 -43.471930108757654 0.01190008349683206 0.0035321802605437916 0.01190008349683206 -5.013425282661835" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.9811 0.005088 -0.007323 0.001226
C 1.47141 0.89094 19.96933 0.000428 -0.004192 -0.004831
C 2.93782 0.89094 19.97658 -0.003802 0.012718 -0.001352
C 3.67602 2.16424 19.98543 -0.012444 -0.0178 0.004311
C 0.73321 4.71084 19.98846 0.001966 0.010272 0.005704
C 1.47141 3.43754 19.9876 -0.001342 -0.011858 0.005342
C 2.93782 3.43754 19.98697 0.012985 0.013454 0.004909
C 3.67602 4.71084 19.98297 0.001897 -0.012808 0.001195
C 0.73321 7.25743 19.98529 -0.019064 0.001848 0.002906
C 1.47141 5.98413 19.98726 0.00416 -0.002185 0.004245
C 2.93782 5.98413 19.98232 0.00571 0.014412 0.000289
C 3.67602 7.25743 19.97304 -0.003903 -0.005618 -0.004134
C 0.73321 9.80403 19.98833 0.00373 0.002749 0.005575
C 1.47141 8.53073 19.98754 0.006438 -0.005251 0.004686
C 2.93782 8.53073 19.98343 0.004555 -0.006975 0.001445
C 3.67602 9.80403 19.9858 -0.005129 0.00428 0.002876
C 0.73321 12.35062 19.97682 0.001431 0.009007 -0.001138
C 1.47141 11.07732 19.98623 -0.005622 0.006969 0.004026
C 2.93782 11.07732 19.98753 0.012738 -0.005448 0.004828
C 3.67602 12.35062 19.98482 -0.009303 0.011597 0.003701
C 0.73321 14.89722 19.96292 -0.015405 0.004063 -0.007772
C 1.47141 13.62392 19.96609 -0.001223 -0.006989 -0.006428
C 2.93782 13.62392 19.97454 0.001207 0.000275 -0.002474
C 3.67602 14.89722 19.98029 -0.009704 -0.008515 -0.000385
C 5.14244 2.16424 19.98876 -0.004835 0.002943 0.006725
C 5.88064 0.89094 19.98841 0.008332 -0.009128 0.00637
C 7.34705 0.89094 19.98375 0.000215 0.008291 0.002709
C 8.08525 2.16424 19.98557 -0.000833 -0.007736 0.003587
C 5.14244 4.71084 19.97687 0.001248 0.015033 -0.001829
C 5.88064 3.43754 19.98621 -0.003137 0.006648 0.004144
C 7.34705 3.43754 19.98731 0.0069 0.002563 0.004581
C 8.08525 4.71084 19.98438 -0.012335 0.005813 0.002626
C 5.14244 7.25743 19.96084 -0.006136 0.00653 -0.009686
C 5.88064 5.98413 19.96457 0.001747 -0.012586 -0.008274
C 7.34705 5.98413 19.97345 -0.002522 0.002598 -0.004402
C 8.08525 7.25743 19.97705 0.013143 -0.005031 -0.002767
C 5.14244 9.80403 19.98085 0.006083 -0.011208 0.000168
C 5.88064 8.53073 19.96748 0.000563 0.005665 -0.006725
C 7.34705 8.53073 19.97499 -0.000872 0.01204 -0.003559
C 8.08525 9.80403 19.98483 -0.015027 -0.015958 0.002709
C 5.14244 12.35062 19.9886 -0.006888 0.008251 0.006418
C 5.88064 11.07732 19.98749 -0.001552 -0.012541 0.004927
C 7.34705 11.07732 19.98673 0.009575 0.008996 0.004122
C 8.08525 12.35062 19.98248 0.002867 -0.003515 0.001477
C 5.14244 14.89722 19.98741 -0.001902 0.00255 0.004888
C 5.88064 13.62392 19.98757 0.013447 0.001143 0.00558
C 7.34705 13.62392 19.98189 -0.005553 0.000107 0.001332
C 8.08525 14.89722 19.97517 0.02153 -0.008278 -0.002819
C 3.35281 1.66377 28.13285 -0.004564 0.004475 0.000173
C 4.13459 0.56302 27.97497 0.009322 -0.005101 -0.000135
C 0.17351 0.57009 23.34158 0.016129 -0.007734 -0.000599
C 3.89516 14.6841 28.7812 -0.001563 -0.001284 -0.000479
C 1.5307 0.12776 23.08736 -0.015015 -0.0319 -0.000517
C 4.7542 0.18838 26.65627 0.00387 0.00579 0.000645
C 3.6971 13.99538 24.28423 0.023306 -0.006022 -1.3e-05
C 3.26308 1.87246 25.64543 -0.004734 0.013092 0.001826
C 8.76908 1.67174 24.18071 0.003957 0.010925 -0.001534
C 2.35395 1.94461 24.51769 0.010652 0.013825 -0.001176
C 0.17355 13.51884 23.34074 0.007425 0.008386 -0.000879
C 4.0777 0.80288 25.50421 0.000153 -0.01581 -0.00132
C 2.60716 0.81882 23.66445 0.025844 0.00651 -3e-06
C 7.79753 1.87251 27.63367 0.003413 -0.000236 -0.00017
C 6.98284 0.80291 27.77414 0.006464 -0.005886 -0.001439
C 2.60716 13.27004 23.664 0.033568 -0.017504 -0.000285
C 8.70671 1.9445 28.76194 -0.009163 -0.00288 -0.00115
C 6.30636 0.18844 26.62179 -0.000124 0.001585 -0.000749
C 1.53072 13.96118 23.08661 -0.012243 0.041515 -0.000548
C 3.69707 0.09339 24.28441 0.027861 0.004966 0.000243
C 2.99343 2.53154 26.95229 0.007414 0.004299 -0.00146
C 1.54127 2.74072 27.16283 -0.009571 -0.004217 -0.002162
C 7.70787 1.66378 25.1462 -0.001707 0.017956 -7.2e-05
C 8.76912 12.41721 24.18037 0.005366 -0.014019 -0.001625
C 8.06734 2.5315 26.3268 -0.008464 0.005793 -0.001564
C 1.06416 2.36035 24.76931 -0.00058 0.019282 -0.000446
C 0.70105 2.74064 26.11615 0.008441 -0.005515 0.001303
C 1.06417 11.72854 24.76895 -0.004927 -0.022122 0.001925
C 2.90159 14.68407 29.77539 0.000822 -0.000662 8.6e-05
C 6.92597 0.56308 25.30324 -0.013111 -0.00937 -0.002119
C 7.76229 4.78518 25.14652 0.010398 -0.013005 0.000875
C 8.54424 5.88582 25.30358 0.011354 0.001917 -0.002767
C 4.58309 5.87887 29.93935 0.005406 -0.003331 -4.7e-05
C 8.30478 7.04438 24.49696 0.029101 0.000485 0.001325
C 5.94029 6.32124 30.19897 0.016018 -0.00156 -0.000509
C 0.34534 6.26043 26.62196 0.001895 -0.002568 0.002248
C 8.10666 7.73308 28.99412 -0.001585 -0.002681 -0.000519
C 7.67262 4.5764 27.63373 -0.002414 -0.001036 0.002305
C 4.36015 4.77722 29.0985 0.009514 -0.001679 0.00051
C 6.76346 4.50432 28.76202 0.009527 0.003362 -0.001688
C 4.58307 8.20969 29.93931 0.005271 0.004834 -0.000171
C 8.48734 5.64594 27.77427 -0.004233 0.004728 -0.003311
C 7.01672 5.63017 29.61595 0.006802 0.004553 -0.000414
C 3.38851 4.57634 25.64516 0.013891 -0.018751 -0.002428
C 2.57395 5.64598 25.50392 -0.008745 0.024125 0.002562
C 7.01669 8.45842 29.6159 0.00526 -0.004589 -0.00057
C 4.29772 4.50439 24.51773 -0.008547 -0.033189 0.001236
C 1.89749 6.26042 26.65625 -0.001776 -0.005719 -0.002219
C 5.94026 7.76735 30.19895 0.018268 0.002711 -0.000635
C 8.1067 6.3555 28.99417 -0.002269 0.003346 3.6e-05
C 7.40281 3.91744 26.32691 0.008592 -0.005589 -0.002747
C 5.95064 3.7083 26.11615 -0.009794 0.006311 0.001054
C 3.29892 4.78511 28.13273 0.00345 -0.004812 -0.001155
C 4.36013 9.31139 29.09846 0.009748 0.001162 0.000419
C 3.65825 3.91734 26.95212 -0.006707 -0.00296 0.002561
C 5.47365 4.08853 28.50971 -0.002286 0.005325 0.000247
C 5.11043 3.7082 27.16282 0.007104 0.002563 -0.001354
C 5.47363 10.00005 28.50965 -0.0019 -0.004131 -0.001094
C 7.31116 7.04445 23.50421 -0.006319 -0.001025 -0.001358
C 2.51707 5.8858 27.97485 -0.006892 0.006236 0.002309
C 7.70787 12.42497 25.1458 0.003124 -0.018064 -0.000187
C 6.92591 13.5256 25.30306 -0.01531 0.013241 -0.002585
C 2.0686 13.51866 29.93929 -0.005985 -0.005303 -0.000299
C 7.16537 14.68417 24.49633 -0.022934 -0.001378 0.000561
C 0.7114 13.96103 30.19875 -0.017801 -0.004577 -0.00094
C 6.30635 13.90021 26.62169 -2.3e-05 -0.002603 0.000392
C 7.3635 0.0933 28.99407 0.001366 -0.00064 -0.000957
C 7.79754 12.21619 27.63347 0.004659 -0.001293 -0.000493
C 2.29154 12.417 29.09841 -0.011549 -0.002889 -0.000581
C 8.7067 12.14411 28.76176 -0.009216 0.00263 -0.001268
C 2.06863 0.56991 29.93941 -0.005311 0.004907 -0.000344
C 6.98282 13.28573 27.77404 0.006392 0.00683 -0.00219
C 8.45344 13.26996 29.61577 -0.005695 0.004776 -0.000947
C 3.26318 12.21613 25.64505 -0.007399 -0.01232 0.002372
C 4.07775 13.28577 25.50399 0.000544 0.016754 -0.000908
C 8.45346 0.81863 29.61589 -0.00729 -0.005479 -0.000951
C 2.35398 12.14418 24.51726 0.011484 -0.006869 -0.001543
C 4.75421 13.9002 26.6562 0.003488 -0.005157 -0.000393
C 0.71144 0.12756 30.19882 -0.018524 0.003733 -0.000807
C 7.36346 13.99529 28.99401 0.001521 0.001617 -0.000835
C 8.06735 11.55723 26.3265 -0.008489 -0.004618 -0.000379
C 0.70106 11.34809 26.11591 0.007197 0.009176 -0.009544
C 3.35278 12.4249 28.13264 -0.005055 -0.004997 0.000289
C 2.29157 1.6716 29.0986 -0.010447 0.002662 -0.000208
C 2.99344 11.55712 26.95205 0.007343 -0.004314 -0.00373
C 1.17804 11.72832 28.50954 0.000653 0.004658 -0.002726
C 1.54126 11.34799 27.16243 -0.0068 0.00395 0.008421
C 1.17807 2.36026 28.50977 -0.000561 -0.004242 0.000119
C 8.159 14.68423 23.50291 0.003137 0.001164 -0.001727
C 4.13463 13.52559 27.9749 0.008653 0.005429 -2e-05
C 3.29889 9.30355 28.13269 0.003673 0.004096 -0.001422
C 2.51711 8.20281 27.97482 -0.00774 -0.006283 0.002158
C 6.47819 8.20988 23.34239 -0.017237 -0.025013 -0.000585
C 2.75653 7.04431 28.78116 0.00063 0.000128 -0.001858
C 5.121 7.76754 23.08926 0.031361 -0.069228 -0.00032
C 1.8975 7.82817 26.6562 -0.001346 0.00729 -0.001837
C 2.95459 6.35559 24.28457 -0.038121 0.008457 -0.000211
C 3.38862 9.51225 25.64511 0.014489 0.019648 -0.00265
C 6.70108 9.31153 24.18088 0.004846 0.031201 -0.000896
C 4.29774 9.5844 24.51756 -0.009393 0.026322 0.001162
C 6.47815 5.87906 23.34318 -0.024942 0.02491 -0.000386
C 2.57399 8.44266 25.50386 -0.008371 -0.024603 0.002471
C 4.04454 8.45861 23.66382 -0.04281 0.027645 -0.000152
C 7.67263 9.51229 27.63371 -0.001922 0.000563 0.000375
C 8.48731 8.44269 27.77424 -0.00449 -0.004761 -0.001797
C 4.04453 5.63026 23.66416 -0.035212 -0.016818 2.2e-05
C 6.76345 9.58429 28.76197 0.009362 -0.002914 -0.001134
C 0.34534 7.82822 26.62197 0.001894 0.003099 0.000588
C 5.12098 6.3214 23.08993 0.033568 0.058153 -0.000227
C 2.95463 7.73317 24.28444 -0.035153 -0.007248 -0.000387
C 3.65826 10.17132 26.95206 -0.007073 0.002982 0.002196
C 5.11042 10.38051 27.16275 0.007714 -0.003238 0.00224
C 7.76228 9.30357 25.14631 0.006592 0.012175 0.000186
C 6.70103 4.77743 24.18116 0.006682 -0.031933 -0.000919
C 7.40282 10.17128 26.32678 0.008008 0.004808 -0.001156
C 5.58754 10.00013 24.7693 -0.005437 0.022255 0.000185
C 5.95064 10.38042 26.11612 -0.010197 -0.007446 -0.003007
C 5.58752 4.08875 24.76946 -0.01018 -0.021758 -0.000419
C 3.7501 7.04429 29.77531 -0.000461 0.00024 0.000887
C 8.54418 8.20287 25.30353 0.014268 -0.002557 -0.00221
168
energy=-1515.04690871 config_type=nep2xyz pbc="T T T" virial="-38.22029290733415 0.009713495716495426 -0.019384941667984382 0.009713495716495426 -43.52890754034143 0.009377097596443638 -0.019384941667984382 0.009377097596443638 -5.005940424490682" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97942 0.001162 -0.008 0.000467
C 1.47141 0.89094 19.9679 -0.002512 -0.003098 -0.005564
C 2.93782 0.89094 19.97367 0.004083 0.005388 -0.002776
C 3.67602 2.16424 19.98401 -0.009594 -0.013685 0.003362
C 0.73321 4.71084 19.98834 0.002299 0.003386 0.005604
C 1.47141 3.43754 19.98703 -0.003825 -0.009054 0.005023
C 2.93782 3.43754 19.98726 0.014943 0.006476 0.004904
C 3.67602 4.71084 19.98528 -0.001533 -0.009066 0.002475
C 0.73321 7.25743 19.98504 -0.017532 -0.001554 0.002713
C 1.47141 5.98413 19.98807 0.002699 0.004504 0.004899
C 2.93782 5.98413 19.98483 0.004638 0.007239 0.001912
C 3.67602 7.25743 19.9756 0.007505 -0.001196 -0.003301
C 0.73321 9.80403 19.98838 0.001453 -0.003065 0.00574
C 1.47141 8.53073 19.98802 0.002216 -0.001901 0.004975
C 2.93782 8.53073 19.98468 0.004903 -0.006308 0.001787
C 3.67602 9.80403 19.98499 -0.000683 0.011806 0.002351
C 0.73321 12.35062 19.97987 0.001635 0.009198 0.000755
C 1.47141 11.07732 19.98718 -0.003525 0.007112 0.005083
C 2.93782 11.07732 19.9872 0.014985 -0.010302 0.004872
C 3.67602 12.35062 19.98405 -0.010135 0.016008 0.003297
C 0.73321 14.89722 19.96485 -0.01016 -0.002031 -0.006942
C 1.47141 13.62392 19.96824 -0.002791 0.005364 -0.005328
C 2.93782 13.62392 19.97388 0.004176 -0.005264 -0.002736
C 3.67602 14.89722 19.97793 -0.008671 -0.000651 -0.001531
C 5.14244 2.16424 19.98827 -0.009769 -0.003226 0.006239
C 5.88064 0.89094 19.9881 0.010161 -0.005288 0.006078
C 7.34705 0.89094 19.98427 -0.004596 0.004055 0.003242
C 8.08525 2.16424 19.98484 0.003356 -0.000583 0.0032
C 5.14244 4.71084 19.97877 0.006684 0.018078 -0.001075
C 5.88064 3.43754 19.98667 -0.000819 0.008614 0.004156
C 7.34705 3.43754 19.98688 0.008217 -0.003235 0.004114
C 8.08525 4.71084 19.98364 -0.015705 0.013657 0.001954
C 5.14244 7.25743 19.96068 -0.011717 -0.002411 -0.009922
C 5.88064 5.98413 19.96482 -0.005371 -0.0126 -0.008311
C 7.34705 5.98413 19.97207 0.001105 -0.007282 -0.005351
C 8.08525 7.25743 19.97495 0.011247 -0.00119 -0.004175
C 5.14244 9.80403 19.97831 0.006591 -0.016934 -0.001246
C 5.88064 8.53073 19.9645 -0.004231 0.01507 -0.008357
C 7.34705 8.53073 19.97192 0.000187 0.006649 -0.005483
C 8.08525 9.80403 19.98363 -0.015165 -0.010633 0.001912
C 5.14244 12.35062 19.98826 -0.008944 0.0038 0.006201
C 5.88064 11.07732 19.98652 -0.001017 -0.01063 0.004079
C 7.34705 11.07732 19.98694 0.008022 -0.000828 0.00421
C 8.08525 12.35062 19.98515 0.002724 0.003442 0.003416
C 5.14244 14.89722 19.98667 -0.004361 -0.001692 0.004489
C 5.88064 13.62392 19.98821 0.009897 0.007891 0.006142
C 7.34705 13.62392 19.98449 -0.004067 -0.003315 0.003264
C 8.08525 14.89722 19.97767 0.022377 -0.000721 -0.001195
C 3.59037 1.90133 28.13278 -0.004621 0.003858 0.000196
C 4.37215 0.80058 27.97494 0.00947 -0.005601 -0.000137
C 0.41107 0.80765 23.34119 0.012016 -0.009559 -0.000807
C 4.13272 14.92166 28.78123 -0.001579 -0.000437 -0.00041
C 1.76826 0.36532 23.08629 -0.012326 -0.040231 -0.000525
C 4.99176 0.42594 26.65621 0.002469 0.006033 5.3e-05
C 3.93466 14.23294 24.28401 0.022381 -0.013354 9.7e-05
C 3.50064 2.11002 25.64528 -0.006079 0.011858 0.002153
C 0.18818 1.90931 24.18052 0.002411 0.00809 -0.001672
C 2.59151 2.18217 24.51754 0.008995 0.009679 -0.001394
C 0.41111 13.7564 23.34126 0.013039 0.009642 -0.00068
C 4.31526 1.04044 25.50404 -0.000652 -0.015394 -0.001011
C 2.84472 1.05638 23.66411 0.030893 0.009676 -0.000229
C 8.03509 2.11007 27.63363 0.00346 3.3e-05 -0.000871
C 7.2204 1.04047 27.77412 0.005681 -0.00677 -0.001406
C 2.84473 13.5076 23.66411 0.029685 -0.009027 -0.000152
C 0.12581 2.18206 28.76189 -0.008269 -0.003067 -0.00094
C 6.54392 0.426 26.62175 9.3e-05 0.001907 -0.000572
C 1.76828 14.19874 23.08636 -0.013079 0.038224 -0.000526
C 3.93463 0.33095 24.28403 0.022057 0.013474 -4e-06
C 3.23099 2.7691 26.95222 0.007312 0.0045 -0.003305
C 1.77883 2.97829 27.1627 -0.005587 -0.004766 0.007794
C 7.94543 1.90134 25.14601 0.002653 0.01951 6.4e-05
C 0.18822 12.65477 24.18052 0.001943 -0.01019 -0.001946
C 8.3049 2.76906 26.32673 -0.008478 0.005204 -0.000279
C 1.30172 2.59791 24.76925 4.3e-05 0.018037 0.001848
C 0.93862 2.9782 26.11623 0.005671 -0.007365 -0.008792
C 1.30173 11.9661 24.76917 0.000362 -0.018547 0.00065
C 3.13915 14.92163 29.77546 0.001896 -8.4e-05 -1e-06
C 7.16353 0.80064 25.30313 -0.015075 -0.013513 -0.002576
C 7.99985 5.02274 25.14657 0.011247 -0.010117 -0.000208
C 8.7818 6.12338 25.30373 0.010094 -0.001485 -0.001497
C 4.82065 6.11644 29.93929 0.0046 -0.003704 -9.7e-05
C 8.54234 7.28194 24.49725 0.027469 -0.000415 5.8e-05
C 6.17785 6.5588 30.19901 0.016407 -0.003055 -0.000493
C 0.5829 6.49799 26.62207 0.003632 -0.002426 0.001187
C 8.34422 7.97064 28.99425 -0.001079 -0.00238 -0.000517
C 7.91018 4.81396 27.63379 -0.002729 -0.002437 0.000377
C 4.59771 5.01478 29.09842 0.008887 -0.001176 0.000534
C 7.00102 4.74188 28.76203 0.009243 0.003758 -0.00083
C 4.82063 8.44725 29.93934 0.004594 0.004035 -0.000195
C 8.7249 5.8835 27.77435 -0.003424 0.005379 -0.001977
C 7.25428 5.86773 29.61599 0.004996 0.00289 -0.000518
C 3.62607 4.8139 25.645 0.017398 -0.020171 -0.002617
C 2.81151 5.88354 25.50375 -0.009686 0.028057 0.002226
C 7.25425 8.69598 29.61603 0.005349 -0.003345 -0.000581
C 4.53528 4.74195 24.5176 -0.007477 -0.028291 0.001302
C 2.13505 6.49798 26.65613 -0.001328 -0.005045 -0.001631
C 6.17782 8.00491 30.19903 0.017464 0.002669 -0.000486
C 8.34426 6.59306 28.99423 -0.001613 0.00303 -0.000195
C 7.64037 4.155 26.32691 0.007786 -0.006049 -0.001044
C 6.1882 3.94587 26.11611 -0.009048 0.00683 -0.000673
C 3.53648 5.02268 28.13262 0.00364 -0.00454 -0.001129
C 4.59769 9.54895 29.09852 0.008385 0.000744 0.000773
C 3.89581 4.1549 26.95202 -0.006656 -0.003764 0.002415
C 5.71121 4.32609 28.50966 -0.002107 0.004401 -0.000495
C 5.34799 3.94576 27.16275 0.00673 0.001673 0.000335
C 5.71119 10.23761 28.50976 -0.00126 -0.00373 0.000839
C 7.54872 7.28201 23.50478 -0.00641 0.000279 -0.000792
C 2.75463 6.12336 27.97475 -0.005937 0.00683 0.001992
C 7.94543 12.66253 25.14595 0.002111 -0.019967 0.00068
C 7.16347 13.76316 25.30308 -0.014182 0.014661 -0.00307
C 2.30616 13.75622 29.93938 -0.004601 -0.004851 -0.000355
C 7.40293 14.92173 24.49629 -0.022008 -4.9e-05 0.001169
C 0.94896 14.19859 30.19882 -0.017052 -0.00498 -0.000912
C 6.54391 14.13777 26.62171 7e-06 -0.001817 0.000685
C 7.60106 0.33086 28.99407 0.00077 -0.001216 -0.001144
C 8.0351 12.45375 27.63353 0.004653 -0.000463 0.000832
C 2.52911 12.65456 29.09849 -0.011493 -0.002432 -0.000403
C 0.1258 12.38167 28.76183 -0.008737 0.003538 -0.001635
C 2.30619 0.80747 29.93941 -0.00466 0.00535 -0.000292
C 7.22038 13.52329 27.7741 0.00523 0.007177 -0.002735
C 8.691 13.50752 29.61585 -0.006824 0.004428 -0.001009
C 3.50074 12.45369 25.64514 -0.007004 -0.010823 0.002175
C 4.31531 13.52333 25.50398 -0.000281 0.015996 -0.001169
C 8.69102 1.05619 29.61589 -0.006845 -0.005112 -0.001047
C 2.59154 12.38174 24.51744 0.009675 -0.010115 -0.001489
C 4.99177 14.13777 26.65619 0.002645 -0.004868 -2.7e-05
C 0.949 0.36512 30.19884 -0.018199 0.004571 -0.000916
C 7.60102 14.23285 28.99406 0.001237 0.001668 -0.000742
C 8.30491 11.79479 26.32668 -0.008479 -0.005508 -0.002296
C 0.93862 11.58565 26.11604 0.006858 0.007279 -0.003315
C 3.59034 12.66246 28.1327 -0.00455 -0.004668 0.000284
C 2.52913 1.90916 29.09857 -0.011168 0.002279 -0.000394
C 3.231 11.79468 26.95212 0.00688 -0.00457 -0.00291
C 1.4156 11.96588 28.50967 0.001316 0.003643 -0.001218
C 1.77882 11.58555 27.16262 -0.006467 0.003962 0.002582
C 1.41563 2.59782 28.50977 0.000987 -0.002213 -0.002646
C 8.39656 14.9218 23.50258 -0.002432 -4.1e-05 -0.002003
C 4.37219 13.76315 27.97493 0.008955 0.005867 -0.00013
C 3.53645 9.54111 28.13273 0.003248 0.003972 -0.001576
C 2.75467 8.44037 27.97477 -0.006392 -0.006262 0.002175
C 6.71575 8.44744 23.34313 -0.019805 -0.02435 -0.00049
C 2.9941 7.28187 28.7811 0.001293 -0.000493 -0.001628
C 5.35856 8.0051 23.08945 0.037233 -0.059853 -0.000324
C 2.13506 8.06573 26.65615 -0.001267 0.006184 -0.001844
C 3.19215 6.59315 24.28441 -0.035137 0.004402 -0.000129
C 3.62618 9.74981 25.64519 0.016241 0.020502 -0.004074
C 6.93864 9.54909 24.18118 0.004184 0.029829 -0.000264
C 4.5353 9.82196 24.51775 -0.007084 0.029547 0.001963
C 6.71571 6.11662 23.34302 -0.019006 0.024596 -0.000577
C 2.81155 8.68022 25.50383 -0.00966 -0.027415 0.002873
C 4.2821 8.69617 23.66393 -0.045127 0.022871 -5e-05
C 7.91019 9.74986 27.63389 -0.001954 0.001463 -0.000204
C 8.72487 8.68025 27.77438 -0.003817 -0.004935 -0.000955
C 4.28209 5.86782 23.66385 -0.045729 -0.024747 -3.7e-05
C 7.00101 9.82185 28.76211 0.009199 -0.003421 -0.000513
C 0.5829 8.06578 26.62211 0.003568 0.002272 6.1e-05
C 5.35854 6.55896 23.08937 0.037382 0.060072 -0.000264
C 3.19219 7.97074 24.28446 -0.035612 -0.004762 -0.000264
C 3.89582 10.40888 26.95211 -0.00668 0.003773 0.004324
C 5.34798 10.61807 27.16296 0.009027 -0.001842 -0.005758
C 7.99984 9.54113 25.14668 0.012034 0.010045 -0.00043
C 6.93859 5.01499 24.18113 0.004286 -0.031934 -0.000315
C 7.64038 10.40884 26.32702 0.007507 0.005899 -0.001188
C 5.8251 10.2377 24.76954 -0.010187 0.021941 -0.002041
C 6.1882 10.61798 26.11621 -0.010496 -0.005702 0.005261
C 5.82508 4.32631 24.7694 -0.009179 -0.023477 -0.000384
C 3.98766 7.28185 29.77528 -0.001308 -0.000373 0.000864
C 8.78174 8.44043 25.3038 0.0104 0.003204 -0.001058
168
energy=-1515.04578557 config_type=nep2xyz pbc="T T T" virial="-38.23698666404172 0.08325853471281795 -0.036877643910677445 0.08325853471281795 -43.564691890361935 0.011185237491722008 -0.036877643910677445 0.011185237491722008 -4.9433703741610495" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97804 -0.004236 -0.009571 -0.000414
C 1.47141 0.89094 19.96647 -0.006281 -0.004118 -0.006475
C 2.93782 0.89094 19.97029 0.012899 0.001061 -0.004651
C 3.67602 2.16424 19.98167 -0.005919 -0.010863 0.001639
C 0.73321 4.71084 19.98834 0.002208 -0.00299 0.005669
C 1.47141 3.43754 19.9863 -0.00448 -0.00477 0.00427
C 2.93782 3.43754 19.98686 0.014525 -0.002209 0.004238
C 3.67602 4.71084 19.98675 -0.002755 -0.004956 0.003357
C 0.73321 7.25743 19.98498 -0.014056 -0.004863 0.00279
C 1.47141 5.98413 19.98871 0.001146 0.010079 0.005701
C 2.93782 5.98413 19.98659 0.003715 0.00206 0.003251
C 3.67602 7.25743 19.97776 0.017468 0.002822 -0.002213
C 0.73321 9.80403 19.98814 -0.003452 -0.005941 0.005419
C 1.47141 8.53073 19.9882 0.000846 -0.00046 0.005035
C 2.93782 8.53073 19.98528 0.003506 -0.004601 0.002075
C 3.67602 9.80403 19.98395 0.004549 0.015898 0.001793
C 0.73321 12.35062 19.98223 0.004573 0.008495 0.002196
C 1.47141 11.07732 19.98773 -0.002543 0.007514 0.005639
C 2.93782 11.07732 19.98688 0.015331 -0.013942 0.004649
C 3.67602 12.35062 19.98368 -0.009652 0.018063 0.002821
C 0.73321 14.89722 19.96705 -0.002049 -0.001638 -0.006231
C 1.47141 13.62392 19.97046 -0.001272 0.0099 -0.004396
C 2.93782 13.62392 19.97367 0.004107 -0.007209 -0.003058
C 3.67602 14.89722 19.97512 -0.004208 0.006077 -0.003061
C 5.14244 2.16424 19.98719 -0.014457 -0.005802 0.004909
C 5.88064 0.89094 19.98742 0.011748 -0.00156 0.005189
C 7.34705 0.89094 19.98468 -0.006851 -0.001859 0.003182
C 8.08525 2.16424 19.98431 0.006956 0.004708 0.00283
C 5.14244 4.71084 19.98066 0.010476 0.019342 -0.000191
C 5.88064 3.43754 19.98691 -0.000659 0.008002 0.004044
C 7.34705 3.43754 19.9867 0.008527 -0.007895 0.004078
C 8.08525 4.71084 19.98356 -0.015854 0.018448 0.001974
C 5.14244 7.25743 19.9617 -0.012861 -0.012777 -0.009421
C 5.88064 5.98413 19.9665 -0.011396 -0.00709 -0.007454
C 7.34705 5.98413 19.97216 0.001656 -0.013302 -0.005217
C 8.08525 7.25743 19.97392 0.005729 0.003785 -0.00472
C 5.14244 9.80403 19.9759 0.005008 -0.017086 -0.002491
C 5.88064 8.53073 19.96255 -0.00522 0.019462 -0.00917
C 7.34705 8.53073 19.96961 0.000392 -0.001503 -0.006747
C 8.08525 9.80403 19.98239 -0.011963 -0.006132 0.001137
C 5.14244 12.35062 19.98794 -0.008908 0.00012 0.005505
C 5.88064 11.07732 19.98543 -0.002413 -0.010327 0.003128
C 7.34705 11.07732 19.98673 0.007366 -0.008134 0.004038
C 8.08525 12.35062 19.98697 0.002023 0.004909 0.00478
C 5.14244 14.89722 19.98548 -0.008938 -0.00488 0.003402
C 5.88064 13.62392 19.98851 0.005243 0.011857 0.006139
C 7.34705 13.62392 19.98639 -0.002054 -0.002081 0.004575
C 8.08525 14.89722 19.97962 0.017634 0.005423 -2e-05
C 3.82793 2.13889 28.13271 -0.003869 0.003991 -0.001262
C 4.60971 1.03815 27.97484 0.008196 -0.00609 0.001445
C 0.64863 1.04521 23.34119 0.007639 -0.007471 -0.000452
C 4.37028 15.15922 28.78119 -0.000718 0.000498 -0.001465
C 2.00582 0.60288 23.08623 -0.014653 -0.05531 -0.00052
C 5.22932 0.6635 26.65615 0.003008 0.005586 -0.001952
C 4.17223 14.4705 24.28405 0.024324 -0.017442 0.000471
C 3.7382 2.34758 25.64522 -0.007749 0.011894 -0.000785
C 0.42574 2.14687 24.18053 -0.000464 0.007749 -0.002385
C 2.82908 2.41973 24.51751 0.008556 0.011009 -0.00042
C 0.64867 13.99396 23.34197 0.023398 0.013996 -0.00037
C 4.55282 1.278 25.50391 0.002466 -0.016003 0.000965
C 3.08228 1.29394 23.66391 0.037358 0.013446 -0.000116
C 8.27265 2.34763 27.6336 0.003538 -0.000451 0.000676
C 7.45796 1.27803 27.77409 0.004607 -0.007074 -0.00214
C 3.08229 13.74517 23.66445 0.02714 -0.003432 2.4e-05
C 0.36337 2.41962 28.7619 -0.008892 -0.002042 -0.00135
C 6.78148 0.66356 26.62171 -0.000725 0.00185 0.000778
C 2.00584 14.4363 23.08699 -0.02147 0.03858 -0.000344
C 4.17219 0.56851 24.28391 0.017473 0.016816 -0.000473
C 3.46855 3.00666 26.95212 0.006448 0.004432 0.000711
C 2.01639 3.21585 27.16281 -0.007777 -0.002537 -0.002483
C 8.183 2.1389 25.14592 0.00435 0.021144 0.001295
C 0.42578 12.89233 24.1808 -0.000305 -0.013745 -0.002135
C 8.54246 3.00662 26.32673 -0.008395 0.005181 -0.003366
C 1.53928 2.83547 24.76933 0.004623 0.016696 -0.000567
C 1.17618 3.21576 26.11612 0.009082 -0.006541 0.001525
C 1.53929 12.20366 24.76942 0.002165 -0.015703 0.000893
C 3.37671 15.15919 29.7754 0.002271 -0.000107 0.00045
C 7.40109 1.0382 25.30311 -0.016778 -0.017642 -0.003894
C 8.23741 5.26031 25.14654 0.010315 -0.008013 -0.001092
C 0.2009 6.36094 25.30373 0.01031 -0.003281 -0.000697
C 5.05821 6.354 29.9393 0.004847 -0.004881 6e-06
C 8.7799 7.5195 24.49716 0.022763 0.000983 -0.000804
C 6.41541 6.79636 30.19899 0.016344 -0.002532 -0.000559
C 0.82046 6.73555 26.62208 0.003177 -0.001782 0.000267
C 8.58178 8.2082 28.99429 -0.000384 -0.001728 -0.000481
C 8.14774 5.05153 27.63379 -0.002337 -0.00308 -0.001136
C 4.83527 5.25234 29.09842 0.008898 -0.001399 0.000279
C 7.23858 4.97944 28.762 0.007834 0.00274 -0.000414
C 5.05819 8.68481 29.9394 0.005159 0.00468 -7.5e-05
C 0.144 6.12106 27.77434 -0.00391 0.005474 -0.001344
C 7.49184 6.10529 29.61598 0.004724 0.003418 -0.000471
C 3.86363 5.05146 25.645 0.016822 -0.019803 -0.001308
C 3.04907 6.1211 25.50379 -0.007113 0.026432 0.001637
C 7.49181 8.93354 29.61609 0.006549 -0.00395 -0.000501
C 4.77284 4.97951 24.51754 -0.011523 -0.019524 0.000906
C 2.37261 6.73554 26.65615 -0.001697 -0.004231 -0.000988
C 6.41538 8.24247 30.19905 0.016449 0.00152 -0.000452
C 8.58182 6.83062 28.99423 -0.000989 0.00204 -0.000327
C 7.87793 4.39256 26.32686 0.007374 -0.005575 0.001584
C 6.42576 4.18343 26.11618 -0.006912 0.007737 -0.009521
C 3.77404 5.26024 28.13262 0.004396 -0.005279 -0.000666
C 4.83525 9.78651 29.09859 0.008037 0.001527 0.000804
C 4.13337 4.39246 26.95204 -0.007244 -0.004876 -0.00035
C 5.94877 4.56365 28.50966 -0.002362 0.004305 -0.002819
C 5.58556 4.18332 27.16263 0.003479 0.002443 0.009252
C 5.94875 10.47517 28.50988 -0.001494 -0.003415 -0.000275
C 7.78628 7.51957 23.50467 -0.001119 0.002722 -0.000528
C 2.99219 6.36092 27.97479 -0.006188 0.006207 0.001542
C 8.18299 12.90009 25.14625 -0.002974 -0.018386 0.001471
C 7.40103 14.00072 25.30325 -0.011845 0.011743 -0.003874
C 2.54372 13.99378 29.93943 -0.004547 -0.004333 -0.000278
C 7.64049 15.15929 24.49635 -0.021063 0.002046 0.002779
C 1.18652 14.43615 30.19892 -0.016973 -0.004015 -0.000748
C 6.78147 14.37533 26.62177 -0.001044 -0.000881 0.001041
C 7.83862 0.56842 28.99404 0.000893 -0.000869 -0.000889
C 8.27266 12.69131 27.63367 0.003705 -0.000298 0.001726
C 2.76667 12.89212 29.09856 -0.009462 -0.001945 5.1e-05
C 0.36336 12.61923 28.76198 -0.008376 0.002759 -0.001677
C 2.54375 1.04503 29.93939 -0.005139 0.005652 -0.000587
C 7.45794 13.76085 27.77418 0.004313 0.006967 -0.002853
C 0.1101 13.74508 29.61596 -0.007967 0.005845 -0.000776
C 3.73831 12.69125 25.64531 -0.006302 -0.011816 0.002669
C 4.55287 13.76089 25.50405 0.000983 0.016672 -0.001531
C 0.11012 1.29376 29.61587 -0.005967 -0.005349 -0.00106
C 2.8291 12.6193 24.51776 0.011696 -0.013666 -0.001423
C 5.22933 14.37533 26.65618 0.0038 -0.003477 0.000623
C 1.18656 0.60268 30.19889 -0.018795 0.005259 -0.000874
C 7.83858 14.47041 28.99412 0.001532 0.001699 -0.000485
C 8.54247 12.03235 26.32688 -0.008784 -0.006321 -0.002865
C 1.17618 11.82321 26.11624 0.006014 0.005031 -0.002936
C 3.8279 12.90002 28.13276 -0.003628 -0.005011 6.7e-05
C 2.76669 2.14672 29.09851 -0.009549 0.001468 0.000349
C 3.46856 12.03224 26.95225 0.007729 -0.005905 -0.002518
C 1.65316 12.20344 28.50984 0.000672 0.003534 -0.001024
C 2.01638 11.82311 27.16279 -0.005468 0.003702 0.002653
C 1.65319 2.83538 28.50973 0.000708 -0.003211 -0.000433
C 8.63412 15.15936 23.50261 -0.009928 0.000704 -0.002408
C 4.60975 14.00071 27.97491 0.007888 0.005953 0.000472
C 3.77401 9.77867 28.13281 0.003368 0.003727 -0.001346
C 2.99223 8.67793 27.97483 -0.00634 -0.005441 0.002155
C 6.95331 8.685 23.34312 -0.016023 -0.015569 -0.000636
C 3.23166 7.51943 28.78112 0.000417 -0.001197 -0.001492
C 5.59612 8.24266 23.08902 0.0334 -0.051634 -0.000278
C 2.37262 8.30329 26.65622 -0.001841 0.005719 -0.001976
C 3.42971 6.83071 24.28439 -0.030441 -0.001071 -9.3e-05
C 3.86374 9.98737 25.6453 0.014793 0.019991 -0.003172
C 7.1762 9.78665 24.18128 0.002966 0.022544 0.00021
C 4.77286 10.05952 24.51785 -0.006632 0.029393 0.001747
C 6.95327 6.35418 23.3424 -0.016161 0.022352 -0.000855
C 3.04911 8.91778 25.50394 -0.008485 -0.024637 0.002867
C 4.51966 8.93373 23.66412 -0.043464 0.015452 -4.1e-05
C 8.14775 9.98742 27.63398 -0.001792 0.00206 -0.001092
C 0.14397 8.91781 27.77443 -0.004233 -0.005301 -0.000683
C 4.51965 6.10538 23.66392 -0.047819 -0.025304 -0.000262
C 7.23857 10.05941 28.76218 0.008576 -0.002814 -9.4e-05
C 0.82046 8.30334 26.62214 0.002649 0.00188 -0.000112
C 5.5961 6.79652 23.08853 0.034964 0.054673 -0.000299
C 3.42975 8.2083 24.28452 -0.03025 -0.001757 -0.000191
C 4.13338 10.64645 26.95223 -0.006397 0.003766 0.003237
C 5.58554 10.85563 27.16303 0.006258 -0.002089 -0.001099
C 8.2374 9.77869 25.14679 0.010241 0.011186 -0.001081
C 7.17616 5.25255 24.18098 -0.000541 -0.030501 6.6e-05
C 7.87794 10.6464 26.32711 0.007977 0.00636 0.000499
C 6.06266 10.47526 24.76969 -0.011488 0.021282 -0.001009
C 6.42576 10.85554 26.1164 -0.008912 -0.005422 0.00081
C 6.06265 4.56387 24.7693 -0.000457 -0.022656 0.001445
C 4.22522 7.51941 29.77529 -0.001444 -0.000629 0.000823
C 0.20084 8.67799 25.3038 0.010778 0.002467 -0.000455
168
energy=-1515.04431401 config_type=nep2xyz pbc="T T T" virial="-38.262174473280595 0.07791821455699578 -0.02464116229379359 0.07791821455699578 -43.56023461527125 0.018628045897867852 -0.02464116229379359 0.018628045897867852 -4.927769911343648" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97732 -0.007096 -0.0114 -0.001055
C 1.47141 0.89094 19.96529 -0.009382 -0.006059 -0.007234
C 2.93782 0.89094 19.96661 0.016858 0.00352 -0.006542
C 3.67602 2.16424 19.97847 -0.002158 -0.009639 -0.000512
C 0.73321 4.71084 19.98848 0.002326 -0.006103 0.005781
C 1.47141 3.43754 19.98553 -0.003037 -0.00214 0.003416
C 2.93782 3.43754 19.98574 0.01097 -0.009368 0.003115
C 3.67602 4.71084 19.98739 -0.001121 -0.002353 0.003815
C 0.73321 7.25743 19.98488 -0.010566 -0.004346 0.002873
C 1.47141 5.98413 19.98905 -0.000474 0.01152 0.006018
C 2.93782 5.98413 19.98756 0.003243 0.002068 0.004115
C 3.67602 7.25743 19.97936 0.023035 0.003043 -0.001354
C 0.73321 9.80403 19.98751 -0.008329 -0.004614 0.005005
C 1.47141 8.53073 19.98792 0.00172 -0.001489 0.004681
C 2.93782 8.53073 19.98531 0.000349 -0.001761 0.002112
C 3.67602 9.80403 19.98302 0.010609 0.013589 0.001294
C 0.73321 12.35062 19.98399 0.008297 0.010239 0.003221
C 1.47141 11.07732 19.988 -0.002351 0.005112 0.005759
C 2.93782 11.07732 19.98675 0.013004 -0.013307 0.004391
C 3.67602 12.35062 19.98378 -0.008449 0.017523 0.002261
C 0.73321 14.89722 19.96942 0.003006 0.004549 -0.005564
C 1.47141 13.62392 19.97278 0.002051 0.004218 -0.003585
C 2.93782 13.62392 19.97384 0.003418 -0.004107 -0.003451
C 3.67602 14.89722 19.9721 0.001936 0.006062 -0.004563
C 5.14244 2.16424 19.98558 -0.017522 -0.00327 0.003395
C 5.88064 0.89094 19.98649 0.011688 0.000486 0.003861
C 7.34705 0.89094 19.9852 -0.006588 -0.004592 0.003102
C 8.08525 2.16424 19.98428 0.009119 0.004944 0.002746
C 5.14244 4.71084 19.98241 0.010809 0.018899 0.000701
C 5.88064 3.43754 19.98704 -0.002589 0.003388 0.004161
C 7.34705 3.43754 19.98698 0.007257 -0.008309 0.004464
C 8.08525 4.71084 19.98425 -0.013768 0.018481 0.002807
C 5.14244 7.25743 19.96379 -0.011798 -0.016658 -0.008425
C 5.88064 5.98413 19.96941 -0.01243 -0.000427 -0.006054
C 7.34705 5.98413 19.97361 -0.000514 -0.013214 -0.004188
C 8.08525 7.25743 19.97374 -0.000501 0.008544 -0.004421
C 5.14244 9.80403 19.97404 0.002007 -0.011769 -0.003165
C 5.88064 8.53073 19.96165 -0.003987 0.017549 -0.009252
C 7.34705 8.53073 19.96789 0.002074 -0.007172 -0.006959
C 8.08525 9.80403 19.981 -0.006285 -0.005817 0.000399
C 5.14244 12.35062 19.98768 -0.0067 -0.001498 0.004563
C 5.88064 11.07732 19.98439 -0.004208 -0.012641 0.002204
C 7.34705 11.07732 19.98615 0.005431 -0.00895 0.003531
C 8.08525 12.35062 19.98803 0.000504 0.00118 0.005614
C 5.14244 14.89722 19.98392 -0.015491 -0.004553 0.001914
C 5.88064 13.62392 19.98851 0.000927 0.010723 0.005627
C 7.34705 13.62392 19.98765 -7.4e-05 0.002885 0.005308
C 8.08525 14.89722 19.98128 0.011412 0.006804 0.0008
C 4.06549 2.37645 28.13275 -0.004232 0.003953 -0.001448
C 4.84727 1.27571 27.9749 0.008548 -0.006879 0.002263
C 0.88619 1.28277 23.34126 0.006977 -0.00585 -0.000578
C 4.60784 0.11721 28.78127 -0.000946 0.000497 -0.001295
C 2.24338 0.84044 23.08705 -0.015376 -0.067886 -0.000403
C 5.46688 0.90106 26.65628 0.003083 0.005728 -0.003768
C 4.40979 14.70806 24.28438 0.028531 -0.015119 0.000989
C 3.97576 2.58514 25.64526 -0.009437 0.01386 -0.002057
C 0.6633 2.38443 24.18054 -0.002998 0.011742 -0.001973
C 3.06664 2.65729 24.51755 0.00765 0.01814 0.000417
C 0.88623 14.23153 23.34211 0.031968 0.018777 -0.000307
C 4.79038 1.51556 25.50401 0.006143 -0.01775 0.002917
C 3.31984 1.5315 23.66407 0.03796 0.014153 -0.000185
C 8.51021 2.58519 27.63358 0.003087 -0.001096 0.000623
C 7.69552 1.51559 27.77409 0.004278 -0.006717 -0.002706
C 3.31985 13.98273 23.66482 0.024763 -0.003585 0.000183
C 0.60093 2.65718 28.76188 -0.008725 -0.00254 -0.001286
C 7.01904 0.90112 26.62172 -0.001014 0.002422 0.001939
C 2.2434 14.67386 23.08795 -0.027272 0.044114 -0.00023
C 4.40975 0.80607 24.28422 0.017058 0.01088 -0.000864
C 3.70611 3.24422 26.95216 0.00669 0.003513 0.000873
C 2.25395 3.45341 27.16273 -0.006461 -0.002561 0.00486
C 8.42056 2.37646 25.14589 0.006006 0.020187 0.001187
C 0.66334 13.12989 24.18083 -0.000359 -0.02344 -0.002048
C 8.78002 3.24418 26.3267 -0.008437 0.006049 -0.001948
C 1.77684 3.07303 24.76932 0.006886 0.017731 0.001023
C 1.41374 3.45332 26.11616 0.006978 -0.007465 -0.005896
C 1.77685 12.44122 24.76937 -0.002423 -0.014671 0.002188
C 3.61427 0.11718 29.77545 0.001572 0.000113 0.000609
C 7.63865 1.27576 25.30312 -0.017832 -0.017728 -0.003904
C 8.47497 5.49787 25.14641 0.008062 -0.00583 -0.001254
C 0.43846 6.5985 25.30361 0.010945 -0.003514 -8.2e-05
C 5.29577 6.59156 29.93939 0.00524 -0.004955 5.5e-05
C 0.199 7.75707 24.49682 0.014583 0.003099 -0.001474
C 6.65298 7.03392 30.19895 0.015863 -0.003544 -0.00051
C 1.05802 6.97311 26.62206 0.002617 -0.001409 -0.000928
C 0.00088 8.44576 28.99427 -0.000451 -0.001408 -0.000535
C 8.3853 5.28909 27.63378 -0.003576 -0.003016 -0.000962
C 5.07283 5.4899 29.0985 0.011056 -0.001931 -8.6e-05
C 7.47614 5.217 28.76201 0.007592 0.002908 -0.000503
C 5.29575 8.92237 29.9395 0.00533 0.005393 4.6e-05
C 0.38156 6.35862 27.77434 -0.004711 0.006709 -0.000736
C 7.7294 6.34285 29.61602 0.005131 0.003862 -0.000564
C 4.10119 5.28902 25.64516 0.013625 -0.017421 0.001115
C 3.28663 6.35866 25.50409 -0.003966 0.023797 -0.000724
C 7.72938 9.1711 29.61609 0.006312 -0.004188 -0.000554
C 5.0104 5.21707 24.51758 -0.017276 -0.012954 -0.000163
C 2.61017 6.9731 26.65632 -0.002868 -0.004315 0.001415
C 6.65294 8.48003 30.19902 0.016595 0.002488 -0.000461
C 0.00092 7.06818 28.99426 -0.001086 0.002824 -0.000579
C 8.11549 4.63012 26.3268 0.008167 -0.005605 0.000721
C 6.66332 4.42099 26.11611 -0.007692 0.007062 -0.004631
C 4.0116 5.4978 28.13272 0.004403 -0.004953 0.000378
C 5.07281 10.02407 29.09867 0.010115 0.001102 0.000525
C 4.37093 4.63002 26.95213 -0.007627 -0.006164 -0.001394
C 6.18633 4.80121 28.5097 -0.000619 0.004398 -0.001251
C 5.82312 4.42088 27.16267 0.007048 0.003233 0.004324
C 6.18631 10.71273 28.50989 -0.001154 -0.002936 -0.000681
C 8.02384 7.75713 23.50401 0.008647 0.004654 -0.000355
C 3.22975 6.59848 27.97498 -0.00787 0.006783 0.000215
C 8.42055 13.13765 25.14634 -0.006566 -0.012905 0.001661
C 7.6386 14.23828 25.30335 -0.010408 0.006186 -0.003423
C 2.78128 14.23134 29.93946 -0.004813 -0.00411 -3.8e-05
C 7.87805 0.11728 24.49638 -0.016578 0.005153 0.002543
C 1.42408 14.67371 30.19893 -0.017728 -0.004242 -0.000607
C 7.01903 14.61289 26.62183 -0.00146 -0.000558 0.000405
C 8.07618 0.80598 28.99402 0.001425 -0.001663 -0.000578
C 8.51022 12.92887 27.63368 0.003352 -0.000428 0.001983
C 3.00423 13.12968 29.0986 -0.01007 -0.00252 -5.1e-05
C 0.60092 12.85679 28.76197 -0.007793 0.003702 -0.001647
C 2.78131 1.28259 29.93938 -0.004829 0.005547 -0.000331
C 7.6955 13.99841 27.77421 0.004597 0.006552 -0.002527
C 0.34766 13.98264 29.61597 -0.007503 0.005364 -0.000598
C 3.97587 12.92881 25.6454 -0.007415 -0.014245 0.004059
C 4.79043 13.99845 25.50422 0.002183 0.019458 -0.002579
C 0.34768 1.53132 29.61585 -0.005848 -0.005089 -0.000817
C 3.06666 12.85686 24.5179 0.015621 -0.01685 -0.001774
C 5.46689 14.61289 26.65628 0.003833 -0.003068 0.002284
C 1.42412 0.84025 30.19887 -0.020001 0.004742 -0.000785
C 8.07614 14.70797 28.99414 0.00196 0.002168 -0.000375
C 8.78003 12.26991 26.32689 -0.008726 -0.006883 -0.002588
C 1.41374 12.06077 26.11626 0.004746 0.004659 -0.006305
C 4.06546 13.13758 28.13282 -0.004273 -0.005144 0.000602
C 3.00425 2.38428 29.09851 -0.010168 0.001483 0.00036
C 3.70612 12.26981 26.95233 0.008722 -0.006324 -0.003591
C 1.89072 12.441 28.50985 0.000804 0.002768 -0.001575
C 2.25394 12.06067 27.16275 -0.005229 0.004328 0.006281
C 1.89075 3.07294 28.50971 0.001091 -0.002786 -0.002137
C 0.05322 0.11734 23.50278 -0.016282 0.002019 -0.002227
C 4.84731 14.23827 27.97499 0.00842 0.00638 5.1e-05
C 4.01157 10.01623 28.13292 0.003505 0.003732 -0.000951
C 3.22979 8.91549 27.97501 -0.008086 -0.00517 0.001851
C 7.19087 8.92256 23.34233 -0.01116 -0.005025 -0.000771
C 3.46922 7.75699 28.7813 0.000914 -0.000332 -0.000546
C 5.83368 8.48022 23.08846 0.023284 -0.050129 -0.000267
C 2.61018 8.54085 26.65641 -0.00282 0.005331 -0.002478
C 3.66727 7.06827 24.28461 -0.028689 -0.005117 0.000623
C 4.1013 10.22493 25.64542 0.012077 0.018012 -0.002696
C 7.41376 10.02421 24.18105 0.000317 0.016261 0.000332
C 5.01042 10.29708 24.51782 -0.00843 0.026281 0.00156
C 7.19083 6.59174 23.34161 -0.02049 0.017822 -0.000765
C 3.28667 9.15534 25.50418 -0.007517 -0.020962 0.003044
C 4.75722 9.17129 23.66442 -0.038487 0.009983 -3.5e-05
C 8.38531 10.22498 27.63391 -0.002964 0.001926 -0.001572
C 0.38153 9.15537 27.77436 -0.005229 -0.00569 -0.000774
C 4.75721 6.34294 23.66439 -0.040115 -0.020415 -4.5e-05
C 7.47613 10.29697 28.76214 0.008472 -0.002914 -2.6e-05
C 1.05802 8.5409 26.62205 0.001889 0.001956 6.4e-05
C 5.83366 7.03408 23.08807 0.029185 0.048093 -0.000286
C 3.66731 8.44586 24.28475 -0.024165 -0.000878 -0.00047
C 4.37094 10.88401 26.95231 -0.006239 0.003459 0.002621
C 5.8231 11.09319 27.163 0.007929 -0.002679 0.000947
C 8.47496 10.01625 25.14653 0.003754 0.013586 -0.001423
C 7.41372 5.49011 24.18076 -0.005382 -0.029299 -2e-05
C 8.1155 10.88397 26.32699 0.008576 0.005904 0.001172
C 6.30022 10.71282 24.76961 -0.00771 0.019566 -0.000552
C 6.66332 11.0931 26.11638 -0.007877 -0.006436 -0.001403
C 6.30021 4.80143 24.76918 0.009993 -0.01875 0.000579
C 4.46279 7.75697 29.7755 -0.001238 -0.000825 0.000579
C 0.4384 8.91555 25.30359 0.013909 -0.003496 -0.00024
168
energy=-1515.04380568 config_type=nep2xyz pbc="T T T" virial="-38.28639513792432 0.025313958533897174 -0.012278531381890322 0.025313958533897174 -43.51561981459938 0.005550568980854529 -0.012278531381890322 0.005550568980854529 -4.9239854324930645" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97743 -0.004763 -0.012283 -0.001489
C 1.47141 0.89094 19.96509 -0.0101 -0.006822 -0.007817
C 2.93782 0.89094 19.96346 0.012221 0.007619 -0.008345
C 3.67602 2.16424 19.97497 0.001464 -0.007262 -0.00267
C 0.73321 4.71084 19.98851 0.003062 -0.00652 0.006245
C 1.47141 3.43754 19.98469 -0.000995 -0.002076 0.002716
C 2.93782 3.43754 19.984 0.006282 -0.014112 0.001737
C 3.67602 4.71084 19.98738 0.000976 -0.001824 0.004049
C 0.73321 7.25743 19.98434 -0.008078 -0.000976 0.00278
C 1.47141 5.98413 19.98891 -0.002104 0.009671 0.006505
C 2.93782 5.98413 19.9879 0.004018 0.005197 0.004845
C 3.67602 7.25743 19.98069 0.023234 0.000339 -0.00037
C 0.73321 9.80403 19.98622 -0.010004 -0.001089 0.004358
C 1.47141 8.53073 19.987 0.002957 -0.002471 0.004214
C 2.93782 8.53073 19.98505 -0.004102 0.000707 0.00225
C 3.67602 9.80403 19.98254 0.015948 0.007164 0.001169
C 0.73321 12.35062 19.98537 0.010364 0.013301 0.004264
C 1.47141 11.07732 19.98801 -0.003297 -0.00074 0.006012
C 2.93782 11.07732 19.98685 0.009139 -0.009438 0.004455
C 3.67602 12.35062 19.98428 -0.007001 0.01561 0.002309
C 0.73321 14.89722 19.97212 0.003867 0.011354 -0.004884
C 1.47141 13.62392 19.97553 0.004501 -0.004454 -0.002758
C 2.93782 13.62392 19.97463 0.003815 0.002147 -0.003533
C 3.67602 14.89722 19.96965 0.006731 -0.00169 -0.00597
C 5.14244 2.16424 19.98365 -0.018363 0.001943 0.001942
C 5.88064 0.89094 19.98544 0.009184 0.001226 0.00286
C 7.34705 0.89094 19.98582 -0.00487 -0.003536 0.003378
C 8.08525 2.16424 19.98476 0.009438 0.001848 0.00316
C 5.14244 4.71084 19.98394 0.008179 0.016479 0.00177
C 5.88064 3.43754 19.98705 -0.005748 -0.003674 0.004471
C 7.34705 3.43754 19.98755 0.005165 -0.005753 0.005363
C 8.08525 4.71084 19.98538 -0.011602 0.015781 0.004038
C 5.14244 7.25743 19.96683 -0.009389 -0.01204 -0.007213
C 5.88064 5.98413 19.97316 -0.00821 0.0041 -0.004265
C 7.34705 5.98413 19.97589 -0.003753 -0.009325 -0.002867
C 8.08525 7.25743 19.97386 -0.003772 0.011914 -0.004228
C 5.14244 9.80403 19.97315 -0.001533 -0.005644 -0.003651
C 5.88064 8.53073 19.96178 -0.004361 0.011847 -0.009202
C 7.34705 8.53073 19.96642 0.00606 -0.00769 -0.007575
C 8.08525 9.80403 19.97911 -0.000787 -0.00984 -0.000586
C 5.14244 12.35062 19.98738 -0.003342 -0.001789 0.004232
C 5.88064 11.07732 19.98339 -0.0048 -0.015307 0.001395
C 7.34705 11.07732 19.98505 0.001908 -0.004987 0.003078
C 8.08525 12.35062 19.98842 -0.002132 -0.004193 0.006212
C 5.14244 14.89722 19.98224 -0.020705 -0.002185 0.000652
C 5.88064 13.62392 19.98819 -0.002897 0.00751 0.005136
C 7.34705 13.62392 19.98838 0.00196 0.007652 0.00623
C 8.08525 14.89722 19.98285 0.007437 0.003258 0.001791
C 4.30305 2.61401 28.13282 -0.00526 0.003293 0.003591
C 5.08483 1.51327 27.97517 0.011619 -0.00574 -0.004349
C 1.12375 1.52033 23.34116 0.008858 -0.001258 -0.001212
C 4.8454 0.35477 28.78132 -0.002969 -0.000947 0.004309
C 2.48094 1.078 23.08812 -0.013838 -0.068075 -0.00031
C 5.70444 1.13862 26.6564 0.004663 0.005334 0.005934
C 4.64735 14.94562 24.28492 0.029589 -0.004323 -0.000723
C 4.21332 2.8227 25.64535 -0.008277 0.017044 0.004627
C 0.90086 2.62199 24.18054 -0.002188 0.017366 0.000881
C 3.3042 2.89485 24.51769 0.011132 0.022561 -0.001086
C 1.12379 14.46909 23.34154 0.031866 0.017882 -0.001302
C 5.02794 1.75312 25.50443 0.004763 -0.016945 -0.003998
C 3.5574 1.76906 23.66452 0.031812 0.011109 4.3e-05
C 8.74777 2.82275 27.63365 0.002351 0.000608 -0.00425
C 7.93308 1.75315 27.77401 0.006981 -0.005846 0.002119
C 3.55741 14.22029 23.66508 0.022819 -0.007173 -0.000413
C 0.83849 2.89474 28.76186 -0.008972 -0.002697 0.000791
C 7.2566 1.13868 26.62182 -0.001165 0.001984 -0.004513
C 2.48096 14.91143 23.08864 -0.025614 0.049161 -0.000265
C 4.64731 1.04363 24.2848 0.020549 0.000573 0.0015
C 3.94367 3.48178 26.95237 0.006829 0.002821 -0.005087
C 2.49151 3.69097 27.16281 -0.008624 -0.002248 0.00233
C 8.65812 2.61402 25.146 0.006672 0.016781 -0.002964
C 0.9009 13.36746 24.18062 0.001876 -0.03194 0.002066
C 0.19912 3.48174 26.32664 -0.008054 0.005843 0.0017
C 2.0144 3.31059 24.76937 0.001841 0.016181 -0.001571
C 1.6513 3.69088 26.11612 0.009083 -0.007232 -0.001036
C 2.01441 12.67878 24.76924 -0.011452 -0.012829 -0.002833
C 3.85183 0.35474 29.77555 0.00193 -0.000843 -0.001234
C 7.87621 1.51332 25.30305 -0.020789 -0.015015 0.001827
C 8.71253 5.73543 25.14622 0.005864 -0.005839 -0.0003
C 0.67602 6.83606 25.3034 0.011824 3.9e-05 -0.002455
C 5.53333 6.82912 29.93945 0.004968 -0.005666 0.000312
C 0.43656 7.99463 24.49636 0.010932 0.00427 0.002272
C 6.89054 7.27148 30.19884 0.017809 -0.003784 -0.000717
C 1.29558 7.21067 26.62192 0.001406 -0.001011 -0.000554
C 0.23844 8.68332 28.99414 -0.001221 -0.001779 -0.001002
C 8.62286 5.52665 27.6337 -0.002763 -0.002874 -0.004557
C 5.31039 5.72746 29.09857 0.011986 -0.003048 -0.000156
C 7.7137 5.45456 28.76186 0.00745 0.00404 0.001375
C 5.53331 9.15993 29.93951 0.005794 0.005061 0.0004
C 0.61912 6.59618 27.77417 -0.006725 0.007219 0.001002
C 7.96696 6.58041 29.6159 0.00559 0.00437 -0.00095
C 4.33875 5.52658 25.64548 0.010466 -0.0139 -0.005651
C 3.52419 6.59622 25.50433 -0.003483 0.018952 0.004362
C 7.96694 9.40866 29.61596 0.006404 -0.00517 -0.000928
C 5.24796 5.45463 24.51762 -0.02269 -0.014061 0.002923
C 2.84773 7.21066 26.65655 -0.004311 -0.004105 -0.002371
C 6.8905 8.71759 30.1989 0.01861 0.003559 -0.000593
C 0.23848 7.30574 28.99414 -0.001516 0.002116 -0.001366
C 8.35305 4.86768 26.32667 0.008554 -0.005659 0.001548
C 6.90088 4.65855 26.11604 -0.007982 0.006331 -0.003622
C 4.24916 5.73536 28.13286 0.005319 -0.006212 -0.000173
C 5.31037 10.26163 29.09872 0.011108 0.003377 -0.000952
C 4.60849 4.86758 26.95218 -0.00854 -0.006164 0.00378
C 6.42389 5.03877 28.50971 -0.00057 0.004728 -0.002496
C 6.06068 4.65844 27.16262 0.009249 0.004176 0.004091
C 6.42387 10.95029 28.50985 -0.000115 -0.003127 -0.001813
C 8.2614 7.99469 23.50324 0.01631 0.004801 -0.002129
C 3.46731 6.83604 27.97515 -0.00892 0.006085 -0.000337
C 8.65811 13.37521 25.1463 -0.00465 -0.008228 -0.004128
C 7.87616 14.47585 25.30325 -0.013569 0.002654 0.001763
C 3.01884 14.4689 29.93945 -0.005453 -0.004469 0.000278
C 8.11561 0.35484 24.49632 -0.008646 0.004483 -0.003858
C 1.66164 14.91127 30.1989 -0.018208 -0.004419 -0.0007
C 7.25659 14.85045 26.62186 -0.001871 -0.000503 -0.002099
C 8.31374 1.04354 28.99402 0.001172 -0.002202 -0.001648
C 8.74778 13.16643 27.63372 0.001818 -0.002767 -0.006935
C 3.24179 13.36724 29.09858 -0.011193 -0.002722 -0.000119
C 0.83848 13.09435 28.76184 -0.007112 0.004192 0.00231
C 3.01887 1.52015 29.93944 -0.005785 0.004874 0.000276
C 7.93306 14.23597 27.77409 0.007065 0.006297 0.001885
C 0.58522 14.2202 29.6159 -0.007454 0.005712 -0.001051
C 4.21343 13.16637 25.64557 -0.008448 -0.013373 -0.005448
C 5.02799 14.23601 25.50439 0.004366 0.01827 0.004277
C 0.58524 1.76888 29.61584 -0.006238 -0.005983 -0.001072
C 3.30422 13.09442 24.51776 0.022495 -0.018076 0.003588
C 5.70445 14.85045 26.65654 0.004989 -0.003943 -0.002614
C 1.66168 1.07781 30.19888 -0.018922 0.004434 -0.000699
C 8.3137 14.94553 28.99409 0.002196 0.003054 -0.00149
C 0.19913 12.50747 26.32665 -0.0089 -0.006136 0.004839
C 1.6513 12.29833 26.11607 0.007186 0.005062 -0.002106
C 4.30302 13.37514 28.13285 -0.004661 -0.005471 0.000417
C 3.24181 2.62184 29.09862 -0.010236 0.002658 -0.001433
C 3.94369 12.50737 26.95225 0.008237 -0.006245 0.002969
C 2.12829 12.67856 28.50976 0.001518 0.003792 -0.002798
C 2.4915 12.29823 27.16267 -0.008009 0.004648 0.003614
C 2.12831 3.3105 28.50974 0.001778 -0.003595 -0.001432
C 0.29078 0.35491 23.50283 -0.021555 0.003811 0.000102
C 5.08487 14.47583 27.97514 0.009417 0.006038 -0.000837
C 4.24913 10.25379 28.13295 0.005112 0.003939 0.002556
C 3.46735 9.15305 27.97522 -0.010716 -0.004711 -0.002746
C 7.42843 9.16012 23.34141 -0.009767 0.001784 -0.000507
C 3.70678 7.99455 28.78138 0.002804 -0.001028 0.003538
C 6.07124 8.71778 23.08836 0.015637 -0.056139 -0.00022
C 2.84774 8.77841 26.65651 -0.004237 0.005075 0.003252
C 3.90483 7.30583 24.28496 -0.028148 -0.002948 -0.000812
C 4.33886 10.46249 25.64547 0.009302 0.016723 0.002499
C 7.65132 10.26177 24.18076 -0.002582 0.015586 -0.001242
C 5.24798 10.53464 24.51776 -0.010803 0.02388 -0.000391
C 7.42839 6.8293 23.34112 -0.026302 0.01367 -0.000591
C 3.52424 9.3929 25.50449 -0.005319 -0.017459 -0.001602
C 4.99478 9.40885 23.66468 -0.03164 0.009073 0.00011
C 8.62287 10.46254 27.63376 -0.002429 0.001063 -0.001719
C 0.61909 9.39294 27.77419 -0.00677 -0.006411 3.5e-05
C 4.99477 6.5805 23.66492 -0.028804 -0.012981 -0.000226
C 7.71369 10.53453 28.76201 0.008987 -0.003051 0.000225
C 1.29558 8.77846 26.62191 0.000288 0.001703 -0.001019
C 6.07122 7.27164 23.08837 0.025312 0.046372 -0.000297
C 3.90487 8.68342 24.28499 -0.021622 -0.002123 0.000941
C 4.6085 11.12157 26.95243 -0.007275 0.002695 -0.003356
C 6.06067 11.33075 27.16287 0.009146 -0.003102 0.004312
C 8.71252 10.25381 25.14616 -0.002429 0.014875 0.000813
C 7.65128 5.72767 24.18058 -0.007836 -0.03019 -0.000601
C 8.35306 11.12153 26.32682 0.009355 0.006246 -0.001315
C 6.53778 10.95038 24.76944 -0.00216 0.017823 -0.000193
C 6.90088 11.33066 26.11625 -0.008606 -0.00719 -0.002564
C 6.53777 5.03899 24.76911 0.015022 -0.015218 -0.000772
C 4.70035 7.99453 29.77561 -0.00208 -0.000849 -0.000975
C 0.67597 9.15311 25.30332 0.017194 -0.010055 -0.002691
168
energy=-1515.04435505 config_type=nep2xyz pbc="T T T" virial="-38.275251950197614 -0.014338969867207535 -0.0031116826104790546 -0.014338969867207535 -43.47012196886238 0.009797595246508374 -0.0031116826104790546 0.009797595246508374 -4.947323052071657" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97797 0.00042 -0.011358 -0.001459
C 1.47141 0.89094 19.96599 -0.006735 -0.005027 -0.007595
C 2.93782 0.89094 19.96128 0.000872 0.007322 -0.009411
C 3.67602 2.16424 19.97164 0.003855 -4.6e-05 -0.004471
C 0.73321 4.71084 19.98828 0.004835 -0.00705 0.006314
C 1.47141 3.43754 19.98372 0.00053 -0.002259 0.001994
C 2.93782 3.43754 19.98183 0.004653 -0.016053 0.000396
C 3.67602 4.71084 19.987 0.00084 -0.00356 0.003838
C 0.73321 7.25743 19.98312 -0.005874 0.001679 0.002027
C 1.47141 5.98413 19.98833 -0.003782 0.008443 0.006351
C 2.93782 5.98413 19.9879 0.005339 0.007379 0.005022
C 3.67602 7.25743 19.98188 0.020155 -0.002227 0.000409
C 0.73321 9.80403 19.9842 -0.008013 0.001116 0.002897
C 1.47141 8.53073 19.98547 0.004547 -0.001718 0.003165
C 2.93782 8.53073 19.98477 -0.008884 0.00113 0.002126
C 3.67602 9.80403 19.98264 0.019007 0.002352 0.001155
C 0.73321 12.35062 19.9865 0.010378 0.013959 0.004991
C 1.47141 11.07732 19.9878 -0.005316 -0.006803 0.005841
C 2.93782 11.07732 19.98718 0.006857 -0.005878 0.004619
C 3.67602 12.35062 19.98505 -0.005691 0.01306 0.002538
C 0.73321 14.89722 19.97497 0.003376 0.012931 -0.003512
C 1.47141 13.62392 19.97845 0.00456 -0.00711 -0.001297
C 2.93782 13.62392 19.976 0.005443 0.008535 -0.002898
C 3.67602 14.89722 19.96818 0.007659 -0.010222 -0.006595
C 5.14244 2.16424 19.98165 -0.017728 0.005304 0.000668
C 5.88064 0.89094 19.98447 0.004481 0.000914 0.001864
C 7.34705 0.89094 19.98652 -0.002945 -0.001353 0.003884
C 8.08525 2.16424 19.98551 0.009123 -9.1e-05 0.00388
C 5.14244 4.71084 19.98522 0.005147 0.012361 0.002706
C 5.88064 3.43754 19.98698 -0.008937 -0.009349 0.004678
C 7.34705 3.43754 19.98821 0.004021 -0.003603 0.006252
C 8.08525 4.71084 19.98651 -0.010043 0.012887 0.005084
C 5.14244 7.25743 19.97019 -0.006313 -0.002414 -0.005783
C 5.88064 5.98413 19.97695 -0.002475 0.006743 -0.002476
C 7.34705 5.98413 19.9781 -0.005239 -0.005202 -0.00149
C 8.08525 7.25743 19.97343 -0.00231 0.013165 -0.004358
C 5.14244 9.80403 19.97319 -0.003431 -0.003859 -0.003848
C 5.88064 8.53073 19.96248 -0.008697 0.005467 -0.008954
C 7.34705 8.53073 19.96465 0.010496 -0.004406 -0.0081
C 8.08525 9.80403 19.97644 0.003391 -0.012967 -0.002189
C 5.14244 12.35062 19.98703 0.000232 -0.003417 0.003811
C 5.88064 11.07732 19.9824 -0.004426 -0.014705 0.000624
C 7.34705 11.07732 19.98335 -0.001385 -0.000464 0.001789
C 8.08525 12.35062 19.98831 -0.005395 -0.008192 0.006353
C 5.14244 14.89722 19.9807 -0.021287 -0.001359 -0.000261
C 5.88064 13.62392 19.98767 -0.006219 0.007073 0.004858
C 7.34705 13.62392 19.98876 0.003442 0.008581 0.006654
C 8.08525 14.89722 19.98443 0.006924 -0.000654 0.003066
C 4.54061 2.85157 28.13296 -0.005013 0.004912 0.002181
C 5.32239 1.75083 27.97529 0.011556 -0.00578 -0.002783
C 1.36131 1.75789 23.34085 0.011084 0.002763 -0.0002
C 5.08296 0.59233 28.78145 -0.002344 -0.000915 0.003854
C 2.7185 1.31556 23.08872 -0.013177 -0.056305 -0.00022
C 5.942 1.37618 26.6566 0.004432 0.005241 0.003254
C 4.88491 15.18318 24.2853 0.027902 0.004249 -0.00096
C 4.45088 3.06026 25.64559 -0.007396 0.016378 0.000441
C 1.13842 2.85955 24.18057 0.004635 0.019755 -0.002147
C 3.54176 3.13241 24.51774 0.017382 0.021813 0.000467
C 1.36135 14.70665 23.34072 0.02387 0.008191 -0.000261
C 5.2655 1.99068 25.50466 0.004091 -0.01559 -0.000657
C 3.79496 2.00662 23.66496 0.023903 0.009714 0.000121
C 0.16687 3.06031 27.63369 0.00192 0.000897 -0.004091
C 8.17064 1.99071 27.77406 0.007564 -0.006271 0.001502
C 3.79497 14.45785 23.66518 0.021335 -0.01168 -0.000136
C 1.07605 3.1323 28.7619 -0.009149 -0.003291 0.001304
C 7.49416 1.37624 26.62181 -0.000345 0.001849 -0.002043
C 2.71852 15.14899 23.08878 -0.020046 0.047893 -0.000357
C 4.88487 1.28119 24.28528 0.023396 -0.008033 0.000792
C 4.18123 3.71934 26.95243 0.007067 0.004063 -0.001677
C 2.72907 3.92853 27.16282 -0.009604 -0.002915 0.003573
C 0.07722 2.85158 25.14599 0.00322 0.014046 0.001415
C 1.13846 13.60502 24.18048 0.007503 -0.030286 -0.001633
C 0.43668 3.7193 26.32668 -0.008981 0.004441 -0.00024
C 2.25196 3.54815 24.76929 -0.007457 0.017556 -0.00025
C 1.88886 3.92844 26.11615 0.010314 -0.007408 -0.002103
C 2.25197 12.91634 24.76907 -0.019747 -0.015762 -0.000734
C 4.08939 0.5923 29.77565 0.001448 -0.000591 -0.001058
C 8.11377 1.75088 25.30315 -0.017916 -0.010726 -0.003749
C 0.13163 5.97299 25.14613 0.002472 -0.009004 -0.002378
C 0.91358 7.07362 25.30314 0.015607 0.005242 -3.1e-05
C 5.77089 7.06668 29.93947 0.006218 -0.005099 0.000313
C 0.67412 8.23219 24.49612 0.00945 0.003488 -0.000994
C 7.1281 7.50904 30.19886 0.01935 -0.004068 -0.000729
C 1.53314 7.44823 26.6218 0.000754 -0.000502 -0.002606
C 0.476 8.92088 28.99404 -0.000662 -0.002266 -0.001439
C 0.04196 5.76421 27.63367 -0.00286 -0.003547 -0.00664
C 5.54795 5.96502 29.09861 0.011473 -0.003158 -0.000137
C 7.95126 5.69212 28.76182 0.008217 0.004753 0.002132
C 5.77087 9.39749 29.93948 0.006728 0.005519 0.00036
C 0.85668 6.83374 27.77403 -0.008053 0.007212 0.002438
C 8.20452 6.81797 29.61586 0.006605 0.004322 -0.001166
C 4.57631 5.76414 25.64562 0.008953 -0.013507 -0.005811
C 3.76175 6.83378 25.50454 -0.004557 0.016782 0.004015
C 8.2045 9.64622 29.61586 0.005441 -0.005179 -0.001166
C 5.48552 5.69219 24.51773 -0.024085 -0.020489 0.003657
C 3.08529 7.44822 26.65661 -0.005049 -0.004123 -0.001173
C 7.12806 8.95515 30.19889 0.020883 0.0036 -0.000713
C 0.47604 7.5433 28.99407 -0.001476 0.002945 -0.001769
C 8.59061 5.10524 26.32659 0.008834 -0.005775 0.003339
C 7.13844 4.89611 26.11599 -0.008539 0.006147 -0.000151
C 4.48672 5.97292 28.1329 0.005723 -0.006942 0.000553
C 5.54793 10.49919 29.09866 0.011207 0.002652 -0.000955
C 4.84605 5.10514 26.95227 -0.009091 -0.0063 0.003561
C 6.66145 5.27633 28.50973 -0.000795 0.004347 -0.001905
C 6.29824 4.896 27.16267 0.0106 0.004156 0.001162
C 6.66143 11.18785 28.50974 -0.000912 -0.003739 -0.001989
C 8.49896 8.23225 23.50267 0.023071 0.003361 -0.001013
C 3.70487 7.0736 27.97523 -0.00985 0.006477 -0.001246
C 0.07721 13.61277 25.14606 -0.002487 -0.008219 0.000809
C 8.11372 14.71341 25.30322 -0.014081 0.00512 -0.004202
C 3.25641 14.70646 29.93949 -0.006208 -0.004791 0.00032
C 8.35318 0.5924 24.49602 -0.009794 0.002815 0.004403
C 1.8992 15.14883 30.19892 -0.018699 -0.003931 -0.000718
C 7.49416 15.08802 26.62181 -0.000891 -0.001725 0.000345
C 8.5513 1.2811 28.99405 0.001269 -0.002186 -0.001621
C 0.16688 13.40399 27.63368 0.002813 -0.003248 -0.005373
C 3.47935 13.6048 29.09861 -0.012268 -0.003168 -2.3e-05
C 1.07604 13.33191 28.76186 -0.008829 0.004413 0.001871
C 3.25643 1.75771 29.93952 -0.007102 0.005281 0.000388
C 8.17062 14.47353 27.77407 0.006972 0.007038 0.000891
C 0.82278 14.45776 29.61589 -0.007157 0.005235 -0.001185
C 4.45099 13.40393 25.64561 -0.008771 -0.013148 -0.006616
C 5.26555 14.47357 25.50456 0.003437 0.017413 0.005329
C 0.8228 2.00644 29.61588 -0.006734 -0.005634 -0.001179
C 3.54178 13.33198 24.51764 0.026198 -0.015681 0.003449
C 5.94201 15.08801 26.65668 0.004698 -0.003994 -0.003341
C 1.89924 1.31537 30.19892 -0.020334 0.003925 -0.000652
C 8.55126 15.18309 28.99407 0.00137 0.00291 -0.001417
C 0.43669 12.74503 26.32661 -0.008295 -0.005723 0.001487
C 1.88886 12.53589 26.116 0.009664 0.00652 -0.002971
C 4.54058 13.6127 28.13292 -0.004983 -0.006861 -4.6e-05
C 3.47937 2.85941 29.0987 -0.011809 0.002832 -0.000742
C 4.18125 12.74493 26.95225 0.008589 -0.006556 0.003989
C 2.36585 12.91612 28.50973 0.001392 0.0049 -0.002653
C 2.72906 12.53579 27.16264 -0.009231 0.003828 0.003628
C 2.36587 3.54806 28.5098 0.001382 -0.003517 -0.002141
C 0.52834 0.59247 23.50287 -0.018137 0.003463 -0.003142
C 5.32243 14.71339 27.97525 0.00915 0.006052 -0.000182
C 4.48669 10.49135 28.13291 0.005967 0.004697 0.002459
C 3.70491 9.39061 27.97524 -0.010945 -0.00533 -0.002783
C 7.66599 9.39768 23.34094 -0.013796 -0.002169 -0.000912
C 3.94434 8.23211 28.7814 0.003135 -0.000252 0.004365
C 6.3088 8.95535 23.08886 0.014006 -0.065865 -0.000229
C 3.0853 9.01597 26.65655 -0.00511 0.005433 0.002181
C 4.14239 7.54339 24.28521 -0.030631 0.003467 -0.000487
C 4.57642 10.70005 25.64554 0.008522 0.016223 1.6e-05
C 7.88888 10.49933 24.1805 1.2e-05 0.022486 7.4e-05
C 5.48554 10.7722 24.51772 -0.015279 0.024858 0.001083
C 7.66595 7.06686 23.34114 -0.029046 0.012815 -0.000938
C 3.7618 9.63046 25.50456 -0.005967 -0.01565 0.000145
C 5.23234 9.64641 23.66487 -0.025079 0.011993 -7.9e-05
C 0.04197 10.7001 27.63364 -0.003153 0.001204 -0.004134
C 0.85666 9.6305 27.77404 -0.008009 -0.006009 0.001099
C 5.23233 6.81806 23.66524 -0.019625 -0.009745 -0.000246
C 7.95125 10.77209 28.76186 0.009214 -0.004041 0.00083
C 1.53314 9.01602 26.62179 -0.000675 0.002573 -0.002144
C 6.30878 7.5092 23.08919 0.021585 0.053301 -0.000228
C 4.14243 8.92098 24.28515 -0.023648 -0.006197 0.000536
C 4.84607 11.35913 26.95238 -0.007573 0.003742 -0.001875
C 6.29823 11.56831 27.16276 0.010565 -0.003551 0.003229
C 0.13162 10.49137 25.14594 -0.005451 0.014851 -0.001483
C 7.88884 5.96523 24.18053 -0.002703 -0.03324 0.000767
C 8.59062 11.35909 26.32661 0.008439 0.005003 0.001078
C 6.77534 11.18794 24.7693 0.004106 0.01586 -0.001546
C 7.13844 11.56822 26.11608 -0.008728 -0.007127 -0.001629
C 6.77533 5.27656 24.76917 0.012913 -0.01387 -0.002421
C 4.93791 8.23209 29.77563 -0.001537 -0.000582 -0.001213
C 0.91353 9.39067 25.30305 0.020804 -0.01281 -0.000499
168
energy=-1515.0452442 config_type=nep2xyz pbc="T T T" virial="-38.24611146304812 -0.006013116395925741 0.013245675977039219 -0.006013116395925741 -43.45191442061457 0.007358708876132899 0.013245675977039219 0.007358708876132899 -4.967843337394816" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97855 0.003231 -0.008393 -0.000995
C 1.47141 0.89094 19.96789 0.001109 -0.001065 -0.006762
C 2.93782 0.89094 19.9604 -0.010456 0.002086 -0.009762
C 3.67602 2.16424 19.96884 0.004997 0.009229 -0.005975
C 0.73321 4.71084 19.98776 0.007072 -0.008368 0.005754
C 1.47141 3.43754 19.98249 0.001079 -0.000658 0.001276
C 2.93782 3.43754 19.97929 0.00608 -0.014713 -0.000861
C 3.67602 4.71084 19.98648 -0.00222 -0.007314 0.003708
C 0.73321 7.25743 19.9815 -0.004337 0.000814 0.000866
C 1.47141 5.98413 19.98754 -0.006394 0.009265 0.00544
C 2.93782 5.98413 19.9879 0.005525 0.006392 0.005094
C 3.67602 7.25743 19.98332 0.017453 -0.002114 0.001473
C 0.73321 9.80403 19.98172 -0.005051 0.000103 0.001104
C 1.47141 8.53073 19.98364 0.006659 0.000193 0.00174
C 2.93782 8.53073 19.9848 -0.013396 0.000936 0.002292
C 3.67602 9.80403 19.98345 0.018125 0.001146 0.001722
C 0.73321 12.35062 19.9874 0.008429 0.011523 0.005628
C 1.47141 11.07732 19.98741 -0.007002 -0.010001 0.00536
C 2.93782 11.07732 19.98772 0.005627 -0.00514 0.005139
C 3.67602 12.35062 19.98606 -0.003908 0.010215 0.003414
C 0.73321 14.89722 19.97792 0.003409 0.008665 -0.001413
C 1.47141 13.62392 19.98141 0.002556 -0.002783 0.00058
C 2.93782 13.62392 19.97802 0.006422 0.012706 -0.001541
C 3.67602 14.89722 19.96804 0.005744 -0.012863 -0.006391
C 5.14244 2.16424 19.97983 -0.016836 0.005626 -0.000482
C 5.88064 0.89094 19.98374 -0.001022 0.00059 0.001333
C 7.34705 0.89094 19.98724 -0.001683 0.000516 0.004605
C 8.08525 2.16424 19.98627 0.009304 8.5e-05 0.004655
C 5.14244 4.71084 19.98636 0.004312 0.008971 0.003649
C 5.88064 3.43754 19.98694 -0.010313 -0.011591 0.004745
C 7.34705 3.43754 19.98881 0.003006 -0.003582 0.007086
C 8.08525 4.71084 19.98743 -0.008463 0.011128 0.00582
C 5.14244 7.25743 19.97384 -0.003216 0.006529 -0.003933
C 5.88064 5.98413 19.9805 -0.000296 0.006633 -0.000565
C 7.34705 5.98413 19.98003 -0.004701 -0.001625 -0.000247
C 8.08525 7.25743 19.97254 0.002953 0.010844 -0.004456
C 5.14244 9.80403 19.97439 -0.002921 -0.007433 -0.003543
C 5.88064 8.53073 19.96412 -0.015245 0.000912 -0.008147
C 7.34705 8.53073 19.96306 0.011422 -0.000415 -0.008677
C 8.08525 9.80403 19.97321 0.004574 -0.011826 -0.004047
C 5.14244 12.35062 19.98674 0.003716 -0.006101 0.003835
C 5.88064 11.07732 19.98159 -0.001881 -0.009132 0.000142
C 7.34705 11.07732 19.98117 -0.003417 0.000658 0.00045
C 8.08525 12.35062 19.98783 -0.007605 -0.009717 0.006102
C 5.14244 14.89722 19.9796 -0.017561 -0.004387 -0.000639
C 5.88064 13.62392 19.98712 -0.009484 0.010131 0.004773
C 7.34705 13.62392 19.98896 0.003011 0.00544 0.007055
C 8.08525 14.89722 19.98602 0.009123 -0.001086 0.00457
C 4.77817 3.08913 28.13299 -0.004954 0.005226 0.000458
C 5.55995 1.98839 27.97528 0.0107 -0.005812 -0.000704
C 1.59887 1.99545 23.34048 0.013102 0.000975 -1.9e-05
C 5.32052 0.82989 28.78147 -0.002699 -0.000457 0.002297
C 2.95606 1.55312 23.08848 -0.012367 -0.042999 -0.000353
C 6.17956 1.61374 26.65667 0.00579 0.005565 -0.000191
C 5.12247 0.14117 24.28535 0.025644 0.008876 -0.000755
C 4.68844 3.29782 25.64566 -0.006159 0.01541 -0.002401
C 1.37598 3.09711 24.18046 0.010309 0.019394 -0.003342
C 3.77932 3.36997 24.51766 0.020909 0.016357 0.001148
C 1.59891 14.94421 23.34034 0.014504 -8.8e-05 -0.000211
C 5.50306 2.22824 25.50469 0.00304 -0.015388 0.001896
C 4.03252 2.24418 23.66507 0.022444 0.010635 2.8e-05
C 0.40443 3.29787 27.63363 0.00251 0.001173 -0.001905
C 8.40821 2.22827 27.77408 0.007714 -0.005931 -0.000807
C 4.03253 14.69541 23.665 0.022751 -0.012649 -0.000106
C 1.31361 3.36986 28.76188 -0.008469 -0.002879 0.000174
C 7.73172 1.6138 26.62177 -0.000677 0.001922 0.000747
C 2.95608 0.10697 23.08838 -0.013762 0.041735 -0.000394
C 5.12243 1.51875 24.2854 0.026009 -0.00954 -4.3e-05
C 4.4188 3.9569 26.95237 0.008495 0.005031 0.001118
C 2.96663 4.16609 27.16271 -0.011249 -0.003932 0.003842
C 0.31478 3.08915 25.14595 -7e-05 0.012107 0.002963
C 1.37602 13.84258 24.18038 0.01056 -0.023983 -0.003017
C 0.67424 3.95686 26.32666 -0.007307 0.004821 -0.002076
C 2.48952 3.78571 24.7691 -0.015329 0.018376 0.000725
C 2.12642 4.166 26.11606 0.008946 -0.00711 -0.003583
C 2.48953 13.1539 24.76893 -0.017912 -0.018599 0.000231
C 4.32695 0.82986 29.77565 0.000963 -0.000544 -0.000651
C 8.35133 1.98845 25.30321 -0.01506 -0.005757 -0.006076
C 0.36919 6.21055 25.14605 -0.001477 -0.012445 -0.004115
C 1.15114 7.31118 25.303 0.019025 0.010366 0.002453
C 6.00845 7.30424 29.93945 0.005736 -0.004089 0.000275
C 0.91169 8.46975 24.49618 0.011184 0.00052 -0.004775
C 7.36566 7.7466 30.19888 0.018771 -0.003573 -0.000836
C 1.77071 7.68579 26.62175 0.000223 -0.001461 -0.003363
C 0.71356 9.15844 28.99396 -0.00119 -0.002423 -0.001666
C 0.27952 6.00177 27.63363 -0.002219 -0.003183 -0.006155
C 5.78551 6.20258 29.0986 0.011679 -0.003293 -0.00028
C 8.18882 5.92968 28.76183 0.009422 0.005178 0.001748
C 6.00843 9.63505 29.93945 0.006161 0.005669 0.000297
C 1.09424 7.0713 27.77397 -0.006729 0.006659 0.002173
C 8.44208 7.05554 29.61583 0.007302 0.004541 -0.001175
C 4.81387 6.0017 25.64552 0.009067 -0.014642 -0.001935
C 3.99931 7.07134 25.5045 -0.006066 0.017651 0.00178
C 8.44206 9.88378 29.61579 0.006913 -0.005786 -0.001095
C 5.72308 5.92975 24.51777 -0.020113 -0.027378 0.002035
C 3.32285 7.68578 26.65655 -0.005001 -0.004138 0.000351
C 7.36562 9.19271 30.19885 0.020069 0.003669 -0.000738
C 0.7136 7.78086 28.99399 -0.001588 0.003764 -0.001632
C 0.00971 5.3428 26.32654 0.009066 -0.005439 0.003896
C 7.376 5.13367 26.11601 -0.010237 0.006424 -0.000312
C 4.72428 6.21048 28.13288 0.004007 -0.005739 0.001369
C 5.78549 10.73675 29.09862 0.011668 0.002714 -0.000779
C 5.08361 5.3427 26.95231 -0.008003 -0.004621 0.000472
C 6.89901 5.51389 28.50972 -0.002083 0.004213 -0.001667
C 6.5358 5.13356 27.16271 0.009845 0.003415 0.001381
C 6.89899 11.42541 28.50972 -0.00084 -0.003398 -0.001598
C 8.73652 8.46981 23.50257 0.0214 0.000113 0.000373
C 3.94243 7.31116 27.97519 -0.009928 0.005962 -0.00155
C 0.31477 13.85033 25.14587 -0.000552 -0.010906 0.002278
C 8.35128 14.95097 25.30313 -0.014978 0.007231 -0.005624
C 3.49397 14.94402 29.93944 -0.006768 -0.005686 9.4e-05
C 8.59074 0.82996 24.49594 -0.012716 0.000136 0.006412
C 2.13676 0.10682 30.19883 -0.018661 -0.004619 -0.000822
C 7.73172 0.046 26.62173 -0.001029 -0.001314 -0.000165
C 8.78886 1.51866 28.99404 0.001311 -0.001633 -0.001084
C 0.40444 13.64155 27.63354 0.004288 -0.00286 -0.004249
C 3.71691 13.84237 29.09853 -0.013039 -0.003042 0.000185
C 1.3136 13.56947 28.76175 -0.008401 0.0046 0.001255
C 3.49399 1.99527 29.93951 -0.006841 0.006026 0.000196
C 8.40818 14.71109 27.774 0.008145 0.007131 0.000678
C 1.06034 14.69532 29.61581 -0.00544 0.004142 -0.001256
C 4.68855 13.64149 25.64548 -0.008044 -0.013416 -0.005466
C 5.50311 14.71113 25.50456 0.003213 0.016353 0.00421
C 1.06036 2.244 29.61587 -0.006111 -0.005835 -0.001155
C 3.77934 13.56954 24.51743 0.02334 -0.013822 0.002383
C 6.17957 0.046 26.65666 0.005796 -0.004165 -0.002286
C 2.1368 1.55293 30.19888 -0.020753 0.003362 -0.000762
C 8.78882 0.14108 28.99404 0.001793 0.002334 -0.001643
C 0.67425 12.98259 26.3265 -0.007442 -0.005002 -0.000321
C 2.12642 12.77345 26.11587 0.008581 0.007658 -0.004098
C 4.77814 13.85026 28.13285 -0.00615 -0.007538 -0.000679
C 3.71693 3.09697 29.09868 -0.012616 0.003162 -0.000298
C 4.41881 12.98249 26.95216 0.007461 -0.005491 0.003629
C 2.60341 13.15368 28.5096 0.001111 0.004962 -0.002782
C 2.96662 12.77335 27.16249 -0.010293 0.003792 0.004083
C 2.60343 3.78562 28.50974 0.000101 -0.004017 -0.002056
C 0.7659 0.83003 23.50296 -0.011688 0.000898 -0.004059
C 5.55999 14.95095 27.97522 0.010215 0.005998 0.000233
C 4.72425 10.72891 28.13289 0.004995 0.004992 0.002258
C 3.94247 9.62817 27.97521 -0.011288 -0.005829 -0.00251
C 7.90355 9.63524 23.34129 -0.023163 -0.012098 -0.001243
C 4.1819 8.46967 28.78137 0.002172 -0.00148 0.00376
C 6.54636 9.19291 23.08965 0.018218 -0.071545 -0.000175
C 3.32286 9.25353 26.65652 -0.004718 0.005794 0.002656
C 4.37995 7.78095 24.28517 -0.031612 0.008109 8.2e-05
C 4.81398 10.93761 25.64553 0.008267 0.017261 0.001004
C 8.12644 10.73689 24.18051 0.002382 0.031459 0.001431
C 5.7231 11.00976 24.5178 -0.018313 0.027682 0.00066
C 7.90351 7.30442 23.34139 -0.027431 0.013793 -0.00127
C 3.99936 9.86802 25.50456 -0.005854 -0.016157 -0.000648
C 5.4699 9.88397 23.66495 -0.022469 0.012851 4.7e-05
C 0.27953 10.93766 27.63364 -0.001897 0.001703 -0.005387
C 1.09422 9.86806 27.77397 -0.007591 -0.005661 0.001997
C 5.46989 7.05562 23.66507 -0.019785 -0.012645 -1.3e-05
C 8.18881 11.00965 28.76183 0.009063 -0.00401 0.001281
C 1.7707 9.25358 26.62178 0.000413 0.002057 -0.003734
C 6.54634 7.74676 23.08979 0.020221 0.065833 -0.000161
C 4.37999 9.15854 24.28515 -0.03037 -0.008594 0.000764
C 5.08363 11.59669 26.95238 -0.007431 0.003973 -0.002198
C 6.53579 11.80587 27.16277 0.009683 -0.003597 0.002596
C 0.36918 10.72893 25.14602 -0.002605 0.012469 -0.003756
C 8.1264 6.20279 24.18054 0.002167 -0.03473 0.00187
C 0.00972 11.59665 26.32657 0.009123 0.004671 0.003226
C 7.0129 11.4255 24.76928 0.00599 0.015537 -0.001689
C 7.376 11.80578 26.11608 -0.010123 -0.006548 -0.001614
C 7.01289 5.51412 24.76925 0.00695 -0.015316 -0.002451
C 5.17547 8.46965 29.77557 -0.001363 -0.000463 -0.000855
C 1.15109 9.62823 25.30301 0.020563 -0.010168 0.00234
168
energy=-1515.04606961 config_type=nep2xyz pbc="T T T" virial="-38.22874491010045 0.05193145978299503 0.02337966934359938 0.05193145978299503 -43.4618381651561 0.007232559581113478 0.02337966934359938 0.007232559581113478 -4.988405672482982" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97874 0.001151 -0.005465 -0.000831
C 1.47141 0.89094 19.96993 0.009773 0.004664 -0.005476
C 2.93782 0.89094 19.96035 -0.015903 -0.005728 -0.009076
C 3.67602 2.16424 19.96638 0.004633 0.017252 -0.006623
C 0.73321 4.71084 19.987 0.009768 -0.011338 0.004692
C 1.47141 3.43754 19.98088 0.001772 0.003837 0.000291
C 2.93782 3.43754 19.97641 0.007927 -0.011412 -0.002015
C 3.67602 4.71084 19.98581 -0.006151 -0.010241 0.003171
C 0.73321 7.25743 19.97983 -0.003771 -0.004954 -0.00032
C 1.47141 5.98413 19.98669 -0.00973 0.012633 0.004165
C 2.93782 5.98413 19.98794 0.004679 0.001832 0.004837
C 3.67602 7.25743 19.98495 0.01544 0.000901 0.002777
C 0.73321 9.80403 19.97904 -0.004038 -0.003525 -0.000743
C 1.47141 8.53073 19.9818 0.009729 0.003176 0.000366
C 2.93782 8.53073 19.98514 -0.016806 0.00021 0.002544
C 3.67602 9.80403 19.9847 0.013188 0.002976 0.002381
C 0.73321 12.35062 19.98789 0.005986 0.005268 0.005534
C 1.47141 11.07732 19.98676 -0.007203 -0.008077 0.004588
C 2.93782 11.07732 19.98827 0.004021 -0.008702 0.005299
C 3.67602 12.35062 19.98704 -0.000916 0.009231 0.00425
C 0.73321 14.89722 19.98054 0.003798 0.000373 0.000408
C 1.47141 13.62392 19.98397 -0.001133 0.005699 0.002263
C 2.93782 13.62392 19.98024 0.00644 0.013043 6.4e-05
C 3.67602 14.89722 19.96885 0.003 -0.00713 -0.005308
C 5.14244 2.16424 19.97811 -0.014325 0.001845 -0.001217
C 5.88064 0.89094 19.98318 -0.005244 0.003148 0.001007
C 7.34705 0.89094 19.98778 -0.000959 4.1e-05 0.004888
C 8.08525 2.16424 19.98673 0.010862 0.002275 0.004818
C 5.14244 4.71084 19.98728 0.006013 0.006608 0.004131
C 5.88064 3.43754 19.98679 -0.009587 -0.010353 0.004521
C 7.34705 3.43754 19.98919 0.000732 -0.006804 0.006984
C 8.08525 4.71084 19.98803 -0.00621 0.011351 0.005793
C 5.14244 7.25743 19.97757 -8.7e-05 0.009955 -0.001685
C 5.88064 5.98413 19.98355 -0.003239 0.005685 0.001383
C 7.34705 5.98413 19.98163 -0.001022 0.001599 0.000758
C 8.08525 7.25743 19.97155 0.007369 0.006254 -0.00453
C 5.14244 9.80403 19.97635 0.000187 -0.013414 -0.002554
C 5.88064 8.53073 19.96662 -0.017984 0.000859 -0.00658
C 7.34705 8.53073 19.96202 0.008124 -3.7e-05 -0.008546
C 8.08525 9.80403 19.96961 0.003817 -0.004506 -0.005667
C 5.14244 12.35062 19.98643 0.006889 -0.010169 0.003855
C 5.88064 11.07732 19.98077 0.001613 0.000156 -0.000204
C 7.34705 11.07732 19.97842 -0.003808 -0.004104 -0.00096
C 8.08525 12.35062 19.98696 -0.007819 -0.008137 0.005126
C 5.14244 14.89722 19.97906 -0.01222 -0.011219 -0.000548
C 5.88064 13.62392 19.98664 -0.012831 0.015478 0.004552
C 7.34705 13.62392 19.98901 0.001458 -0.000198 0.006859
C 8.08525 14.89722 19.98739 0.010283 0.002424 0.005409
C 5.01573 3.32669 28.13289 -0.005135 0.005425 0.000721
C 5.79751 2.22595 27.97518 0.010621 -0.005931 -0.00052
C 1.83643 2.23301 23.34036 0.012164 -0.003015 -0.001002
C 5.55808 1.06745 28.78143 -0.001508 -0.000257 0.000835
C 3.19362 1.79068 23.08771 -0.013098 -0.037778 -0.000461
C 6.41712 1.8513 26.65654 0.005007 0.005845 0.00061
C 5.36003 0.37873 24.28511 0.025665 0.008404 0.000529
C 4.926 3.53539 25.64543 -0.007182 0.016463 0.001692
C 1.61354 3.33467 24.18039 0.011784 0.020745 -0.000322
C 4.01688 3.60753 24.51749 0.019854 0.008588 -0.000707
C 1.83647 15.18177 23.3408 0.010249 -0.000799 -0.001035
C 5.74063 2.4658 25.50452 0.000504 -0.016771 -0.000721
C 4.27008 2.48174 23.66472 0.026003 0.015757 -7.2e-05
C 0.64199 3.53543 27.63364 0.002981 0.001177 -0.00245
C 8.64577 2.46583 27.7741 0.007494 -0.005637 -0.00026
C 4.27009 14.93297 23.66473 0.024311 -0.010239 1.7e-05
C 1.55117 3.60742 28.76188 -0.008548 -0.002475 -0.000354
C 7.96928 1.85136 26.62184 -0.000668 0.001772 -0.001762
C 3.19364 0.34454 23.08806 -0.013496 0.034427 -0.00043
C 5.35999 1.75631 24.28509 0.027412 -0.005772 0.000272
C 4.65636 4.19446 26.95227 0.007332 0.005477 -0.00222
C 3.20419 4.40365 27.16267 -0.009997 -0.004168 0.002848
C 0.55234 3.32671 25.14605 -9.8e-05 0.010769 -0.002121
C 1.61358 14.08014 24.1805 0.008919 -0.018502 -8.6e-05
C 0.9118 4.19442 26.32662 -0.006676 0.004194 0.001463
C 2.72708 4.02327 24.76902 -0.0185 0.019664 0.000122
C 2.36398 4.40356 26.11604 0.01055 -0.008037 -0.003734
C 2.72709 13.39146 24.76904 -0.011174 -0.020847 0.000546
C 4.56451 1.06743 29.7756 0.000738 -0.000358 -5e-05
C 8.5889 2.22601 25.30321 -0.014993 -0.00265 0.000332
C 0.60675 6.44811 25.14587 -0.000555 -0.017045 0.001525
C 1.3887 7.54874 25.30305 0.017912 0.01418 -0.003468
C 6.24602 7.5418 29.93937 0.005259 -0.00538 -0.000315
C 1.14925 8.70731 24.49635 0.020409 -0.002485 0.001836
C 7.60322 7.98416 30.19889 0.018934 -0.004953 -0.000755
C 2.00827 7.92335 26.62167 0.001072 -0.002761 0.00192
C 0.95112 9.39601 28.99402 -0.002068 -0.002142 -0.000741
C 0.51708 6.23933 27.63344 -0.003178 -0.000407 0.002629
C 6.02307 6.44014 29.09848 0.011737 -0.002842 0.000598
C 8.42638 6.16724 28.76179 0.010074 0.004276 -0.002011
C 6.24599 9.87261 29.93942 0.00484 0.00448 6e-06
C 1.3318 7.30886 27.77401 -0.005881 0.006173 -0.003307
C 8.67964 7.2931 29.61576 0.005697 0.004121 -0.000859
C 5.05143 6.23926 25.64524 0.012417 -0.015793 -0.001785
C 4.23687 7.3089 25.50419 -0.008737 0.020039 0.001812
C 8.67962 10.12134 29.61588 0.006922 -0.005403 -0.000666
C 5.96064 6.16731 24.51759 -0.01309 -0.028606 0.000553
C 3.56041 7.92334 26.65637 -0.004649 -0.004258 -0.001781
C 7.60318 9.43027 30.19891 0.018841 0.002583 -0.000706
C 0.95116 8.01843 28.99394 -0.002323 0.003414 -0.000347
C 0.24727 5.58036 26.32658 0.007631 -0.004935 -0.004993
C 7.61356 5.37123 26.11586 -0.011572 0.007048 0.006693
C 4.96184 6.44804 28.13275 0.003575 -0.005408 -0.001284
C 6.02305 10.97431 29.0986 0.010971 0.002006 0.000388
C 5.32118 5.58026 26.95213 -0.006104 -0.003517 0.002991
C 7.13658 5.75145 28.50955 -0.001609 0.005651 0.001377
C 6.77336 5.37113 27.16272 0.010904 0.001766 -0.00744
C 7.13655 11.66297 28.50979 -0.001859 -0.002697 -0.001628
C 0.15562 8.70737 23.50294 0.012131 -0.000992 -0.001813
C 4.17999 7.54872 27.97497 -0.008924 0.006007 0.002054
C 0.55233 14.08789 25.14602 0.001126 -0.014893 -0.001934
C 8.58884 15.18853 25.30312 -0.014578 0.007458 0.000304
C 3.73153 15.18158 29.93943 -0.006153 -0.005084 4.3e-05
C 0.00984 1.06752 24.49622 -0.012591 -0.001334 -0.002658
C 2.37432 0.34438 30.19884 -0.017679 -0.003959 -0.000765
C 7.96928 0.28356 26.62181 -0.000514 -0.001621 -0.001637
C 0.20796 1.75622 28.99406 0.001107 -0.000728 -0.001206
C 0.642 13.87911 27.63358 0.003924 -0.001784 -0.001827
C 3.95447 14.07993 29.09854 -0.013077 -0.003329 -0.000525
C 1.55116 13.80703 28.76184 -0.008825 0.003878 -0.000517
C 3.73155 2.23283 29.93944 -0.006082 0.006995 -8.9e-05
C 8.64574 14.94865 27.77411 0.007305 0.006766 -0.000549
C 1.2979 14.93288 29.61585 -0.00599 0.003755 -0.000882
C 4.92611 13.87905 25.64532 -0.007965 -0.015132 0.002523
C 5.74067 14.94869 25.5045 0.001794 0.016762 -0.001425
C 1.29792 2.48156 29.61588 -0.006416 -0.005151 -0.000946
C 4.0169 13.8071 24.51745 0.017057 -0.015166 -0.000962
C 6.41713 0.28356 26.65654 0.005364 -0.003295 0.001366
C 2.37436 1.79049 30.19886 -0.019032 0.003061 -0.000875
C 0.20792 0.37864 28.99409 0.001248 0.002582 -0.001045
C 0.91181 13.22015 26.32659 -0.008011 -0.005338 0.001053
C 2.36398 13.01101 26.11598 0.008555 0.007575 -0.005023
C 5.0157 14.08782 28.13282 -0.005075 -0.005334 0.001006
C 3.95449 3.33453 29.0986 -0.012466 0.002878 -0.000446
C 4.65637 13.22005 26.95223 0.007469 -0.004757 -0.002498
C 2.84097 13.39124 28.50962 0.001142 0.004945 -0.001251
C 3.20418 13.01091 27.16257 -0.008488 0.003205 0.004297
C 2.84099 4.02318 28.50968 -0.000458 -0.0043 -0.001141
C 1.00346 1.06759 23.50316 -0.004758 -0.001838 -0.000398
C 5.79755 15.18851 27.97518 0.010396 0.005801 -0.000766
C 4.96181 10.96648 28.13287 0.003721 0.004475 -0.000568
C 4.18003 9.86573 27.97502 -0.009386 -0.005461 0.001427
C 8.14111 9.8728 23.34217 -0.03248 -0.020749 -0.000393
C 4.41946 8.70723 28.78129 0.000825 -0.001494 -0.001353
C 6.78392 9.43047 23.09004 0.027183 -0.066896 -0.000133
C 3.56042 9.49109 26.6564 -0.004608 0.006056 -6.7e-05
C 4.61751 8.01851 24.2848 -0.031131 0.007016 -1e-06
C 5.05154 11.17517 25.6455 0.008683 0.017971 5.4e-05
C 8.364 10.97445 24.1808 0.003703 0.032819 -0.001439
C 5.96066 11.24732 24.51792 -0.014684 0.030891 0.000125
C 8.14107 7.54198 23.34162 -0.020768 0.015963 -0.00028
C 4.23692 10.10559 25.50437 -0.006489 -0.018573 0.000604
C 5.70746 10.12153 23.66488 -0.023099 0.011473 0.000206
C 0.51709 11.17522 27.63365 -0.001609 0.000444 0.000399
C 1.33178 10.10562 27.77409 -0.006106 -0.005257 -0.001675
C 5.70745 7.29318 23.66445 -0.028368 -0.02025 0.000241
C 8.42637 11.24721 28.76193 0.009466 -0.003913 -0.00111
C 2.00826 9.49114 26.62177 0.001418 0.00163 0.000113
C 6.7839 7.98432 23.08954 0.022694 0.075727 -0.000252
C 4.61755 9.3961 24.28494 -0.037223 -0.007441 0.000522
C 5.32119 11.83425 26.95233 -0.008375 0.004422 0.000216
C 6.77335 12.04343 27.1628 0.00708 -0.004848 0.005396
C 0.60674 10.96649 25.14624 0.005104 0.012314 0.000794
C 8.36396 6.44035 24.18058 0.004737 -0.032069 -0.001973
C 0.24728 11.83421 26.3268 0.00782 0.005309 -0.001407
C 7.25046 11.66306 24.76936 0.000553 0.017028 0.001643
C 7.61356 12.04335 26.11625 -0.006982 -0.00573 -0.005963
C 7.25045 5.75168 24.7692 -0.001061 -0.018305 -0.001509
C 5.41303 8.70721 29.77544 -0.000609 -0.000731 0.00085
C 1.38865 9.86579 25.30325 0.014702 -0.005291 -0.002693
168
energy=-1515.04677766 config_type=nep2xyz pbc="T T T" virial="-38.20090796566617 0.1378811794562273 0.0020604384853172117 0.1378811794562273 -43.46553854447668 0.014128721042175166 0.0020604384853172117 0.014128721042175166 -4.990550210498313" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97866 -0.004414 -0.004867 -0.001351
C 1.47141 0.89094 19.97197 0.014063 0.009997 -0.005333
C 2.93782 0.89094 19.96152 -0.014267 -0.012907 -0.009782
C 3.67602 2.16424 19.96462 0.003702 0.020516 -0.008535
C 0.73321 4.71084 19.98595 0.012305 -0.016067 0.003967
C 1.47141 3.43754 19.97915 0.001733 0.010008 -0.001158
C 2.93782 3.43754 19.97367 0.006253 -0.008188 -0.003826
C 3.67602 4.71084 19.9848 -0.008774 -0.010292 0.002742
C 0.73321 7.25743 19.97881 -0.003196 -0.012348 -0.001307
C 1.47141 5.98413 19.98585 -0.012586 0.017394 0.003756
C 2.93782 5.98413 19.98779 0.003461 -0.004657 0.005288
C 3.67602 7.25743 19.98647 0.012999 0.006084 0.004514
C 0.73321 9.80403 19.97665 -0.0072 -0.008544 -0.002596
C 1.47141 8.53073 19.98033 0.011831 0.005886 -0.000565
C 2.93782 8.53073 19.98557 -0.018194 -0.002125 0.003595
C 3.67602 9.80403 19.98593 0.006763 0.006817 0.003799
C 0.73321 12.35062 19.98759 0.004645 -0.003974 0.005456
C 1.47141 11.07732 19.98563 -0.006947 -0.001501 0.004132
C 2.93782 11.07732 19.98837 0.001175 -0.014257 0.006234
C 3.67602 12.35062 19.98762 0.001532 0.009999 0.005588
C 0.73321 14.89722 19.98252 0.005391 -0.006693 0.001712
C 1.47141 13.62392 19.98571 -0.004324 0.012673 0.003762
C 2.93782 13.62392 19.9823 0.005961 0.00997 0.00154
C 3.67602 14.89722 19.97068 0.000674 0.003691 -0.005008
C 5.14244 2.16424 19.9763 -0.008334 -0.003589 -0.00246
C 5.88064 0.89094 19.98252 -0.007716 0.00927 0.000499
C 7.34705 0.89094 19.98768 -0.000917 -0.003493 0.005284
C 8.08525 2.16424 19.9865 0.013631 0.005332 0.004896
C 5.14244 4.71084 19.98751 0.009077 0.00329 0.004768
C 5.88064 3.43754 19.98595 -0.008065 -0.007402 0.004184
C 7.34705 3.43754 19.98875 -0.003041 -0.011289 0.00715
C 8.08525 4.71084 19.98798 -0.004066 0.012519 0.00598
C 5.14244 7.25743 19.98112 0.002784 0.007345 0.000584
C 5.88064 5.98413 19.98576 -0.008604 0.004529 0.003204
C 7.34705 5.98413 19.98294 0.004044 0.004948 0.001675
C 8.08525 7.25743 19.97145 0.006397 0.002981 -0.004942
C 5.14244 9.80403 19.97872 0.004907 -0.017126 -0.001726
C 5.88064 8.53073 19.97008 -0.014027 0.004362 -0.005687
C 7.34705 8.53073 19.96242 0.002926 -0.00583 -0.0095
C 8.08525 9.80403 19.96652 0.004259 0.005938 -0.007869
C 5.14244 12.35062 19.98597 0.010095 -0.015927 0.004403
C 5.88064 11.07732 19.97996 0.003593 0.010004 -0.000573
C 7.34705 11.07732 19.97556 -0.002561 -0.011826 -0.002687
C 8.08525 12.35062 19.98552 -0.006763 -0.005424 0.00434
C 5.14244 14.89722 19.9792 -0.007792 -0.018733 -0.00057
C 5.88064 13.62392 19.98613 -0.014766 0.020601 0.004866
C 7.34705 13.62392 19.98854 -0.00028 -0.005902 0.007189
C 8.08525 14.89722 19.98801 0.008161 0.008718 0.00636
C 5.25329 3.56425 28.13269 -0.004188 0.004371 0.000272
C 6.03507 2.46351 27.97496 0.009525 -0.005487 -0.001027
C 2.07399 2.47058 23.34065 0.007746 -0.010277 -0.000601
C 5.79564 1.30501 28.78123 -0.001932 0.000449 0.002429
C 3.43118 2.02824 23.08734 -0.017382 -0.046213 -0.000514
C 6.65468 2.08887 26.65629 0.00336 0.006504 -0.000312
C 5.59759 0.61629 24.28481 0.029052 0.005336 0.000118
C 5.16356 3.77295 25.6452 -0.010144 0.016655 -0.000731
C 1.8511 3.57223 24.18044 0.008891 0.019865 -0.001982
C 4.25444 3.8451 24.51733 0.017617 0.006922 -0.000286
C 2.07403 0.13976 23.34194 0.014442 0.004728 -0.000467
C 5.97819 2.70336 25.50412 0.001931 -0.018916 0.000657
C 4.50764 2.7193 23.66413 0.035844 0.023583 -4e-06
C 0.87955 3.77299 27.63366 0.003634 0.001567 -0.0008
C 0.06487 2.70339 27.77418 0.005696 -0.005746 -0.001524
C 4.50765 15.17053 23.6646 0.025929 -0.007288 9e-05
C 1.78873 3.84498 28.7619 -0.008053 -0.002644 -0.000804
C 8.20684 2.08892 26.62187 -0.002565 0.002565 0.000221
C 3.4312 0.5821 23.08841 -0.019662 0.032885 -0.000437
C 5.59755 1.99387 24.28459 0.027075 -0.00163 -0.000133
C 4.89392 4.43202 26.95208 0.006687 0.005208 0.000613
C 3.44176 4.64121 27.16266 -0.010766 -0.003509 -3e-06
C 0.7899 3.56427 25.14603 -0.0012 0.012038 0.000409
C 1.85115 14.3177 24.18093 0.00404 -0.01724 -0.001267
C 1.14936 4.43198 26.32667 -0.006735 0.003902 -0.002024
C 2.96464 4.26083 24.76898 -0.014014 0.021313 0.000245
C 2.60154 4.64112 26.11597 0.011057 -0.008297 -0.001417
C 2.96465 13.62902 24.76936 -0.000498 -0.021749 0.000171
C 4.80208 1.30499 29.77546 0.002005 -0.000563 -0.000805
C 0.008 2.46357 25.30334 -0.012984 -0.00324 -0.002359
C 0.84431 6.68567 25.14599 -0.003486 -0.016846 -0.005146
C 1.62626 7.7863 25.30304 0.019371 0.013008 0.00479
C 6.48358 7.77936 29.93924 0.005451 -0.004661 0.000177
C 1.38681 8.94487 24.49674 0.022371 -0.003313 -0.007977
C 7.84078 8.22172 30.19889 0.017619 -0.004771 -0.000824
C 2.24583 8.16091 26.6218 0.001742 -0.002635 -0.005062
C 1.18868 9.63357 28.99415 -0.001276 -0.001801 -0.001348
C 0.75464 6.47689 27.63358 -0.003779 -0.002691 -0.004214
C 6.26063 6.6777 29.09837 0.009569 -0.002508 -0.001791
C 8.66394 6.4048 28.7618 0.009093 0.003924 0.000186
C 6.48355 10.11018 29.9394 0.004507 0.004261 0.000433
C 1.56936 7.54642 27.77402 -0.00519 0.00721 0.001927
C 0.09874 7.53066 29.61582 0.00474 0.003632 -0.001075
C 5.28899 6.47683 25.64492 0.013058 -0.017591 0.003439
C 4.47443 7.54647 25.50392 -0.005993 0.021242 -0.003188
C 0.09872 10.3589 29.61599 0.00759 -0.004737 -0.000867
C 6.1982 6.40487 24.5174 -0.008933 -0.022532 -0.001038
C 3.79797 8.1609 26.65606 -0.003418 -0.004432 0.004347
C 7.84074 9.66783 30.19896 0.017886 0.001399 -0.000646
C 1.18872 8.25599 28.99404 -0.001225 0.002911 -0.001732
C 0.48483 5.81793 26.32654 0.007465 -0.00463 0.002704
C 7.85112 5.60879 26.11587 -0.01051 0.00799 0.001087
C 5.1994 6.6856 28.13253 0.005661 -0.004551 0.002963
C 6.26061 11.21187 29.09862 0.008419 0.002233 -0.00123
C 5.55874 5.81782 26.95203 -0.005446 -0.003598 -0.003386
C 7.37414 5.98902 28.5095 -0.00198 0.005376 0.000197
C 7.01092 5.60869 27.1626 0.008411 0.001446 -0.001609
C 7.37411 11.90053 28.50986 -0.001054 -0.001788 -0.00081
C 0.39318 8.94493 23.5033 0.005474 2.7e-05 0.001806
C 4.41755 7.78628 27.97486 -0.008907 0.005875 -0.004066
C 0.78989 14.32545 25.14636 -0.002901 -0.016946 0.00033
C 0.00794 0.14652 25.30335 -0.012254 0.006909 -0.001443
C 3.96909 0.13957 29.93944 -0.004697 -0.004186 0.000219
C 0.2474 1.30508 24.49649 -0.021499 -0.000604 0.000583
C 2.61189 0.58194 30.19899 -0.015476 -0.003226 -0.000661
C 8.20684 0.52113 26.62192 -0.001717 -0.001502 -0.002071
C 0.44552 1.99378 28.99413 0.001438 -0.000761 -0.000853
C 0.87956 14.11667 27.63381 0.003358 -0.001661 -0.002038
C 4.19203 14.31749 29.09857 -0.010265 -0.002296 -0.000328
C 1.78872 14.04459 28.76206 -0.008073 0.00406 0.000266
C 3.96911 2.47039 29.93933 -0.005135 0.006777 -7.6e-05
C 0.06484 15.18621 27.77423 0.005673 0.007329 0.000758
C 1.53546 15.17044 29.61604 -0.007804 0.005177 -0.000911
C 5.16367 14.11661 25.64537 -0.008482 -0.014928 -0.001566
C 5.97823 15.18625 25.50426 0.003812 0.018328 0.000692
C 1.53549 2.71912 29.61591 -0.004592 -0.004368 -0.001133
C 4.25446 14.04466 24.51764 0.011837 -0.020894 0.000872
C 6.65469 0.52112 26.65635 0.004298 -0.00356 0.000879
C 2.61192 2.02805 30.19893 -0.017941 0.003723 -0.00083
C 0.44548 0.6162 28.99422 0.001491 0.002736 -0.001403
C 1.14937 13.45771 26.3269 -0.008916 -0.005989 -0.000733
C 2.60154 13.24857 26.1162 0.007882 0.006546 -0.001952
C 5.25326 14.32538 28.13279 -0.003231 -0.005401 0.000607
C 4.19205 3.57209 29.09846 -0.010447 0.001677 -0.000722
C 4.89393 13.45761 26.95223 0.005922 -0.005059 0.001266
C 3.07853 13.6288 28.5098 0.00108 0.004718 -0.001174
C 3.44174 13.24847 27.1628 -0.008001 0.002889 0.001923
C 3.07855 4.26075 28.5096 0.000325 -0.003798 -0.000613
C 1.24102 1.30515 23.50353 0.00261 -0.002942 -0.001629
C 6.03511 0.1465 27.97504 0.009523 0.005638 -0.001341
C 5.19937 11.20404 28.13281 0.004289 0.003516 0.002709
C 4.41759 10.10329 27.97495 -0.009251 -0.004532 -0.002869
C 8.37867 10.11036 23.34294 -0.033141 -0.024053 -0.001422
C 4.65702 8.94479 28.78105 0.002988 -0.001576 0.004576
C 7.02148 9.66803 23.08978 0.029785 -0.054815 -0.000202
C 3.79798 9.72865 26.65622 -0.004268 0.006632 0.001855
C 4.85507 8.25608 24.28435 -0.029476 0.002436 0.001094
C 5.2891 11.41273 25.64546 0.008355 0.018614 0.00134
C 8.60156 11.21201 24.18104 0.005965 0.03028 0.002429
C 6.19822 11.48488 24.51799 -0.011117 0.031498 0.000532
C 8.37863 7.77954 23.3416 -0.012589 0.018162 -0.00157
C 4.47448 10.34315 25.5042 -0.006354 -0.020046 -0.000591
C 5.94502 10.35909 23.66469 -0.0238 0.008428 0.000114
C 0.75465 11.41278 27.63385 -0.001697 0.001441 -0.004036
C 1.56934 10.34318 27.7742 -0.00527 -0.00527 0.001435
C 5.94501 7.53074 23.66389 -0.038229 -0.026783 4.4e-05
C 8.66393 11.48477 28.76202 0.007621 -0.004146 0.000686
C 2.24582 9.72871 26.62194 0.00201 0.001242 -0.003568
C 7.02146 8.22188 23.08864 0.022938 0.074379 -0.000396
C 4.85511 9.63366 24.28463 -0.038672 -0.004483 0.000494
C 5.55875 12.07181 26.95237 -0.007392 0.004435 -0.002104
C 7.01091 12.28099 27.16293 0.006619 -0.00476 0.002456
C 0.8443 11.20405 25.14661 0.007334 0.012729 -0.004629
C 8.60152 6.67791 24.18053 0.005721 -0.029625 0.001911
C 0.48484 12.07177 26.32694 0.00865 0.006583 0.003271
C 7.48802 11.90062 24.76958 -0.006108 0.016936 -0.001489
C 7.85112 12.28091 26.11635 -0.006279 -0.004367 -0.001695
C 7.48801 5.98924 24.76917 -0.004161 -0.02116 -0.001994
C 5.65059 8.94477 29.77534 -0.002751 -0.000869 -0.00139
C 1.62621 10.10335 25.30337 0.01329 -0.001663 0.004327
168
energy=-1515.04717149 config_type=nep2xyz pbc="T T T" virial="-38.1894283798194 0.18619635944866558 0.005424419685835108 0.18619635944866558 -43.472897253352805 0.013329775507052166 0.005424419685835108 0.013329775507052166 -4.998749914674575" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97872 -0.009921 -0.00535 -0.001418
C 1.47141 0.89094 19.97371 0.012262 0.011729 -0.00456
C 2.93782 0.89094 19.96322 -0.008869 -0.01459 -0.009249
C 3.67602 2.16424 19.96304 0.002348 0.017135 -0.00938
C 0.73321 4.71084 19.98543 0.014013 -0.018821 0.003433
C 1.47141 3.43754 19.97797 0.00188 0.013551 -0.00189
C 2.93782 3.43754 19.97152 0.001389 -0.004993 -0.004979
C 3.67602 4.71084 19.98374 -0.008634 -0.008329 0.002074
C 0.73321 7.25743 19.97886 -0.002537 -0.015514 -0.001236
C 1.47141 5.98413 19.98569 -0.013187 0.019517 0.003572
C 2.93782 5.98413 19.98786 0.002712 -0.009659 0.005429
C 3.67602 7.25743 19.98781 0.009071 0.009748 0.005998
C 0.73321 9.80403 19.97467 -0.012794 -0.011145 -0.003972
C 1.47141 8.53073 19.9796 0.010518 0.006286 -0.00085
C 2.93782 8.53073 19.98621 -0.016896 -0.004221 0.004435
C 3.67602 9.80403 19.987 0.002721 0.008304 0.004618
C 0.73321 12.35062 19.98696 0.004551 -0.01116 0.004726
C 1.47141 11.07732 19.98444 -0.006052 0.004826 0.003176
C 2.93782 11.07732 19.98842 -0.003102 -0.016006 0.006487
C 3.67602 12.35062 19.98815 0.002159 0.009937 0.006627
C 0.73321 14.89722 19.98404 0.007303 -0.007045 0.002741
C 1.47141 13.62392 19.9869 -0.005112 0.013218 0.004576
C 2.93782 13.62392 19.98411 0.005603 0.007147 0.002958
C 3.67602 14.89722 19.97294 0.000143 0.011117 -0.003846
C 5.14244 2.16424 19.97398 0.001812 -0.00624 -0.003911
C 5.88064 0.89094 19.98152 -0.007916 0.015723 -0.000225
C 7.34705 0.89094 19.98725 -0.001968 -0.006461 0.004877
C 8.08525 2.16424 19.98609 0.016922 0.006341 0.004382
C 5.14244 4.71084 19.98716 0.010511 1.5e-05 0.004241
C 5.88064 3.43754 19.98442 -0.006111 -0.006583 0.00293
C 7.34705 3.43754 19.98802 -0.007214 -0.012384 0.006135
C 8.08525 4.71084 19.98794 -0.003271 0.011144 0.005739
C 5.14244 7.25743 19.98385 0.005819 0.004737 0.002655
C 5.88064 5.98413 19.98712 -0.011232 0.002308 0.004265
C 7.34705 5.98413 19.98411 0.007743 0.00805 0.002441
C 8.08525 7.25743 19.97232 0.000857 0.003033 -0.004356
C 5.14244 9.80403 19.98065 0.008004 -0.015093 -0.000697
C 5.88064 8.53073 19.9732 -0.004522 0.00688 -0.004077
C 7.34705 8.53073 19.96339 -0.000787 -0.013581 -0.009009
C 8.08525 9.80403 19.96381 0.008301 0.013072 -0.009025
C 5.14244 12.35062 19.9858 0.013168 -0.020202 0.004634
C 5.88064 11.07732 19.97915 0.0046 0.016381 -0.000772
C 7.34705 11.07732 19.9728 -0.000599 -0.014209 -0.003997
C 8.08525 12.35062 19.98398 -0.006078 -0.005185 0.002915
C 5.14244 14.89722 19.97984 -0.005148 -0.020717 -0.000324
C 5.88064 13.62392 19.98606 -0.013831 0.021765 0.004809
C 7.34705 13.62392 19.9882 -0.001429 -0.009093 0.006464
C 8.08525 14.89722 19.98839 0.003523 0.013119 0.00645
C 5.49085 3.80181 28.13255 -0.005351 0.003429 0.002834
C 6.27263 2.70107 27.97486 0.009587 -0.004949 -0.003968
C 2.31155 2.70814 23.34125 0.008025 -0.017253 -0.001099
C 6.0332 1.54257 28.78107 -0.002935 0.000787 0.004296
C 3.66874 2.2658 23.08774 -0.021459 -0.061752 -0.000488
C 6.89224 2.32643 26.65606 0.003045 0.006734 0.004578
C 5.83515 0.85385 24.28461 0.034228 0.003288 1.6e-05
C 5.40112 4.01051 25.64494 -0.011985 0.019606 0.005084
C 2.08866 3.80979 24.18052 0.000976 0.023707 -0.000193
C 4.492 4.08266 24.51736 0.011206 0.013024 -0.002447
C 2.31159 0.37732 23.34286 0.023392 0.015654 -0.001061
C 6.21575 2.94092 25.50392 0.003876 -0.022073 -0.004171
C 4.7452 2.95687 23.66374 0.041701 0.028689 0.000125
C 1.11711 4.01055 27.63362 0.00308 0.001377 -0.002259
C 0.30243 2.94095 27.7741 0.004712 -0.005471 0.000223
C 4.74521 0.12852 23.66453 0.027093 -0.00737 9e-06
C 2.02629 4.08254 28.76184 -0.008515 -0.002392 -0.000576
C 8.4444 2.32648 26.62187 -0.002747 0.002943 -0.002946
C 3.66876 0.81966 23.08917 -0.027266 0.039561 -0.000291
C 5.83511 2.23143 24.28426 0.029221 -0.001519 0.001168
C 5.13148 4.66958 26.95205 0.006805 0.004079 -0.004591
C 3.67932 4.87877 27.16262 -0.007718 -0.003254 0.00139
C 1.02746 3.80183 25.14606 -0.000312 0.013166 -0.00247
C 2.08871 14.55526 24.1811 -0.0031 -0.023652 0.001118
C 1.38692 4.66954 26.32663 -0.006181 0.004356 0.000536
C 3.2022 4.49839 24.76908 -0.003444 0.022297 0.000215
C 2.8391 4.87868 26.11597 0.010258 -0.008363 -0.00259
C 3.20222 13.86658 24.76953 0.007013 -0.021063 -0.000636
C 5.03964 1.54255 29.77534 0.002629 4.5e-05 -0.001396
C 0.24556 2.70113 25.30328 -0.015429 -0.005633 0.00181
C 1.08187 6.92323 25.14595 -0.002651 -0.016315 -0.003159
C 1.86383 8.02386 25.30314 0.017526 0.011522 0.002432
C 6.72114 8.01692 29.93926 0.004307 -0.004892 -6e-06
C 1.62437 9.18243 24.49673 0.023678 -0.001895 -0.005347
C 8.07834 8.45928 30.1989 0.016485 -0.004976 -0.000819
C 2.48339 8.39847 26.62184 0.001796 -0.002673 -0.003461
C 1.42624 9.87113 28.99426 -0.001008 -0.000997 -0.001358
C 0.9922 6.71445 27.63359 -0.00405 -0.002073 -0.002791
C 6.49819 6.91526 29.09835 0.009934 -0.002336 -0.001404
C 0.08304 6.64236 28.76184 0.008409 0.003771 -0.00035
C 6.72111 10.34774 29.93945 0.004502 0.005073 0.000354
C 1.80692 7.78398 27.77408 -0.004813 0.007417 0.000848
C 0.3363 7.76822 29.61586 0.004439 0.004331 -0.001059
C 5.52655 6.71439 25.64489 0.013077 -0.015964 0.001058
C 4.71199 7.78403 25.50384 -0.003978 0.02073 -0.001771
C 0.33628 10.59647 29.61609 0.007392 -0.00477 -0.000861
C 6.43576 6.64243 24.51722 -0.01117 -0.01299 -0.000585
C 4.03553 8.39846 26.65607 -0.002662 -0.004394 0.002804
C 8.0783 9.90539 30.19902 0.016238 0.001493 -0.000634
C 1.42628 8.49355 28.99408 -0.001247 0.002813 -0.001431
C 0.72239 6.05549 26.32656 0.007356 -0.004328 0.00045
C 8.08868 5.84635 26.11582 -0.011865 0.008427 0.002596
C 5.43696 6.92316 28.1325 0.004914 -0.004982 0.001552
C 6.49817 11.44943 29.09865 0.008872 0.001798 -0.000699
C 5.7963 6.05538 26.95193 -0.005983 -0.004763 -0.000482
C 7.6117 6.22658 28.50949 -0.000777 0.005982 0.000585
C 7.24848 5.84625 27.16259 0.009933 0.001747 -0.004024
C 7.61167 12.13809 28.50994 -0.000339 -0.001659 -0.001778
C 0.63074 9.18249 23.50345 -0.000715 0.001793 0.000729
C 4.65511 8.02384 27.97485 -0.009068 0.00622 -0.002992
C 1.02745 14.56301 25.1466 -0.007187 -0.016193 -0.002704
C 0.2455 0.38408 25.30342 -0.011749 0.004093 0.002309
C 4.20665 0.37713 29.93941 -0.004031 -0.002931 0.000407
C 0.48496 1.54264 24.4968 -0.024543 0.000731 -0.004553
C 2.84945 0.8195 30.19898 -0.016592 -0.002804 -0.000582
C 8.4444 0.75869 26.62196 -0.001616 -0.001188 -0.003165
C 0.68308 2.23134 28.99404 0.001296 -0.001299 -0.00124
C 1.11712 14.35424 27.63386 0.002816 -0.002684 -0.003986
C 4.42959 14.55505 29.09858 -0.008871 -0.002609 -0.000721
C 2.02628 14.28215 28.76203 -0.007819 0.004349 0.001116
C 4.20667 2.70795 29.93924 -0.005194 0.006286 8.7e-05
C 0.3024 0.1442 27.77422 0.005287 0.0066 0.001704
C 1.77302 0.12843 29.61602 -0.007803 0.004812 -0.00087
C 5.40123 14.35417 25.64536 -0.009665 -0.01616 -0.000418
C 6.21579 0.14424 25.50412 0.004777 0.020383 0.000789
C 1.77305 2.95668 29.61583 -0.004236 -0.004158 -0.001054
C 4.49202 14.28222 24.51783 0.009235 -0.02762 0.001066
C 6.89225 0.75868 26.65624 0.003546 -0.003935 0.000442
C 2.84948 2.26561 30.19887 -0.019478 0.00329 -0.000828
C 0.68304 0.85376 28.9942 0.001278 0.003059 -0.001377
C 1.38693 13.69527 26.32696 -0.008406 -0.006514 0.002308
C 2.8391 13.48613 26.11628 0.006239 0.005186 -0.003676
C 5.49082 14.56295 28.13277 -0.004406 -0.005104 0.00189
C 4.42961 3.80965 29.0984 -0.00947 0.002216 -0.001919
C 5.13149 13.69517 26.95227 0.006326 -0.00402 -0.000804
C 3.31609 13.86636 28.50984 0.001597 0.003782 -0.001896
C 3.67931 13.48603 27.16282 -0.005227 0.003102 0.004706
C 3.31611 4.49831 28.50953 0.000728 -0.003564 -0.000356
C 1.47858 1.54271 23.5037 0.003285 -0.002719 0.000444
C 6.27267 0.38406 27.97496 0.008196 0.005461 -0.002377
C 5.43693 11.4416 28.13285 0.003452 0.003497 0.001775
C 4.65515 10.34085 27.97497 -0.009304 -0.004793 -0.002314
C 8.61623 10.34792 23.34278 -0.025475 -0.016688 -0.001157
C 4.89458 9.18235 28.78111 0.002992 -0.002225 0.003763
C 7.25904 9.90559 23.08898 0.0262 -0.041763 -0.000283
C 4.03554 9.96621 26.65625 -0.003603 0.006404 0.001044
C 5.09264 8.49364 24.28422 -0.026918 -0.000938 0.000577
C 5.52666 11.65029 25.64548 0.008066 0.016713 -0.000515
C 0.02066 11.44957 24.18107 0.002206 0.020998 0.001537
C 6.43579 11.72244 24.51791 -0.009195 0.027149 0.001154
C 8.61619 8.0171 23.34115 -0.007544 0.016066 -0.001264
C 4.71204 10.58071 25.50417 -0.004195 -0.018562 0.000393
C 6.18258 10.59665 23.66457 -0.025429 0.005712 -5.4e-05
C 0.99221 11.65034 27.63395 -0.002174 0.002276 -0.003977
C 1.8069 10.58074 27.77429 -0.00562 -0.005234 0.001568
C 6.18257 7.7683 23.66372 -0.040651 -0.0279 -3.2e-05
C 0.08303 11.72233 28.76212 0.007852 -0.004078 0.001058
C 2.48338 9.96627 26.62201 0.001761 0.000858 -0.003168
C 7.25902 8.45944 23.08757 0.019928 0.061876 -0.000507
C 5.09267 9.87122 24.28456 -0.034942 -0.00229 0.000196
C 5.79631 12.30937 26.95236 -0.007178 0.003995 -0.000693
C 7.24847 12.51855 27.16296 0.007381 -0.004749 0.004327
C 1.08187 11.44161 25.14664 0.006189 0.015428 -0.003222
C 0.02062 6.91547 24.18046 -0.000117 -0.024579 0.000498
C 0.7224 12.30933 26.32702 0.009162 0.006159 0.002463
C 7.72558 12.13818 24.76959 -0.005544 0.018695 -0.000906
C 8.08868 12.51847 26.11641 -0.006505 -0.005228 -0.003317
C 7.72557 6.2268 24.76904 0.002223 -0.022231 -0.001856
C 5.88815 9.18233 29.77539 -0.002604 -0.001745 -0.001204
C 1.86377 10.34091 25.30347 0.011615 -0.002272 0.002754
168
energy=-1515.04707766 config_type=nep2xyz pbc="T T T" virial="-38.209696366552514 0.13876422452136325 -0.009713495716495426 0.13876422452136325 -43.472771104057784 0.015894811172447062 -0.009713495716495426 0.015894811172447062 -5.010692047936414" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.9794 -0.012436 -0.004388 -0.001008
C 1.47141 0.89094 19.97563 0.007094 0.008582 -0.002885
C 2.93782 0.89094 19.96555 -0.005197 -0.007871 -0.007445
C 3.67602 2.16424 19.96175 -0.000934 0.009146 -0.00898
C 0.73321 4.71084 19.98565 0.013515 -0.016682 0.003315
C 1.47141 3.43754 19.97777 0.002228 0.010608 -0.001709
C 2.93782 3.43754 19.97033 -0.004753 -0.003955 -0.005096
C 3.67602 4.71084 19.9826 -0.0051 -0.005276 0.001308
C 0.73321 7.25743 19.97992 -0.00209 -0.01197 -0.000345
C 1.47141 5.98413 19.98628 -0.011775 0.016872 0.003788
C 2.93782 5.98413 19.98809 0.003074 -0.010906 0.005346
C 3.67602 7.25743 19.98889 0.004491 0.00907 0.006712
C 0.73321 9.80403 19.97277 -0.015985 -0.008858 -0.004302
C 1.47141 8.53073 19.97946 0.005623 0.004918 -0.000506
C 2.93782 8.53073 19.98687 -0.014109 -0.003182 0.004879
C 3.67602 9.80403 19.98778 0.001129 0.005844 0.004998
C 0.73321 12.35062 19.98589 0.003833 -0.011122 0.003645
C 1.47141 11.07732 19.98301 -0.004494 0.005582 0.002048
C 2.93782 11.07732 19.98833 -0.007952 -0.011721 0.006102
C 3.67602 12.35062 19.98876 0.000915 0.007081 0.006684
C 0.73321 14.89722 19.98537 0.008423 -0.000675 0.003498
C 1.47141 13.62392 19.98769 -0.005174 0.006643 0.005067
C 2.93782 13.62392 19.98576 0.005811 0.007126 0.004241
C 3.67602 14.89722 19.97562 0.001513 0.010145 -0.002257
C 5.14244 2.16424 19.97093 0.012046 -0.003979 -0.004727
C 5.88064 0.89094 19.97983 -0.005477 0.018531 -0.000867
C 7.34705 0.89094 19.98646 -0.005493 -0.005234 0.003862
C 8.08525 2.16424 19.98565 0.018772 0.004421 0.003387
C 5.14244 4.71084 19.98601 0.008226 -0.001331 0.003049
C 5.88064 3.43754 19.98197 -0.003639 -0.009614 0.000993
C 7.34705 3.43754 19.98696 -0.011163 -0.008702 0.004555
C 8.08525 4.71084 19.98806 -0.003923 0.006138 0.005205
C 5.14244 7.25743 19.98574 0.008334 0.006008 0.004006
C 5.88064 5.98413 19.98771 -0.010204 -0.001427 0.004606
C 7.34705 5.98413 19.98523 0.008001 0.010814 0.003015
C 8.08525 7.25743 19.97419 -0.004748 0.005414 -0.00294
C 5.14244 9.80403 19.98199 0.008345 -0.00882 0.000323
C 5.88064 8.53073 19.97567 0.005491 0.004094 -0.002241
C 7.34705 8.53073 19.96463 -0.002876 -0.017162 -0.007461
C 8.08525 9.80403 19.96162 0.014589 0.012648 -0.008804
C 5.14244 12.35062 19.98607 0.014421 -0.019484 0.004622
C 5.88064 11.07732 19.97858 0.006605 0.015491 -0.000572
C 7.34705 11.07732 19.97035 -0.000583 -0.007432 -0.004547
C 8.08525 12.35062 19.98223 -0.006181 -0.007833 0.001535
C 5.14244 14.89722 19.98074 -0.003667 -0.014663 8.9e-05
C 5.88064 13.62392 19.9864 -0.010995 0.017896 0.004411
C 7.34705 13.62392 19.98788 -0.001069 -0.009224 0.00538
C 8.08525 14.89722 19.9886 -0.001011 0.012049 0.005863
C 5.72841 4.03937 28.13262 -0.004435 0.004364 -0.001185
C 6.51019 2.93863 27.97478 0.008096 -0.005351 0.001827
C 2.54911 2.9457 23.3417 0.014153 -0.020017 -0.000804
C 6.27077 1.78013 28.78116 -0.000525 0.000172 -0.001347
C 3.9063 2.50336 23.08869 -0.024729 -0.075481 -0.000377
C 7.1298 2.56399 26.65615 0.002424 0.00763 -0.002297
C 6.07271 1.09141 24.28461 0.037972 0.004527 0.000321
C 5.63868 4.24807 25.64506 -0.012407 0.018356 -0.001988
C 2.32622 4.04735 24.1806 -0.003739 0.027537 -0.001206
C 4.72956 4.32022 24.51743 0.008824 0.023396 0.000692
C 2.54915 0.61488 23.34297 0.03073 0.022747 -0.000191
C 6.45331 3.17848 25.50385 0.007188 -0.021292 0.002293
C 4.98276 3.19443 23.66383 0.040712 0.0267 -0.00028
C 1.35467 4.24811 27.63356 0.001967 0.000768 -0.000905
C 0.53999 3.17851 27.77405 0.005117 -0.005418 -0.001453
C 4.98277 0.36608 23.66453 0.026049 -0.011448 0.00027
C 2.26385 4.3201 28.76183 -0.009219 -0.003005 -0.000854
C 8.68196 2.56404 26.62177 -0.001944 0.003379 0.000237
C 3.90632 1.05722 23.08984 -0.031933 0.052686 -0.000243
C 6.07267 2.46899 24.28437 0.031284 -0.005268 -0.000488
C 5.36904 4.90714 26.95202 0.007029 0.002896 0.0004
C 3.91688 5.11633 27.16259 -0.005758 -0.003308 0.007491
C 1.26502 4.03939 25.14601 -0.000644 0.014637 -5e-05
C 2.32627 14.79282 24.18107 -0.005543 -0.030432 -0.001465
C 1.62448 4.9071 26.32662 -0.007239 0.004197 -7.1e-05
C 3.43976 4.73595 24.76916 0.003596 0.02195 0.001364
C 3.07666 5.11624 26.11606 0.007546 -0.008438 -0.008562
C 3.43978 14.10414 24.76947 0.007072 -0.019033 -0.001843
C 5.2772 1.78011 29.77533 0.000807 -0.000376 0.000674
C 0.48312 2.93869 25.30324 -0.016353 -0.008412 -0.002354
C 1.31943 7.16079 25.14586 -0.001091 -0.014903 -0.000816
C 2.10139 8.26142 25.30317 0.014536 0.008916 -0.001013
C 6.9587 8.25448 29.93927 0.005652 -0.005694 -0.000359
C 1.86193 9.41999 24.4965 0.021661 -0.000172 -0.000944
C 8.3159 8.69684 30.19882 0.017267 -0.00532 -0.000841
C 2.72095 8.63603 26.62182 0.001259 -0.002287 -0.001392
C 1.6638 10.10869 28.9942 -0.000932 -0.00041 -0.000745
C 1.22976 6.95201 27.63352 -0.004502 -0.001693 -0.001044
C 6.73576 7.15282 29.09836 0.011837 -0.00299 -0.000381
C 0.3206 6.87992 28.76178 0.008931 0.003412 -0.000856
C 6.95867 10.5853 29.93946 0.005069 0.005952 -6.9e-05
C 2.04448 8.02154 27.77412 -0.005648 0.007098 -0.000795
C 0.57386 8.00578 29.61582 0.004459 0.003047 -0.001144
C 5.76412 6.95195 25.64498 0.01064 -0.014331 0.001305
C 4.94955 8.02159 25.50403 -0.001409 0.018938 -0.001138
C 0.57384 10.83403 29.61602 0.008163 -0.00526 -0.000723
C 6.67332 6.87999 24.51716 -0.015896 -0.006941 -0.000942
C 4.27309 8.63602 26.65625 -0.003905 -0.004216 0.000932
C 8.31586 10.14295 30.19893 0.017421 0.001721 -0.000683
C 1.66384 8.73111 28.9941 -0.001078 0.002088 -0.001074
C 0.95995 6.29305 26.32651 0.007186 -0.004419 -0.001083
C 8.32624 6.08391 26.11578 -0.011399 0.008334 -0.000206
C 5.67452 7.16072 28.13258 0.00537 -0.005965 0.000186
C 6.73573 11.68699 29.09865 0.010889 0.001816 -5e-05
C 6.03386 6.29294 26.95195 -0.007208 -0.00532 -0.001454
C 7.84926 6.46414 28.50947 -0.000525 0.005665 -0.000535
C 7.48604 6.08381 27.16248 0.009237 0.002345 -0.000776
C 7.84923 12.37565 28.50985 0.000529 -0.002919 -0.000727
C 0.8683 9.42005 23.50337 -0.003196 0.001693 -0.001011
C 4.89267 8.2614 27.97491 -0.008732 0.006227 -0.000341
C 1.26501 14.80058 25.14645 -0.009631 -0.014434 0.00134
C 0.48306 0.62164 25.30341 -0.011353 0.005057 -0.002831
C 4.44421 0.61469 29.9394 -0.004085 -0.004074 -0.000196
C 0.72252 1.7802 24.49665 -0.026806 0.001372 0.001228
C 3.08701 1.05706 30.19898 -0.017147 -0.002642 -0.000547
C 8.68196 0.99625 26.62186 -0.001311 -0.001898 0.00147
C 0.92064 2.4689 28.99399 0.00153 -0.001606 -0.000911
C 1.35468 14.5918 27.6337 0.003198 -0.000547 0.003074
C 4.66715 14.79261 29.09854 -0.009768 -0.00212 0.000507
C 2.26384 14.51971 28.76202 -0.009501 0.004602 -0.001904
C 4.44423 2.94551 29.93927 -0.004635 0.005964 -0.000274
C 0.53996 0.38176 27.77422 0.004806 0.005327 -0.003176
C 2.01058 0.36599 29.61595 -0.008163 0.00409 -0.000742
C 5.63879 14.59173 25.64532 -0.011873 -0.017318 -0.00073
C 6.45335 0.3818 25.5041 0.007021 0.021909 0.000494
C 2.01061 3.19424 29.61579 -0.004249 -0.00468 -0.000788
C 4.72958 14.51978 24.51786 0.010796 -0.030951 0.000355
C 7.12981 0.99624 26.65624 0.00407 -0.004164 -0.000184
C 3.08704 2.50317 30.19888 -0.019218 0.003793 -0.00087
C 0.9206 1.09132 28.9941 0.002221 0.003454 -0.000106
C 1.62449 13.93283 26.32693 -0.008327 -0.006226 -0.004775
C 3.07666 13.7237 26.1161 0.010088 0.004742 0.008668
C 5.72838 14.80051 28.13277 -0.003145 -0.005213 -0.000658
C 4.66717 4.04721 29.0984 -0.010069 0.001539 0.000191
C 5.36905 13.93273 26.9522 0.006426 -0.004131 0.002396
C 3.55365 14.10392 28.50975 0.000755 0.004721 0.002136
C 3.91687 13.72359 27.16292 -0.009351 0.003287 -0.008929
C 3.55367 4.73587 28.50958 0.002469 -0.003018 -0.00281
C 1.71614 1.78027 23.50353 0.000225 -0.001803 -0.00156
C 6.51023 0.62162 27.97489 0.007437 0.005483 0.001283
C 5.67449 11.67916 28.13291 0.003882 0.003641 0.000196
C 4.89271 10.57842 27.97506 -0.008938 -0.00501 0.000254
C 0.03533 10.58548 23.34192 -0.017065 -0.00588 -0.000718
C 5.13214 9.41991 28.78125 0.001459 -0.002385 -5.4e-05
C 7.4966 10.14315 23.08819 0.017918 -0.033041 -0.000391
C 4.2731 10.20377 26.6564 -0.004336 0.006391 -0.000603
C 5.3302 8.7312 24.28444 -0.025801 0.000576 0.000237
C 5.76422 11.88785 25.64549 0.006901 0.015674 0.000574
C 0.25822 11.68714 24.18088 -0.003446 0.014019 -0.00048
C 6.67335 11.96 24.51777 -0.010524 0.019909 -0.000146
C 0.03529 8.25466 23.34057 -0.006966 0.010507 -0.000888
C 4.9496 10.81827 25.50432 -0.002358 -0.017231 0.00032
C 6.42014 10.83421 23.6646 -0.024584 0.006134 -2.6e-05
C 1.22977 11.8879 27.63381 -0.002899 0.001195 -0.000896
C 2.04446 10.8183 27.77427 -0.006263 -0.005423 -0.0013
C 6.42014 8.00586 23.66397 -0.036238 -0.023997 -0.000149
C 0.32059 11.95989 28.76205 0.008186 -0.002818 -0.00059
C 2.72094 10.20383 26.62193 0.000388 0.00174 -0.000153
C 7.49658 8.697 23.08707 0.015465 0.045496 -0.000582
C 5.33023 10.10878 24.28475 -0.030316 -0.003449 3.8e-05
C 6.03387 12.54693 26.95235 -0.006262 0.003425 -0.000812
C 7.48603 12.75612 27.1629 0.007926 -0.003927 0.001342
C 1.31943 11.67917 25.14641 0.003631 0.016748 -0.000918
C 0.25818 7.15303 24.18033 -0.00694 -0.020742 -0.001067
C 0.95996 12.54689 26.32691 0.007953 0.00517 0.000329
C 7.96314 12.37574 24.76942 9e-05 0.020622 -7.9e-05
C 8.32625 12.75603 26.11629 -0.00842 -0.006587 -0.001749
C 7.96313 6.46436 24.76887 0.010714 -0.022067 -0.000662
C 6.12571 9.41989 29.77543 -0.000319 -0.001434 0.00012
C 2.10133 10.57847 25.30342 0.012619 -0.00446 -0.001025
168
energy=-1515.04656819 config_type=nep2xyz pbc="T T T" virial="-38.220208807804134 0.04024162511119534 -0.026659551014104332 0.04024162511119534 -43.44964373330423 0.014086671277168693 -0.026659551014104332 0.014086671277168693 -4.999380661149672" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98088 -0.011227 -0.001327 -0.000231
C 1.47141 0.89094 19.97812 0.004051 0.003934 -0.001384
C 2.93782 0.89094 19.96881 -0.005417 0.002775 -0.006074
C 3.67602 2.16424 19.96156 -0.006383 0.002008 -0.00916
C 0.73321 4.71084 19.98631 0.01068 -0.011633 0.003927
C 1.47141 3.43754 19.97875 0.002809 0.002519 -0.001126
C 2.93782 3.43754 19.97045 -0.00706 -0.006809 -0.00527
C 3.67602 4.71084 19.9812 0.000509 -0.002066 0.000452
C 0.73321 7.25743 19.98149 -0.001283 -0.005195 0.00068
C 1.47141 5.98413 19.98709 -0.009279 0.011949 0.004633
C 2.93782 5.98413 19.98793 0.005393 -0.009711 0.005566
C 3.67602 7.25743 19.9892 0.000294 0.004359 0.007081
C 0.73321 9.80403 19.97083 -0.012668 -0.00306 -0.005152
C 1.47141 8.53073 19.9795 -7.7e-05 0.004583 -0.000299
C 2.93782 8.53073 19.98703 -0.011463 -0.000159 0.005216
C 3.67602 9.80403 19.98787 0.000971 0.002003 0.005058
C 0.73321 12.35062 19.98396 0.001241 -0.004257 0.002289
C 1.47141 11.07732 19.98095 -0.003183 -0.00099 0.000703
C 2.93782 11.07732 19.98759 -0.010537 -0.005129 0.005666
C 3.67602 12.35062 19.98903 -0.000978 0.001669 0.006902
C 0.73321 14.89722 19.9864 0.008402 0.006189 0.004294
C 1.47141 13.62392 19.9878 -0.006287 -0.003013 0.005311
C 2.93782 13.62392 19.98704 0.006729 0.009485 0.00502
C 3.67602 14.89722 19.97853 0.002798 0.003168 -0.000917
C 5.14244 2.16424 19.96768 0.018003 0.000142 -0.006316
C 5.88064 0.89094 19.97765 -0.001031 0.015704 -0.001912
C 7.34705 0.89094 19.98522 -0.011611 -0.001244 0.002861
C 8.08525 2.16424 19.98517 0.017988 0.001657 0.002686
C 5.14244 4.71084 19.98375 0.003082 -0.001599 0.001474
C 5.88064 3.43754 19.97854 -0.001082 -0.013617 -0.001165
C 7.34705 3.43754 19.9854 -0.013794 -0.003383 0.003079
C 8.08525 4.71084 19.98803 -0.004785 -0.000396 0.005161
C 5.14244 7.25743 19.98659 0.010183 0.009073 0.00456
C 5.88064 5.98413 19.98737 -0.007185 -0.005507 0.00435
C 7.34705 5.98413 19.98608 0.005671 0.011466 0.003536
C 8.08525 7.25743 19.97681 -0.007483 0.008455 -0.001694
C 5.14244 9.80403 19.98285 0.006379 -0.00169 0.000849
C 5.88064 8.53073 19.97767 0.012538 -0.00154 -0.001276
C 7.34705 8.53073 19.96643 -0.004378 -0.014793 -0.006705
C 8.08525 9.80403 19.96046 0.017386 0.005979 -0.009162
C 5.14244 12.35062 19.98645 0.012991 -0.014561 0.004653
C 5.88064 11.07732 19.97849 0.010744 0.008415 -0.00072
C 7.34705 11.07732 19.9685 -0.002542 0.003894 -0.00552
C 8.08525 12.35062 19.97999 -0.006403 -0.010713 3.3e-05
C 5.14244 14.89722 19.98156 -0.001406 -0.004656 0.000269
C 5.88064 13.62392 19.9867 -0.007702 0.011893 0.004121
C 7.34705 13.62392 19.98711 0.001339 -0.008432 0.004373
C 8.08525 14.89722 19.98834 -0.00384 0.006446 0.005441
C 5.96597 4.27693 28.1328 -0.003715 0.004705 -0.001275
C 6.74776 3.17619 27.97497 0.008852 -0.006141 0.002051
C 2.78667 3.18326 23.34186 0.022115 -0.018536 -0.000372
C 6.50833 2.01769 28.78128 -0.000691 -0.000867 -0.001085
C 4.14386 2.74092 23.08966 -0.024638 -0.078101 -0.000264
C 7.36736 2.80155 26.65636 0.002965 0.007254 -0.002356
C 6.31027 1.32897 24.28483 0.036823 0.007984 0.00057
C 5.87624 4.48563 25.64533 -0.010809 0.01719 -0.002444
C 2.56378 4.28491 24.18066 -0.005703 0.031079 -0.0017
C 4.96712 4.55778 24.51769 0.012583 0.029432 0.00089
C 2.78671 0.85244 23.34231 0.031039 0.022144 -0.000237
C 6.69087 3.41604 25.50416 0.0072 -0.018864 0.002441
C 5.22032 3.43199 23.66436 0.030346 0.020066 0.000126
C 1.59223 4.48567 27.63354 0.002503 -0.000317 0.001995
C 0.77755 3.41607 27.77403 0.005949 -0.005119 -0.002811
C 5.22033 0.60364 23.66469 0.024483 -0.015121 0.000294
C 2.50141 4.55766 28.76186 -0.010003 -0.002945 -0.001785
C 0.10106 2.8016 26.62173 -0.001033 0.002127 0.001516
C 4.14388 1.29478 23.09011 -0.026941 0.066069 -0.00017
C 6.31023 2.70655 24.28475 0.033184 -0.008675 -0.000283
C 5.6066 5.1447 26.95218 0.006746 0.003701 0.003082
C 4.15444 5.35389 27.16281 -0.010291 -0.003307 -0.004503
C 1.50258 4.27695 25.14602 -0.000739 0.014355 0.001197
C 2.56383 15.03038 24.18081 -0.006165 -0.034988 -0.001675
C 1.86204 5.14466 26.32669 -0.008278 0.004791 -0.004089
C 3.67733 4.97351 24.76929 0.002477 0.018505 -0.00102
C 3.31422 5.3538 26.11602 0.011493 -0.006997 0.003729
C 3.67734 14.3417 24.76932 0.002179 -0.01791 -0.000419
C 5.51476 2.01767 29.77544 0.000414 -0.00054 0.000745
C 0.72068 3.17625 25.30317 -0.017711 -0.009066 -0.003178
C 1.557 7.39835 25.14593 -0.000923 -0.013172 -0.001973
C 2.33895 8.49898 25.30311 0.014561 0.006152 -6.1e-05
C 7.19626 8.49204 29.93937 0.006225 -0.006317 -2.6e-05
C 2.09949 9.65755 24.49622 0.015397 0.000132 -0.002011
C 8.55346 8.93441 30.19883 0.01858 -0.005591 -0.00085
C 2.95851 8.87359 26.62179 0.000741 -0.001514 -0.00226
C 1.90136 10.34625 28.99407 -0.00072 -0.000833 -0.000977
C 1.46732 7.18957 27.63353 -0.004162 -0.00166 -0.002819
C 6.97332 7.39038 29.09848 0.012709 -0.002994 -0.000601
C 0.55816 7.11749 28.76178 0.008763 0.003909 -0.000269
C 7.19623 10.82286 29.93946 0.007202 0.005942 -6.4e-05
C 2.28204 8.25911 27.77405 -0.007045 0.006644 -9e-06
C 0.81142 8.24334 29.61581 0.005383 0.003974 -0.000944
C 6.00168 7.18951 25.64525 0.008138 -0.014359 0.003095
C 5.18711 8.25915 25.50442 -0.000673 0.01721 -0.001954
C 0.8114 11.07159 29.61586 0.006137 -0.006002 -0.000911
C 6.91088 7.11755 24.51735 -0.019452 -0.007461 -0.001292
C 4.51065 8.87358 26.65645 -0.004933 -0.003718 0.001913
C 8.55342 10.38052 30.19885 0.020089 0.002572 -0.000774
C 1.9014 8.96867 28.99405 -0.001821 0.002007 -0.001268
C 1.19751 6.53061 26.32649 0.007557 -0.004276 0.002308
C 8.5638 6.32147 26.11589 -0.007674 0.008202 -0.009422
C 5.91208 7.39828 28.13275 0.00584 -0.006344 0.001049
C 6.97329 11.92455 29.09863 0.012181 0.003061 -0.000233
C 6.27142 6.5305 26.95217 -0.007398 -0.00491 -0.003982
C 8.08682 6.7017 28.50957 -0.001003 0.005732 -0.002537
C 7.7236 6.32137 27.16243 0.008774 0.003839 0.00851
C 8.08679 12.61321 28.50971 -0.000201 -0.00394 -0.001122
C 1.10586 9.65761 23.50314 0.002688 0.000996 -0.000691
C 5.13023 8.49897 27.97512 -0.010015 0.005931 -0.000873
C 1.50257 15.03814 25.14618 -0.004602 -0.014532 0.001309
C 0.72062 0.8592 25.3032 -0.015552 0.008219 -0.002853
C 4.68177 0.85225 29.9394 -0.006023 -0.003486 -7.9e-05
C 0.96008 2.01776 24.49641 -0.023349 0.000843 0.001724
C 3.32457 1.29462 30.1989 -0.01783 -0.003248 -0.000621
C 0.10106 1.23381 26.62173 -0.00016 -0.001641 0.000639
C 1.1582 2.70646 28.99394 0.001609 -0.001827 -0.000522
C 1.59224 14.82936 27.63357 0.003276 -0.001019 0.002291
C 4.90471 15.03017 29.09854 -0.01099 -0.002087 0.000293
C 2.5014 14.75727 28.76191 -0.010952 0.004908 -0.001838
C 4.68179 3.18307 29.93937 -0.005802 0.006031 -0.000231
C 0.77752 0.61932 27.77406 0.004873 0.005729 -0.002515
C 2.24814 0.60355 29.61585 -0.007444 0.004205 -0.000838
C 5.87635 14.82929 25.64533 -0.011126 -0.016758 0.000265
C 6.69091 0.61936 25.50424 0.007321 0.021134 -2e-05
C 2.24817 3.4318 29.61578 -0.00621 -0.005554 -0.000808
C 4.96714 14.75734 24.51781 0.014985 -0.031164 -4.4e-05
C 7.36737 1.2338 26.65636 0.003786 -0.004382 0.000479
C 3.3246 2.74073 30.19885 -0.018919 0.002872 -0.000714
C 1.15816 1.32888 28.994 0.0025 0.004026 -0.000509
C 1.86205 14.17039 26.32675 -0.008592 -0.005503 -0.003964
C 3.31422 13.96126 26.11604 0.010721 0.005763 0.003169
C 5.96594 15.03807 28.13282 -0.003399 -0.00561 -0.000299
C 4.90473 4.28477 29.09851 -0.011453 0.001475 0.000462
C 5.60661 14.17029 26.95223 0.007385 -0.003579 0.001042
C 3.79121 14.34148 28.50969 0.001492 0.005124 0.000832
C 4.15443 13.96115 27.16279 -0.00936 0.003236 -0.003628
C 3.79123 4.97343 28.50963 0.001191 -0.004046 0.000617
C 1.9537 2.01783 23.50307 -0.008174 9.3e-05 -0.001758
C 6.74779 0.85918 27.97501 0.008389 0.00631 0.000956
C 5.91205 11.91672 28.13292 0.004362 0.004288 0.000371
C 5.13027 10.81598 27.97516 -0.009891 -0.005795 2.2e-05
C 0.27289 10.82304 23.34089 -0.010316 -0.00128 -0.000943
C 5.3697 9.65748 28.78138 0.001573 -0.001523 0.000552
C 7.73416 10.38071 23.08792 0.012133 -0.034183 -0.000435
C 4.51067 10.44133 26.65653 -0.005732 0.006349 -0.000408
C 5.56776 8.96876 24.28496 -0.025823 0.006175 0.0006
C 6.00179 12.12541 25.64551 0.005647 0.015437 0.000967
C 0.49578 11.9247 24.18053 -0.008253 0.015005 -0.000265
C 6.91091 12.19756 24.51761 -0.016168 0.013911 -0.00038
C 0.27285 8.49222 23.34037 -0.00908 0.003684 -0.00107
C 5.18716 11.05583 25.50452 -0.001199 -0.015716 0.000121
C 6.6577 11.07177 23.66474 -0.024483 0.009025 -2.7e-05
C 1.46733 12.12546 27.63365 -0.003105 0.000674 -0.00185
C 2.28202 11.05586 27.77412 -0.007484 -0.005034 -0.00097
C 6.6577 8.24342 23.66457 -0.027677 -0.016657 -0.000121
C 0.55815 12.19745 28.76188 0.008702 -0.002153 -0.000421
C 2.9585 10.44139 26.62181 0.00032 0.001877 -0.000714
C 7.73414 8.93456 23.08754 0.012687 0.035296 -0.000456
C 5.56779 10.34634 24.28506 -0.026232 -0.006495 9.5e-05
C 6.27143 12.78449 26.95233 -0.008276 0.0049 -0.001306
C 7.72359 12.99368 27.16273 0.010255 -0.003719 0.002908
C 1.55699 11.91673 25.1461 -0.000335 0.01492 -0.001657
C 0.49574 7.39059 24.18032 -0.009892 -0.021669 -0.000324
C 1.19752 12.78445 26.32668 0.007757 0.00462 0.001045
C 8.2007 12.6133 24.76916 0.010219 0.020441 0.000221
C 8.56381 12.99359 26.11609 -0.009067 -0.007526 -0.003677
C 8.20069 6.70192 24.76886 0.016705 -0.021404 0.001621
C 6.36327 9.65745 29.77553 -0.000723 -0.000596 1.3e-05
C 2.33889 10.81603 25.30319 0.015108 -0.005791 -0.000431
168
energy=-1515.04569506 config_type=nep2xyz pbc="T T T" virial="-38.24278953161261 -0.01576866187742764 -0.007106410286094057 -0.01576866187742764 -43.46158586656607 0.0032798816705049494 -0.007106410286094057 0.0032798816705049494 -4.972426761780523" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98299 -0.008012 0.001939 0.001155
C 1.47141 0.89094 19.98099 0.004682 0.000301 0.000601
C 2.93782 0.89094 19.97235 -0.006663 0.011191 -0.003855
C 3.67602 2.16424 19.96224 -0.011118 0.001551 -0.007959
C 0.73321 4.71084 19.98741 0.007022 -0.007538 0.00479
C 1.47141 3.43754 19.98058 0.004015 -0.004046 0.000342
C 2.93782 3.43754 19.9713 -0.003698 -0.011846 -0.004318
C 3.67602 4.71084 19.97958 0.004725 0.001609 -0.000271
C 0.73321 7.25743 19.98301 -0.00019 -0.000191 0.001582
C 1.47141 5.98413 19.98802 -0.006557 0.008912 0.005211
C 2.93782 5.98413 19.98756 0.008158 -0.009009 0.005223
C 3.67602 7.25743 19.98917 -0.002407 0.000371 0.006598
C 0.73321 9.80403 19.96843 -0.00399 0.003184 -0.00567
C 1.47141 8.53073 19.97925 -0.003076 0.007151 -0.000385
C 2.93782 8.53073 19.98687 -0.009813 0.002204 0.004649
C 3.67602 9.80403 19.98768 0.001384 0.001073 0.00446
C 0.73321 12.35062 19.98139 -0.002242 0.004378 0.00064
C 1.47141 11.07732 19.97829 -0.003099 -0.009822 -0.000939
C 2.93782 11.07732 19.98652 -0.009848 -0.000648 0.004397
C 3.67602 12.35062 19.98929 -0.002777 -0.003771 0.006476
C 0.73321 14.89722 19.98733 0.007942 0.00861 0.004635
C 1.47141 13.62392 19.98753 -0.008649 -0.009958 0.004969
C 2.93782 13.62392 19.98813 0.00698 0.01145 0.005411
C 3.67602 14.89722 19.98128 0.002671 -0.002297 0.000581
C 5.14244 2.16424 19.96478 0.017811 0.000775 -0.006908
C 5.88064 0.89094 19.97552 0.002631 0.010423 -0.002446
C 7.34705 0.89094 19.9841 -0.016957 0.001268 0.001982
C 8.08525 2.16424 19.98502 0.014953 0.000672 0.002274
C 5.14244 4.71084 19.98077 -0.000698 -0.002673 -0.000192
C 5.88064 3.43754 19.97474 0.001902 -0.012309 -0.002999
C 7.34705 3.43754 19.9839 -0.01598 -0.000164 0.001742
C 8.08525 4.71084 19.9882 -0.005394 -0.005064 0.004907
C 5.14244 7.25743 19.98703 0.011347 0.01071 0.004531
C 5.88064 5.98413 19.98663 -0.005159 -0.008056 0.003494
C 7.34705 5.98413 19.98683 0.001869 0.009157 0.003552
C 8.08525 7.25743 19.97948 -0.006491 0.011484 -0.000462
C 5.14244 9.80403 19.98362 0.002705 0.001634 0.001164
C 5.88064 8.53073 19.97948 0.015576 -0.00559 -0.000367
C 7.34705 8.53073 19.96845 -0.005037 -0.007857 -0.005285
C 8.08525 9.80403 19.95986 0.01291 -0.002005 -0.008683
C 5.14244 12.35062 19.98715 0.009875 -0.008904 0.004358
C 5.88064 11.07732 19.979 0.01624 0.001202 -0.00068
C 7.34705 11.07732 19.96718 -0.005448 0.011596 -0.00579
C 8.08525 12.35062 19.97752 -0.006489 -0.010815 -0.001399
C 5.14244 14.89722 19.9823 0.002129 0.004955 0.000592
C 5.88064 13.62392 19.98711 -0.004422 0.007567 0.003667
C 7.34705 13.62392 19.9862 0.004548 -0.009246 0.003183
C 8.08525 14.89722 19.98802 -0.005149 0.002029 0.004703
C 6.20353 4.51449 28.13294 -0.003752 0.004651 -0.000792
C 6.98532 3.41375 27.9751 0.009328 -0.006102 0.001699
C 3.02424 3.42082 23.34168 0.029862 -0.016729 -0.000109
C 6.74589 2.25525 28.78137 -0.00055 -0.00159 -0.001967
C 4.38142 2.97848 23.0899 -0.022722 -0.068963 -0.000184
C 7.60492 3.03911 26.65648 0.00428 0.006512 9.6e-05
C 6.54783 1.56653 24.285 0.030859 0.009479 -2.8e-05
C 6.1138 4.72319 25.64554 -0.00755 0.017117 0.001814
C 2.80134 4.52247 24.18066 -0.001978 0.031569 -0.002661
C 5.20468 4.79534 24.51792 0.016099 0.028404 -0.001261
C 3.02427 1.09 23.34143 0.022769 0.013196 -0.000211
C 6.92843 3.6536 25.50448 0.006089 -0.017216 -0.000444
C 5.45789 3.66955 23.66498 0.020989 0.012448 0.000365
C 1.82979 4.72324 27.63355 0.001476 -0.000668 0.001908
C 1.01511 3.65363 27.77405 0.007072 -0.004394 -0.002528
C 5.45789 0.8412 23.66478 0.024641 -0.017153 0.000324
C 2.73897 4.79523 28.76188 -0.009891 -0.003858 -0.001717
C 0.33862 3.03916 26.62173 0.000626 0.001268 0.001006
C 4.38144 1.53234 23.08971 -0.020671 0.072277 -0.000217
C 6.54779 2.94412 24.28506 0.033766 -0.007545 0.000475
C 5.84416 5.38226 26.95236 0.008923 0.004601 -0.000503
C 4.392 5.59145 27.16277 -0.008207 -0.004156 0.004491
C 1.74014 4.51451 25.14607 -0.00232 0.012873 0.002106
C 2.80139 15.26794 24.18056 -0.003094 -0.032497 -0.002544
C 2.0996 5.38222 26.32671 -0.009084 0.005085 -0.002912
C 3.91489 5.21108 24.7693 -0.004573 0.015708 0.002673
C 3.55178 5.59136 26.11619 0.007791 -0.006549 -0.005907
C 3.9149 14.57927 24.76917 -0.003105 -0.018495 0.002826
C 5.75232 2.25523 29.7755 -0.000517 -0.000544 0.001109
C 0.95824 3.41381 25.30318 -0.017012 -0.00691 -0.003873
C 1.79456 7.63591 25.14595 -0.002807 -0.013404 -0.003278
C 2.57651 8.73654 25.30297 0.016849 0.007268 0.002175
C 7.43382 8.7296 29.93945 0.006542 -0.004873 1.9e-05
C 2.33705 9.89511 24.49608 0.00822 -0.000928 -0.005518
C 8.79102 9.17197 30.19883 0.019039 -0.004719 -0.000705
C 3.19607 9.11115 26.62171 0.000131 -0.000576 -0.002461
C 2.13892 10.58381 28.99396 -0.001673 -0.001067 -0.000763
C 1.70488 7.42713 27.63349 -0.004155 -0.001763 -0.001225
C 7.21088 7.62794 29.09857 0.013118 -0.003911 -0.000368
C 0.79573 7.35505 28.76179 0.009861 0.003764 -0.001012
C 7.43379 11.06042 29.93948 0.006816 0.00649 -7.2e-05
C 2.5196 8.49667 27.77398 -0.007636 0.005609 -0.000628
C 1.04898 8.4809 29.61578 0.007378 0.004544 -0.00071
C 6.23924 7.42707 25.64541 0.006554 -0.014896 0.003357
C 5.42467 8.49671 25.50465 -0.001723 0.016218 -0.002056
C 1.04896 11.30915 29.61579 0.006766 -0.007296 -0.000779
C 7.14844 7.35512 24.51754 -0.021273 -0.013725 -0.001359
C 4.74821 9.11114 26.65659 -0.005511 -0.003533 0.001782
C 8.79098 10.61808 30.19885 0.020792 0.003396 -0.000745
C 2.13896 9.20623 28.99396 -0.001853 0.002924 -0.001017
C 1.43507 6.76817 26.32651 0.008488 -0.005004 0.001623
C 8.80136 6.55903 26.11595 -0.010001 0.007764 -0.006556
C 6.14964 7.63584 28.13287 0.004479 -0.006165 0.000695
C 7.21085 12.16211 29.09862 0.012779 0.002661 -0.000319
C 6.50898 6.76806 26.95229 -0.007746 -0.004243 -0.002808
C 8.32438 6.93926 28.50963 -0.000321 0.006197 -0.001337
C 7.96116 6.55893 27.16257 0.008618 0.003331 0.005488
C 8.32435 12.85077 28.50968 -0.000387 -0.004004 -0.001296
C 1.34342 9.89517 23.50294 0.011548 -0.001202 0.000624
C 5.3678 8.73653 27.97524 -0.010274 0.005962 -0.000207
C 1.74013 15.2757 25.14587 0.001632 -0.015328 0.002052
C 0.95818 1.09676 25.30301 -0.018438 0.0133 -0.004157
C 4.91933 1.08981 29.93941 -0.006012 -0.004364 -7.5e-05
C 1.19764 2.25532 24.49616 -0.017952 -0.001243 0.003174
C 3.56213 1.53218 30.19883 -0.019038 -0.004697 -0.00068
C 0.33862 1.47137 26.62161 -0.00013 -0.001613 0.002032
C 1.39576 2.94402 28.99396 0.001186 -0.002064 -0.000484
C 1.8298 15.06692 27.63345 0.004339 -0.000935 0.00176
C 5.14227 15.26773 29.09852 -0.012164 -0.002915 0.000395
C 2.73896 14.99483 28.76181 -0.010392 0.004707 -0.001745
C 4.91936 3.42063 29.93944 -0.006187 0.005783 -8.4e-05
C 1.01508 0.85688 27.77397 0.005893 0.006013 -0.003063
C 2.4857 0.84111 29.61575 -0.005767 0.004048 -0.000628
C 6.11391 15.06685 25.64534 -0.010111 -0.015203 0.000596
C 6.92847 0.85692 25.50433 0.007488 0.017634 0.001108
C 2.48573 3.66936 29.6158 -0.006792 -0.006649 -0.000693
C 5.2047 14.9949 24.5177 0.015145 -0.02784 -0.000697
C 7.60493 1.47136 26.65643 0.004381 -0.00436 -0.0017
C 3.56216 2.97829 30.19884 -0.020417 0.002623 -0.000631
C 1.39573 1.56644 28.9939 0.002324 0.00347 -0.000352
C 2.09961 14.40795 26.32657 -0.00902 -0.005149 -0.002525
C 3.55178 14.19882 26.11604 0.007542 0.007752 -0.00776
C 6.2035 15.27563 28.13282 -0.004439 -0.005726 -0.001062
C 5.14229 4.52233 29.09861 -0.0121 0.002316 0.000441
C 5.84417 14.40785 26.95222 0.007912 -0.00361 -9.3e-05
C 4.02877 14.57904 28.50964 0.002106 0.004893 -0.001759
C 4.39199 14.19871 27.1626 -0.007971 0.003241 0.006667
C 4.02879 5.21099 28.50974 0.000403 -0.00315 -0.001033
C 2.19126 2.25539 23.50268 -0.017107 -0.00116 -0.002345
C 6.98535 1.09674 27.97503 0.008874 0.006303 0.002287
C 6.14961 12.15428 28.13292 0.005029 0.005436 0.000562
C 5.36783 11.05354 27.97522 -0.010684 -0.006302 0.000136
C 0.51045 11.0606 23.34035 -0.01283 -0.001947 -0.001359
C 5.60726 9.89504 28.7815 0.000771 -0.000913 -0.000241
C 7.97172 10.61827 23.08815 0.013615 -0.04023 -0.000427
C 4.74823 10.67889 26.6566 -0.004368 0.005899 0.000528
C 5.80532 9.20632 24.2853 -0.024875 0.009474 0.00072
C 6.23935 12.36297 25.6455 0.005691 0.017001 0.002924
C 0.73334 12.16226 24.18032 -0.01032 0.022468 0.000885
C 7.14847 12.43512 24.51758 -0.022276 0.01107 -0.001219
C 0.51041 8.72978 23.34051 -0.010829 -0.001152 -0.001285
C 5.42472 11.29339 25.50465 -0.001046 -0.015615 -0.001209
C 6.89526 11.30933 23.66493 -0.022924 0.012034 -2.1e-05
C 1.70489 12.36302 27.63354 -0.003373 0.000253 -0.000592
C 2.51958 11.29342 27.77401 -0.007797 -0.004903 -0.001604
C 6.89526 8.48098 23.66496 -0.021658 -0.011463 8.7e-05
C 0.79571 12.43501 28.76183 0.008823 -0.002493 -0.001279
C 3.19606 10.67895 26.62174 -3e-06 0.001396 -0.001274
C 7.9717 9.17212 23.0883 0.01229 0.038345 -0.000407
C 5.80535 10.5839 24.28528 -0.025973 -0.008375 0.000423
C 6.50899 13.02205 26.95234 -0.007967 0.005573 -0.002967
C 7.96115 13.23124 27.16264 0.009256 -0.00452 0.00536
C 1.79455 12.15429 25.146 -0.000515 0.010059 -0.003217
C 0.7333 7.62815 24.18038 -0.008553 -0.022432 0.000785
C 1.43509 13.02201 26.32655 0.008119 0.004782 0.001214
C 8.43826 12.85086 24.76901 0.019744 0.018389 0.000792
C 8.80137 13.23115 26.11603 -0.009852 -0.007257 -0.006437
C 8.43825 6.93948 24.769 0.016636 -0.019848 0.000983
C 6.60083 9.89501 29.77561 -0.000749 -0.000393 0.000462
C 2.57645 11.05359 25.30308 0.016557 -0.002636 0.001883
168
energy=-1515.04455473 config_type=nep2xyz pbc="T T T" virial="-38.267010196256344 -0.021907927568372804 0.005045971800776845 -0.021907927568372804 -43.483704042959474 0.011185237491722008 0.005045971800776845 0.011185237491722008 -4.946061559121463" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98502 -0.005452 0.003837 0.002795
C 1.47141 0.89094 19.98365 0.007469 -0.000327 0.002554
C 2.93782 0.89094 19.97591 -0.005845 0.013841 -0.002385
C 3.67602 2.16424 19.9642 -0.011954 0.005568 -0.008268
C 0.73321 4.71084 19.98813 0.004149 -0.006311 0.006084
C 1.47141 3.43754 19.98243 0.005645 -0.005667 0.001609
C 2.93782 3.43754 19.97255 0.001748 -0.015469 -0.004552
C 3.67602 4.71084 19.97771 0.005947 0.005019 -0.001434
C 0.73321 7.25743 19.98413 0.000572 0.001314 0.002299
C 1.47141 5.98413 19.98835 -0.003937 0.007689 0.006413
C 2.93782 5.98413 19.98649 0.009912 -0.010647 0.005075
C 3.67602 7.25743 19.98841 -0.003536 -0.000328 0.006537
C 0.73321 9.80403 19.96668 0.004887 0.007243 -0.007424
C 1.47141 8.53073 19.97875 -0.001482 0.010948 -0.000819
C 2.93782 8.53073 19.98611 -0.009466 0.002443 0.004432
C 3.67602 9.80403 19.987 0.002509 0.002745 0.004232
C 0.73321 12.35062 19.97839 -0.004603 0.009484 -0.001226
C 1.47141 11.07732 19.97546 -0.003558 -0.015439 -0.003143
C 2.93782 11.07732 19.98492 -0.00766 -0.000829 0.003469
C 3.67602 12.35062 19.98895 -0.003538 -0.007121 0.006769
C 0.73321 14.89722 19.98764 0.006165 0.005876 0.005629
C 1.47141 13.62392 19.98648 -0.010725 -0.012974 0.00487
C 2.93782 13.62392 19.98844 0.004985 0.01018 0.006528
C 3.67602 14.89722 19.98347 0.001073 -0.00219 0.001947
C 5.14244 2.16424 19.96329 0.012844 -0.00348 -0.008608
C 5.88064 0.89094 19.9743 0.003643 0.006955 -0.003384
C 7.34705 0.89094 19.98327 -0.018891 0.000416 0.001632
C 8.08525 2.16424 19.98502 0.010711 0.000549 0.002482
C 5.14244 4.71084 19.97725 0.000686 -0.003603 -0.002117
C 5.88064 3.43754 19.97117 0.005171 -0.004578 -0.005223
C 7.34705 3.43754 19.98247 -0.019018 3.8e-05 0.000939
C 8.08525 4.71084 19.98805 -0.004997 -0.006228 0.00537
C 5.14244 7.25743 19.98698 0.010116 0.008678 0.004855
C 5.88064 5.98413 19.98535 -0.005396 -0.010891 0.002985
C 7.34705 5.98413 19.98718 -0.0015 0.00527 0.004076
C 8.08525 7.25743 19.98193 -0.004987 0.013366 0.000519
C 5.14244 9.80403 19.98445 -0.002515 0.001136 0.001782
C 5.88064 8.53073 19.98142 0.016594 -0.005712 0.0005
C 7.34705 8.53073 19.97133 -0.004372 0.000831 -0.004722
C 8.08525 9.80403 19.9609 0.001788 -0.007532 -0.009808
C 5.14244 12.35062 19.98761 0.006535 -0.005197 0.004924
C 5.88064 11.07732 19.9802 0.02111 -0.002254 -0.000591
C 7.34705 11.07732 19.9673 -0.007915 0.010354 -0.006859
C 8.08525 12.35062 19.97539 -0.00627 -0.007283 -0.00299
C 5.14244 14.89722 19.98302 0.004903 0.011048 0.001055
C 5.88064 13.62392 19.98724 -0.000849 0.004901 0.004034
C 7.34705 13.62392 19.98502 0.006472 -0.012073 0.002635
C 8.08525 14.89722 19.98735 -0.006 0.001819 0.004761
C 6.44109 4.75205 28.13296 -0.00506 0.004683 0.001489
C 7.22288 3.65131 27.97524 0.010465 -0.005239 -0.001783
C 3.2618 3.65838 23.34143 0.032807 -0.015462 -0.001361
C 6.98345 2.49281 28.78137 -0.003031 -0.001603 0.004754
C 4.61898 3.21604 23.08933 -0.023175 -0.05675 -0.000176
C 7.84248 3.27667 26.6566 0.005213 0.006348 -0.000966
C 6.78539 1.80409 24.28502 0.023838 0.006582 0.000505
C 6.35136 4.96075 25.64572 -0.00783 0.014851 -0.004643
C 3.0389 4.76003 24.18059 0.002047 0.031977 0.002058
C 5.44224 5.0329 24.51788 0.021145 0.023301 0.003631
C 3.26183 1.32756 23.34097 0.014573 0.004303 -0.001332
C 7.16599 3.89116 25.50456 0.004785 -0.016021 0.003404
C 5.69545 3.90711 23.66525 0.019694 0.007843 -0.000402
C 2.06735 4.9608 27.63373 0.001978 0.002519 -0.004639
C 1.25267 3.89119 27.7741 0.007887 -0.005439 0.000676
C 5.69545 1.07876 23.66471 0.027599 -0.014579 -0.000173
C 2.97653 5.03279 28.76193 -0.008305 -0.003629 0.001219
C 0.57619 3.27672 26.62183 8.4e-05 0.001114 -0.001648
C 4.619 1.7699 23.08884 -0.014676 0.069843 -0.000265
C 6.78535 3.18168 24.28515 0.032351 -0.002788 -0.000253
C 6.08172 5.61983 26.95238 0.009065 0.005882 0.001524
C 4.62956 5.82901 27.1628 -0.010064 -0.005489 0.004063
C 1.9777 4.75207 25.14627 -0.002566 0.008343 -0.003512
C 3.03895 0.22593 24.18042 -0.000514 -0.026336 0.001511
C 2.33716 5.61978 26.32672 -0.009013 0.005671 0.002762
C 4.15245 5.44864 24.76933 -0.010321 0.012696 -0.002878
C 3.78934 5.82892 26.1162 0.00727 -0.005874 -0.001974
C 4.15246 14.81683 24.76921 -0.001906 -0.016449 -0.002524
C 5.98988 2.49279 29.7756 0.001821 -0.000594 -0.001364
C 1.1958 3.65137 25.30322 -0.016165 -0.001992 0.001363
C 2.03212 7.87347 25.14592 -0.002516 -0.015007 0.001859
C 2.81407 8.9741 25.3031 0.016311 0.012454 -0.005075
C 7.67138 8.96716 29.93946 0.006072 -0.004697 0.000289
C 2.57461 10.13267 24.49602 0.011762 -0.004024 0.006964
C 0.21012 9.40953 30.19888 0.018904 -0.004612 -0.000692
C 3.43363 9.34871 26.62176 0.001412 -0.000949 -0.002559
C 2.37648 10.82137 28.99402 -0.001943 -0.001228 -0.000941
C 1.94244 7.66469 27.63361 -0.002501 -0.002601 -0.005713
C 7.44844 7.8655 29.09859 0.011681 -0.003854 -0.000349
C 1.03329 7.59261 28.7618 0.009135 0.004741 0.002152
C 7.67135 11.29798 29.93945 0.005668 0.006202 0.000316
C 2.75716 8.73423 27.77397 -0.007637 0.006477 0.002929
C 1.28655 8.71846 29.61583 0.007164 0.004021 -0.001287
C 6.4768 7.66463 25.64546 0.009051 -0.015027 -0.002394
C 5.66223 8.73427 25.50455 -0.005479 0.017586 0.001453
C 1.28652 11.54671 29.61583 0.006186 -0.00561 -0.001199
C 7.386 7.59268 24.51756 -0.01774 -0.020951 0.001534
C 4.98577 9.34871 26.65659 -0.005358 -0.002991 0.001275
C 0.21008 10.85564 30.19887 0.019903 0.003728 -0.000797
C 2.37652 9.44379 28.99403 -0.001126 0.002618 -0.002111
C 1.67263 7.00573 26.32659 0.0082 -0.005118 0.00048
C 0.22046 6.79659 26.11599 -0.009838 0.007348 -0.002383
C 6.3872 7.8734 28.13285 0.004511 -0.006168 0.001292
C 7.44842 12.39968 29.09861 0.011492 0.002432 -0.00065
C 6.74654 7.00562 26.95225 -0.006072 -0.003799 0.000524
C 8.56194 7.17682 28.5097 -0.002088 0.004696 -0.002846
C 8.19872 6.79649 27.16265 0.009082 0.002513 0.003884
C 8.56191 13.08833 28.50969 -0.000947 -0.003394 -0.002255
C 1.58098 10.13274 23.50304 0.014919 -0.003809 -0.004191
C 5.60536 8.97409 27.97523 -0.010649 0.004752 -0.002074
C 1.97769 0.23369 25.14584 0.006585 -0.016882 -0.003437
C 1.19574 1.33432 25.30292 -0.021541 0.016263 0.00193
C 5.15689 1.32738 29.93943 -0.00577 -0.004881 0.00033
C 1.4352 2.49288 24.49619 -0.009387 -0.004327 -0.003965
C 3.79969 1.76974 30.19881 -0.018513 -0.005827 -0.000764
C 0.57618 1.70893 26.62176 0.000233 -0.001286 -0.003933
C 1.63332 3.18158 28.99409 0.001085 -0.001031 -0.001242
C 2.06736 0.02491 27.63356 0.004315 -0.002063 -0.004612
C 5.37983 0.22572 29.09856 -0.011704 -0.003366 -0.001078
C 2.97652 15.23239 28.76182 -0.009927 0.005354 0.000798
C 5.15692 3.65819 29.9395 -0.00623 0.005921 0.000485
C 1.25264 1.09444 27.774 0.007582 0.00759 0.001602
C 2.72326 1.07867 29.6158 -0.005108 0.003496 -0.001009
C 6.35147 0.02484 25.64535 -0.010499 -0.013676 -0.001281
C 7.16604 1.09448 25.50442 0.006098 0.015908 0.000421
C 2.72329 3.90692 29.61591 -0.007342 -0.00556 -0.000983
C 5.44226 15.23246 24.51755 0.013934 -0.025135 0.00178
C 7.8425 1.70892 26.65649 0.00513 -0.003234 0.002451
C 3.79972 3.21585 30.19886 -0.018874 0.001184 -0.000716
C 1.63329 1.804 28.99403 0.001341 0.002695 -0.001736
C 2.33718 14.64551 26.3265 -0.008569 -0.005208 0.002318
C 3.78934 14.43638 26.11595 0.008942 0.00738 -0.00102
C 6.44107 0.23362 28.13282 -0.005584 -0.006314 0.002223
C 5.37985 4.75989 29.09869 -0.011293 0.002903 -0.000704
C 6.08173 14.64541 26.95222 0.007147 -0.003095 -0.000789
C 4.26633 14.8166 28.50965 0.001536 0.00396 -0.001755
C 4.62955 14.43627 27.16263 -0.010406 0.002048 0.002456
C 4.26635 5.44855 28.50984 -0.000553 -0.002409 -0.002497
C 2.42882 2.49295 23.50259 -0.023202 -0.003064 0.000119
C 7.22291 1.3343 27.9752 0.010915 0.005177 -0.002851
C 6.38717 12.39184 28.1329 0.005198 0.00578 0.000646
C 5.60539 11.2911 27.97523 -0.011769 -0.005713 -0.000925
C 0.74801 11.29816 23.34063 -0.022366 -0.00821 -8.2e-05
C 5.84482 10.1326 28.78141 0.002556 -0.001106 0.003984
C 8.20929 10.85583 23.08851 0.019847 -0.048041 -0.000339
C 4.98579 10.91645 26.65665 -0.004877 0.005862 -0.002225
C 6.04288 9.44388 24.28524 -0.022219 0.007987 7.9e-05
C 6.47691 12.60053 25.64561 0.006924 0.015716 -0.004036
C 0.97091 12.39982 24.18045 -0.008833 0.026985 -0.003044
C 7.38603 12.67268 24.51764 -0.02589 0.012981 0.001795
C 0.74797 8.96734 23.34089 -0.009684 -0.003852 -8.2e-05
C 5.66228 11.53095 25.50458 -0.00265 -0.016566 0.003628
C 7.13282 11.54689 23.66506 -0.024837 0.012152 1.3e-05
C 1.94245 12.60058 27.63362 -0.001991 0.001041 -0.003235
C 2.75714 11.53098 27.77407 -0.006522 -0.005266 -0.001069
C 7.13282 8.71855 23.66486 -0.024632 -0.010101 -9e-06
C 1.03327 12.67257 28.7618 0.007402 -0.00289 0.000841
C 3.43362 10.91651 26.62177 0.001997 0.001477 0.002338
C 8.20926 9.40968 23.0886 0.014029 0.050744 -0.000292
C 6.04291 10.82146 24.28525 -0.028362 -0.003869 -0.000594
C 6.74655 13.25961 26.95228 -0.008403 0.005844 0.00189
C 8.19871 13.4688 27.16265 0.010031 -0.00499 0.003898
C 2.03211 12.39185 25.14605 0.004582 0.006675 0.002809
C 0.97086 7.86571 24.18055 -0.004519 -0.020098 -0.002658
C 1.67265 13.25957 26.32664 0.007106 0.004999 -0.000846
C 8.67582 13.08842 24.76902 0.020875 0.016395 0.0003
C 0.22047 13.46871 26.11602 -0.009731 -0.00615 -0.003586
C 8.67581 7.17704 24.76917 0.007207 -0.018612 -0.000436
C 6.83839 10.13257 29.77561 -0.001672 -4.5e-05 -0.001173
C 2.81401 11.29115 25.30333 0.012135 -0.000511 -0.006862
168
energy=-1515.04374439 config_type=nep2xyz pbc="T T T" virial="-38.29017961677491 0.00782125629120411 0.005718768040880425 0.00782125629120411 -43.5183530493248 0.018291647777816063 0.005718768040880425 0.018291647777816063 -4.926172020273402" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98674 -0.003733 0.004687 0.004001
C 1.47141 0.89094 19.98582 0.009904 0.001706 0.004063
C 2.93782 0.89094 19.97866 -0.001577 0.012547 -0.000729
C 3.67602 2.16424 19.96595 -0.008628 0.009076 -0.007657
C 0.73321 4.71084 19.98875 0.002337 -0.007376 0.006352
C 1.47141 3.43754 19.98385 0.008122 -0.003056 0.002476
C 2.93782 3.43754 19.97313 0.004285 -0.015115 -0.004414
C 3.67602 4.71084 19.97549 0.004379 0.008869 -0.002769
C 0.73321 7.25743 19.98498 0.001278 0.000701 0.003039
C 1.47141 5.98413 19.98854 -0.001803 0.007181 0.006355
C 2.93782 5.98413 19.98531 0.011054 -0.013445 0.00409
C 3.67602 7.25743 19.98774 -0.004225 0.001476 0.00566
C 0.73321 9.80403 19.96559 0.009805 0.008865 -0.007678
C 1.47141 8.53073 19.97821 0.003258 0.013231 -0.000971
C 2.93782 8.53073 19.98541 -0.009814 0.000897 0.003786
C 3.67602 9.80403 19.98641 0.00429 0.005004 0.00379
C 0.73321 12.35062 19.9754 -0.004565 0.007372 -0.002705
C 1.47141 11.07732 19.97265 -0.004271 -0.014911 -0.004559
C 2.93782 11.07732 19.98344 -0.007994 -0.004301 0.002241
C 3.67602 12.35062 19.9886 -0.002224 -0.006737 0.006305
C 0.73321 14.89722 19.98787 0.003689 0.000105 0.005887
C 1.47141 13.62392 19.98531 -0.010633 -0.012702 0.004166
C 2.93782 13.62392 19.98852 0.001556 0.006504 0.006353
C 3.67602 14.89722 19.98508 -0.001505 0.001699 0.003092
C 5.14244 2.16424 19.96236 0.008401 -0.009514 -0.00917
C 5.88064 0.89094 19.97396 0.002105 0.007958 -0.003298
C 7.34705 0.89094 19.98308 -0.016622 -0.003657 0.001493
C 8.08525 2.16424 19.98535 0.00613 0.000625 0.002505
C 5.14244 4.71084 19.97338 0.006344 -0.001824 -0.004054
C 5.88064 3.43754 19.96764 0.009066 0.005048 -0.006786
C 7.34705 3.43754 19.98128 -0.023119 -0.002302 4.7e-05
C 8.08525 4.71084 19.98803 -0.003545 -0.00399 0.005127
C 5.14244 7.25743 19.98701 0.006685 0.003166 0.004541
C 5.88064 5.98413 19.98399 -0.007667 -0.014879 0.001936
C 7.34705 5.98413 19.98745 -0.002515 0.003067 0.00407
C 8.08525 7.25743 19.98396 -0.005702 0.012073 0.001781
C 5.14244 9.80403 19.98545 -0.007512 0.000483 0.002729
C 5.88064 8.53073 19.98339 0.017364 -0.002013 0.00174
C 7.34705 8.53073 19.97449 -0.002024 0.008323 -0.003216
C 8.08525 9.80403 19.96286 -0.010678 -0.00833 -0.008798
C 5.14244 12.35062 19.98812 0.003291 -0.004646 0.005254
C 5.88064 11.07732 19.98173 0.022346 -0.001542 0.000371
C 7.34705 11.07732 19.96846 -0.008222 0.002062 -0.006379
C 8.08525 12.35062 19.97381 -0.005131 -0.001216 -0.003814
C 5.14244 14.89722 19.98378 0.005205 0.012425 0.001641
C 5.88064 13.62392 19.98745 0.003253 0.003036 0.004116
C 7.34705 13.62392 19.98409 0.007384 -0.014691 0.002073
C 8.08525 14.89722 19.98696 -0.007692 0.004856 0.004561
C 6.67865 4.98961 28.13291 -0.005345 0.004227 0.001726
C 7.46044 3.88887 27.97515 0.010612 -0.005116 -0.00245
C 3.49936 3.89594 23.34133 0.029318 -0.014772 -0.000797
C 7.22101 2.73037 28.7813 -0.003625 -0.001013 0.00573
C 4.85654 3.4536 23.08843 -0.025715 -0.048748 -0.00024
C 8.08004 3.51423 26.6565 0.00394 0.006283 -0.000914
C 7.02295 2.04165 24.28484 0.01974 0.000484 0.000805
C 6.58892 5.19831 25.64562 -0.009069 0.015795 -0.004059
C 3.27646 4.99759 24.18062 0.005497 0.028988 0.000437
C 5.6798 5.27046 24.51783 0.022394 0.015561 0.002771
C 3.49939 1.56512 23.34129 0.008786 -0.000982 -0.000837
C 7.40355 4.12872 25.5044 0.003239 -0.017986 0.002998
C 5.93301 4.14467 23.66503 0.026911 0.009322 -0.000305
C 2.30491 5.19836 27.63382 0.00122 0.002801 -0.004882
C 1.49023 4.12875 27.77421 0.006756 -0.005609 0.000691
C 5.93301 1.31632 23.66452 0.032155 -0.011065 -0.000147
C 3.21409 5.27035 28.76195 -0.007477 -0.003667 0.001469
C 0.81375 3.51428 26.62192 -0.001238 0.000947 -0.000443
C 4.85657 2.00746 23.08817 -0.014985 0.060183 -0.000248
C 7.02291 3.41924 24.28493 0.029153 0.004915 -0.00037
C 6.31928 5.85739 26.95234 0.008356 0.006079 0.001952
C 4.86712 6.06657 27.1628 -0.009559 -0.005004 0.003047
C 2.21526 4.98963 25.14636 -0.00594 0.005812 -0.001365
C 3.27651 0.46349 24.18063 0.000283 -0.018177 -0.000102
C 2.57472 5.85735 26.32679 -0.007629 0.005223 0.002122
C 4.39001 5.6862 24.76928 -0.014661 0.013746 -0.002087
C 4.0269 6.06648 26.1162 0.007125 -0.005826 -0.00152
C 4.39002 15.05439 24.76935 0.002871 -0.017814 -0.001945
C 6.22744 2.73035 29.77557 0.002696 -0.000427 -0.001845
C 1.43336 3.88893 25.30344 -0.012274 0.001658 -0.001631
C 2.26968 8.11103 25.14593 -0.005455 -0.017713 -0.002367
C 3.05163 9.21166 25.30299 0.019045 0.015728 0.000847
C 7.90894 9.20472 29.93943 0.005779 -0.005513 0.000442
C 2.81217 10.37023 24.49629 0.009312 -0.005848 -0.00208
C 0.44768 9.64709 30.19891 0.019063 -0.005591 -0.000665
C 3.67119 9.58627 26.62177 0.000733 -0.001288 -0.004364
C 2.61404 11.05893 28.9941 -0.001729 -0.001041 -0.001488
C 2.18001 7.90225 27.63359 -0.002515 -0.001565 -0.004886
C 7.686 8.10306 29.09857 0.01079 -0.003403 -0.001723
C 1.27085 7.83017 28.7618 0.009029 0.004556 0.001401
C 7.90891 11.53554 29.93948 0.004133 0.005399 0.000449
C 2.99472 8.97179 27.77399 -0.007026 0.006627 0.002535
C 1.52411 8.95602 29.61583 0.005496 0.004111 -0.001156
C 6.71436 7.90219 25.64526 0.010497 -0.015763 0.003741
C 5.89979 8.97183 25.50437 -0.005351 0.018311 -0.003346
C 1.52408 11.78427 29.61594 0.006416 -0.006129 -0.001183
C 7.62357 7.83024 24.51761 -0.010611 -0.022499 -0.000329
C 5.22333 9.58627 26.65637 -0.004952 -0.002506 0.00544
C 0.44764 11.0932 30.19894 0.020136 0.003188 -0.000701
C 2.61408 9.68135 28.99402 -0.000893 0.001701 -0.001763
C 1.91019 7.24329 26.32659 0.008258 -0.005586 0.001547
C 0.45802 7.03415 26.11602 -0.008539 0.007394 -0.000708
C 6.62476 8.11096 28.13275 0.005999 -0.004761 0.004179
C 7.68598 12.63724 29.09866 0.010455 0.002438 -0.000987
C 6.9841 7.24319 26.95229 -0.00598 -0.003129 -0.004998
C 8.7995 7.41438 28.50969 -0.002194 0.003988 -0.002177
C 8.43628 7.03405 27.16269 0.008294 0.001407 0.003459
C 8.79948 13.32589 28.50984 -0.000867 -0.002635 -0.002439
C 1.81854 10.3703 23.50291 0.02103 -0.005263 -0.000589
C 5.84292 9.21165 27.97516 -0.011105 0.005025 -0.005362
C 2.21525 0.47125 25.14601 0.005293 -0.01752 -0.000528
C 1.4333 1.57188 25.30313 -0.017913 0.014698 -0.001285
C 5.39445 1.56494 29.93945 -0.005787 -0.003916 0.0005
C 1.67276 2.73045 24.49633 -0.010209 -0.005005 0.000712
C 4.03725 2.0073 30.1989 -0.017332 -0.005357 -0.000625
C 0.81374 1.94649 26.62184 -0.000672 -0.000844 -0.002468
C 1.87089 3.41914 28.99419 0.000392 -0.000443 -0.001191
C 2.30492 0.26247 27.63368 0.003599 -0.002002 -0.002952
C 5.61739 0.46328 29.09859 -0.010988 -0.003866 -0.00136
C 3.21408 0.19038 28.76192 -0.008416 0.004115 0.000799
C 5.39448 3.89575 29.93947 -0.005166 0.00645 0.000592
C 1.4902 1.332 27.77414 0.00643 0.008179 0.001149
C 2.96082 1.31623 29.61592 -0.006135 0.003983 -0.000976
C 6.58903 0.2624 25.64528 -0.010989 -0.015503 0.001502
C 7.4036 1.33204 25.50433 0.005485 0.016605 -0.001331
C 2.96085 4.14448 29.61599 -0.00629 -0.005348 -0.000912
C 5.67982 0.19045 24.51758 0.010786 -0.023536 0.000519
C 8.08006 1.94648 26.65641 0.004066 -0.003028 0.003583
C 4.03728 3.45341 30.19892 -0.018447 0.002529 -0.000647
C 1.87085 2.04156 28.99415 0.000531 0.002509 -0.001334
C 2.57474 14.88307 26.3267 -0.008997 -0.005932 -0.000374
C 4.0269 14.67394 26.11608 0.007875 0.007307 -0.000994
C 6.67863 0.47118 28.1328 -0.004868 -0.005393 0.003414
C 5.61741 4.99745 29.09866 -0.010757 0.002074 -0.001192
C 6.31929 14.88297 26.95228 0.006822 -0.002944 -0.003195
C 4.50389 15.05416 28.50974 0.001197 0.003727 -0.002342
C 4.86711 14.67383 27.16271 -0.008241 0.001374 0.003928
C 4.50391 5.68611 28.50982 0.000187 -0.002776 -0.002099
C 2.66638 2.73051 23.50308 -0.019561 -0.004433 -0.001586
C 7.46047 1.57186 27.97516 0.010898 0.005245 -0.004229
C 6.62473 12.6294 28.13289 0.004921 0.005095 0.00187
C 5.84295 11.52866 27.97515 -0.0104 -0.004019 -0.002752
C 0.98557 11.53572 23.34144 -0.030864 -0.015662 -0.001353
C 6.08238 10.37016 28.78128 0.003779 -0.00093 0.006268
C 8.44685 11.09339 23.08848 0.026786 -0.049631 -0.00029
C 5.22335 11.15401 26.65648 -0.004485 0.006622 -0.000998
C 6.28044 9.68144 24.2848 -0.019441 -0.001352 0.00128
C 6.71447 12.83809 25.64561 0.008207 0.01656 -0.003634
C 1.20847 12.63738 24.18062 -0.0036 0.029039 0.00152
C 7.62359 12.91024 24.51784 -0.022442 0.016597 0.002869
C 0.98553 9.2049 23.34119 -0.008159 -0.000459 -0.001178
C 5.89984 11.76851 25.50441 -0.003316 -0.017423 0.002603
C 7.37038 11.78445 23.66505 -0.025799 0.007724 -0.000392
C 2.18001 12.83814 27.63378 -0.00196 0.002549 -0.006483
C 2.9947 11.76854 27.77411 -0.006434 -0.005823 0.001687
C 7.37038 8.95611 23.66451 -0.032224 -0.011651 -0.000117
C 1.27084 12.91013 28.7619 0.007419 -0.003407 0.002075
C 3.67118 11.15407 26.62187 0.002321 0.00083 -0.001716
C 8.44682 9.64724 23.0881 0.015089 0.062463 -0.000316
C 6.28047 11.05902 24.2849 -0.029229 0.005512 -0.00039
C 6.98411 13.49717 26.95234 -0.009476 0.006317 0.001283
C 8.43627 13.70636 27.16281 0.009108 -0.005306 0.002453
C 2.26967 12.62942 25.14639 0.006324 0.005646 -0.003361
C 1.20842 8.10327 24.18053 0.000727 -0.018818 0.00087
C 1.91021 13.49713 26.32677 0.00773 0.00574 0.003735
C 0.09492 13.32598 24.76932 0.01247 0.012646 -0.003267
C 0.45803 13.70627 26.11618 -0.00791 -0.004524 -0.000475
C 0.09491 7.4146 24.76932 -0.001963 -0.017715 -0.002283
C 7.07595 10.37013 29.77555 -0.003278 -0.00053 -0.002021
C 3.05157 11.52872 25.30335 0.012391 0.000708 0.000502
168
energy=-1515.04389834 config_type=nep2xyz pbc="T T T" virial="-38.274957601842566 0.05794457617892077 0.02052028532315917 0.05794457617892077 -43.56591133354712 0.015348164227362904 0.02052028532315917 0.015348164227362904 -4.905399436360204" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98784 -0.002276 0.004153 0.004579
C 1.47141 0.89094 19.98727 0.008912 0.004883 0.004818
C 2.93782 0.89094 19.98064 0.004903 0.009202 0.000266
C 3.67602 2.16424 19.96742 -0.004684 0.008264 -0.007131
C 0.73321 4.71084 19.98897 0.000939 -0.009368 0.005971
C 1.47141 3.43754 19.98459 0.01022 0.000482 0.002655
C 2.93782 3.43754 19.97315 0.002124 -0.012009 -0.004684
C 3.67602 4.71084 19.97316 0.001365 0.012708 -0.004352
C 0.73321 7.25743 19.98573 0.002716 0.000146 0.003683
C 1.47141 5.98413 19.9885 -0.000772 0.006641 0.005935
C 2.93782 5.98413 19.98413 0.012861 -0.016234 0.002755
C 3.67602 7.25743 19.98714 -0.006073 0.003766 0.004657
C 0.73321 9.80403 19.96568 0.010141 0.008492 -0.007094
C 1.47141 8.53073 19.97807 0.006288 0.01312 -0.000623
C 2.93782 8.53073 19.98495 -0.009558 -0.002048 0.003323
C 3.67602 9.80403 19.98588 0.005904 0.006214 0.003645
C 0.73321 12.35062 19.97265 -0.002372 -0.000902 -0.003668
C 1.47141 11.07732 19.97007 -0.004124 -0.009358 -0.005308
C 2.93782 11.07732 19.98199 -0.011079 -0.008194 0.001264
C 3.67602 12.35062 19.98793 0.000244 -0.002724 0.005631
C 0.73321 14.89722 19.98789 0.002436 -0.006008 0.005725
C 1.47141 13.62392 19.98393 -0.008216 -0.009978 0.003211
C 2.93782 13.62392 19.98814 -0.001448 0.001531 0.0056
C 3.67602 14.89722 19.98614 -0.004638 0.005455 0.003559
C 5.14244 2.16424 19.96204 0.007477 -0.01521 -0.009254
C 5.88064 0.89094 19.97464 -0.001339 0.013108 -0.002951
C 7.34705 0.89094 19.98349 -0.011435 -0.009669 0.001623
C 8.08525 2.16424 19.98569 0.001444 0.002192 0.002524
C 5.14244 4.71084 19.96944 0.011691 0.002152 -0.006033
C 5.88064 3.43754 19.96438 0.012148 0.010678 -0.008066
C 7.34705 3.43754 19.98002 -0.024571 -0.005337 -0.001016
C 8.08525 4.71084 19.98773 -0.002378 -0.000627 0.004218
C 5.14244 7.25743 19.98694 0.00304 -0.004261 0.003993
C 5.88064 5.98413 19.9823 -0.010133 -0.01815 0.000696
C 7.34705 5.98413 19.98737 -0.000933 0.003493 0.003708
C 8.08525 7.25743 19.98559 -0.009826 0.007576 0.003
C 5.14244 9.80403 19.98653 -0.010433 0.000987 0.003739
C 5.88064 8.53073 19.9853 0.017342 0.003225 0.003097
C 7.34705 8.53073 19.97788 0.001567 0.0114 -0.000791
C 8.08525 9.80403 19.96589 -0.017092 -0.004106 -0.006899
C 5.14244 12.35062 19.98842 -0.000457 -0.007423 0.005421
C 5.88064 11.07732 19.9834 0.018348 0.000845 0.001594
C 7.34705 11.07732 19.97075 -0.004344 -0.006423 -0.004935
C 8.08525 12.35062 19.97293 -0.004543 0.004286 -0.003819
C 5.14244 14.89722 19.98461 0.004283 0.010018 0.002286
C 5.88064 13.62392 19.98763 0.00706 0.002296 0.004478
C 7.34705 13.62392 19.98344 0.008081 -0.016172 0.002047
C 8.08525 14.89722 19.9868 -0.011379 0.008411 0.004351
C 6.91621 5.22717 28.1328 -0.004378 0.004203 -0.000246
C 7.698 4.12643 27.97494 0.007822 -0.005153 0.001108
C 3.73692 4.1335 23.34175 0.021288 -0.017191 -0.000836
C 7.45857 2.96793 28.78125 -0.000618 -0.00112 -0.001045
C 5.0941 3.69116 23.08801 -0.030906 -0.049607 -0.000263
C 8.3176 3.75179 26.65631 0.003153 0.007099 -0.000445
C 7.26051 2.27921 24.28462 0.021753 -0.002756 -0.000203
C 6.82648 5.43587 25.64534 -0.01185 0.018654 -0.000279
C 3.51402 5.23515 24.18082 0.004421 0.026398 6.9e-05
C 5.91736 5.50802 24.51775 0.017166 0.013594 0.000456
C 3.73695 1.80268 23.34222 0.009271 0.003519 -0.000702
C 7.64111 4.36628 25.50412 0.004824 -0.022162 0.000855
C 6.17057 4.38223 23.66449 0.039338 0.016624 -0.000176
C 2.54248 5.43592 27.63387 0.002537 0.002012 -0.000853
C 1.72779 4.36631 27.77436 0.004599 -0.005452 -0.001363
C 6.17057 1.55388 23.66433 0.038525 -0.010752 5e-06
C 3.45165 5.50791 28.76207 -0.007489 -0.00215 -0.000619
C 1.05131 3.75184 26.62206 -0.002548 0.001958 -2e-06
C 5.09413 2.24502 23.08822 -0.023555 0.051075 -0.000282
C 7.26048 3.6568 24.28458 0.027427 0.007922 0.000157
C 6.55684 6.09495 26.95224 0.008822 0.005249 -0.000921
C 5.10468 6.30413 27.16278 -0.006017 -0.005058 0.007599
C 2.45282 5.22719 25.14654 -0.00836 0.005222 -0.001246
C 3.51407 0.70105 24.181 -0.00173 -0.017743 0.000111
C 2.81228 6.09491 26.32692 -0.007758 0.005522 0.001176
C 4.62757 5.92376 24.76931 -0.009452 0.017719 0.001169
C 4.26446 6.30404 26.1163 0.006153 -0.006629 -0.007962
C 4.62758 0.01238 24.76953 0.008098 -0.019588 -0.000669
C 6.465 2.96791 29.7754 0.00069 -0.0009 0.000724
C 1.67092 4.12649 25.30368 -0.009816 0.005634 -0.000487
C 2.50724 8.34859 25.1459 -0.004955 -0.020124 0.001436
C 3.28919 9.44922 25.3031 0.017793 0.019431 -0.003821
C 8.1465 9.44228 29.93934 0.004133 -0.004549 -0.000403
C 3.04973 10.60779 24.4964 0.015068 -0.00527 0.002834
C 0.68524 9.88465 30.19885 0.016985 -0.005624 -0.000714
C 3.90875 9.82383 26.62173 0.000807 -0.002096 0.001455
C 2.8516 11.29649 28.99419 -0.001038 -0.000873 -0.000423
C 2.41757 8.13981 27.63356 -0.004566 -0.000331 0.00123
C 7.92356 8.34062 29.09845 0.010186 -0.001974 0.000499
C 1.50841 8.06773 28.76188 0.008679 0.003277 -0.00142
C 8.14647 11.7731 29.93946 0.003993 0.005511 -7.2e-05
C 3.23228 9.20935 27.77412 -0.004995 0.007558 -0.00253
C 1.76167 9.19358 29.61587 0.005308 0.004183 -0.000832
C 6.95192 8.13975 25.64514 0.010771 -0.012001 -0.001247
C 6.13735 9.20939 25.50396 -0.005426 0.017032 0.001709
C 1.76164 12.02183 29.61604 0.008031 -0.005989 -0.000657
C 7.86113 8.0678 24.51751 -0.008483 -0.018085 1.5e-05
C 5.46089 9.82383 26.65624 -0.003442 -0.003307 -0.002367
C 0.68521 11.33076 30.19895 0.017742 0.002937 -0.000648
C 2.85164 9.91891 28.99407 -0.001329 0.002239 -0.000554
C 2.14775 7.48085 26.3267 0.008505 -0.006212 -0.003102
C 0.69558 7.27171 26.11605 -0.008757 0.00732 -0.0001
C 6.86232 8.34852 28.13269 0.003514 -0.004458 -0.001374
C 7.92354 12.8748 29.09864 0.00957 0.001442 0.000108
C 7.22166 7.48075 26.95209 -0.005703 -0.002907 0.001244
C 0.2186 7.65194 28.50967 -0.001883 0.00406 -0.000513
C 8.67384 7.27161 27.16272 0.006861 0.001225 -0.000854
C 0.21857 13.56345 28.50993 -0.000363 -0.001064 -0.002116
C 2.0561 10.60786 23.50285 0.01747 -0.003732 -0.002279
C 6.08048 9.44921 27.97488 -0.007562 0.005697 0.002052
C 2.45281 0.70881 25.14643 -0.00256 -0.014893 -0.001141
C 1.67086 1.80944 25.30348 -0.014193 0.007891 -0.00039
C 5.63201 1.8025 29.93941 -0.004005 -0.003817 -4.7e-05
C 1.91032 2.96801 24.4968 -0.013529 -0.004313 -0.001197
C 4.27481 2.24486 30.19897 -0.015924 -0.004032 -0.000494
C 1.0513 2.18405 26.62199 -0.0018 -0.001798 -0.000148
C 2.10845 3.6567 28.99426 0.000887 -0.000945 -0.000481
C 2.54248 0.50003 27.63381 0.003594 -0.00194 -0.000782
C 5.85495 0.70084 29.09855 -0.009524 -0.002035 0.000556
C 3.45164 0.42794 28.76206 -0.008257 0.0035 -0.000407
C 5.63204 4.13331 29.9394 -0.004177 0.006179 1.8e-05
C 1.72776 1.56956 27.77432 0.005197 0.006764 -0.000979
C 3.19838 1.55379 29.61603 -0.005947 0.003715 -0.000575
C 6.82659 0.49996 25.64526 -0.012849 -0.015612 -0.002266
C 7.64116 1.5696 25.50408 0.007199 0.02066 0.002087
C 3.19841 4.38204 29.61607 -0.005948 -0.004892 -0.000523
C 5.91738 0.42801 24.5177 0.00901 -0.024711 0.001226
C 8.31762 2.18404 26.65633 0.003385 -0.002966 -0.0014
C 4.27484 3.69097 30.19899 -0.017497 0.002888 -0.000576
C 2.10841 2.27912 28.99425 0.001226 0.002444 -0.000539
C 2.8123 15.12063 26.32692 -0.008738 -0.006925 0.000172
C 4.26446 14.9115 26.11624 0.008645 0.006463 -0.000128
C 6.91619 0.70874 28.13278 -0.003075 -0.004363 -0.000954
C 5.85497 5.23501 29.09856 -0.009721 0.001162 0.000116
C 6.55685 15.12053 26.95219 0.005774 -0.002845 0.002329
C 4.74145 0.01215 28.5098 0.00189 0.004198 -0.000305
C 5.10467 14.9114 27.16288 -0.006841 0.00116 -0.000359
C 4.74147 5.92367 28.50981 0.000537 -0.002216 -0.002208
C 2.90395 2.96807 23.50392 -0.011257 -0.005382 -0.00046
C 7.69803 1.80942 27.97495 0.007135 0.005309 0.0017
C 6.8623 12.86696 28.13289 0.003933 0.003851 1e-05
C 6.08051 11.76622 27.97497 -0.00833 -0.004705 0.00095
C 1.22313 11.77328 23.34204 -0.030624 -0.017117 -0.000441
C 6.31994 10.60772 28.78123 0.000297 -0.00204 -0.001755
C 8.68441 11.33095 23.08782 0.027585 -0.046286 -0.00022
C 5.46091 11.39157 26.6563 -0.003852 0.007011 0.000497
C 6.518 9.919 24.28421 -0.0161 -0.012204 -0.000447
C 6.95203 13.07565 25.64552 0.006894 0.015538 0.002611
C 1.44603 12.87494 24.18086 -0.000771 0.020705 -0.001955
C 7.86115 13.1478 24.518 -0.015398 0.016294 -0.001206
C 1.22309 9.44247 23.34133 -0.006487 0.003342 -0.000428
C 6.1374 12.00607 25.50423 -0.002912 -0.017732 -0.001038
C 7.60794 12.02201 23.66483 -0.027191 0.003799 7.7e-05
C 2.41757 13.0757 27.63381 -0.002919 0.000255 0.001234
C 3.23226 12.0061 27.77428 -0.004688 -0.005902 -0.002538
C 7.60794 9.19367 23.6641 -0.037418 -0.013288 -1.3e-05
C 1.5084 13.14769 28.76206 0.007707 -0.002644 -0.001427
C 3.90874 11.39163 26.62189 0.001274 0.001145 0.000946
C 8.68438 9.88481 23.08708 0.015772 0.063606 -0.000389
C 6.51804 11.29658 24.28438 -0.02735 0.015722 0.000519
C 7.22167 13.73473 26.95239 -0.009139 0.005377 -0.002798
C 8.67383 13.94392 27.16287 0.005022 -0.006212 0.00818
C 2.50723 12.86698 25.14646 0.006506 0.010809 0.001331
C 1.44598 8.34084 24.18059 0.003076 -0.013469 -0.00208
C 2.14777 13.73469 26.32699 0.008734 0.006534 -0.001559
C 0.33248 13.56354 24.76946 0.003952 0.014095 0.002668
C 0.69559 13.94383 26.11643 -0.003911 -0.004905 -0.008558
C 0.33247 7.65216 24.76933 -0.007261 -0.0175 -1.1e-05
C 7.31351 10.60769 29.77539 -0.000812 -0.001426 0.000777
C 3.28913 11.76628 25.30348 0.010021 -0.002287 -0.003593
168
energy=-1515.04513721 config_type=nep2xyz pbc="T T T" virial="-38.26213242351559 0.06841496766553272 0.019469041197997326 0.06841496766553272 -43.57427923678342 0.01644145811753122 0.019469041197997326 0.01644145811753122 -4.953252068937571" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.9883 -0.001339 0.003657 0.005159
C 1.47141 0.89094 19.98803 0.003909 0.006204 0.005506
C 2.93782 0.89094 19.9821 0.011374 0.009113 0.001
C 3.67602 2.16424 19.96913 -0.002506 0.002104 -0.006962
C 0.73321 4.71084 19.98876 -0.000322 -0.00832 0.00561
C 1.47141 3.43754 19.98485 0.013056 0.001549 0.002713
C 2.93782 3.43754 19.97337 -0.003539 -0.006879 -0.005085
C 3.67602 4.71084 19.9716 -0.001266 0.012916 -0.005578
C 0.73321 7.25743 19.98647 0.003966 0.002364 0.004432
C 1.47141 5.98413 19.98836 -0.000665 0.003972 0.005827
C 2.93782 5.98413 19.98337 0.014748 -0.016044 0.001945
C 3.67602 7.25743 19.9868 -0.007797 0.003655 0.004206
C 0.73321 9.80403 19.96685 0.007416 0.007514 -0.006271
C 1.47141 8.53073 19.9787 0.004392 0.011479 6.7e-05
C 2.93782 8.53073 19.98495 -0.007508 -0.002196 0.003383
C 3.67602 9.80403 19.98543 0.006366 0.003974 0.003713
C 0.73321 12.35062 19.97037 0.000906 -0.008064 -0.004546
C 1.47141 11.07732 19.96787 -0.000444 -0.002968 -0.006
C 2.93782 11.07732 19.98049 -0.016755 -0.007203 0.00053
C 3.67602 12.35062 19.98676 0.002501 0.001745 0.004883
C 0.73321 14.89722 19.98766 0.002668 -0.008806 0.005633
C 1.47141 13.62392 19.9822 -0.004154 -0.008065 0.00221
C 2.93782 13.62392 19.98712 -0.003207 -0.001868 0.004881
C 3.67602 14.89722 19.9867 -0.007059 0.004806 0.004049
C 5.14244 2.16424 19.96274 0.008269 -0.017335 -0.009338
C 5.88064 0.89094 19.97629 -0.005014 0.018464 -0.00226
C 7.34705 0.89094 19.98437 -0.005188 -0.012582 0.002134
C 8.08525 2.16424 19.98581 -0.002281 0.004467 0.002499
C 5.14244 4.71084 19.96632 0.011963 0.009033 -0.007642
C 5.88064 3.43754 19.96209 0.013589 0.008456 -0.009321
C 7.34705 3.43754 19.97853 -0.02079 -0.005064 -0.001874
C 8.08525 4.71084 19.98689 -0.00295 7.3e-05 0.003465
C 5.14244 7.25743 19.98676 0.000901 -0.009445 0.003982
C 5.88064 5.98413 19.98042 -0.010486 -0.018798 -0.000311
C 7.34705 5.98413 19.98674 0.000934 0.006725 0.003328
C 8.08525 7.25743 19.98673 -0.014039 0.000206 0.004189
C 5.14244 9.80403 19.98749 -0.010878 0.003646 0.005103
C 5.88064 8.53073 19.98694 0.014762 0.00623 0.004677
C 7.34705 8.53073 19.98112 0.005542 0.012873 0.001297
C 8.08525 9.80403 19.9696 -0.01475 -0.001021 -0.00497
C 5.14244 12.35062 19.98844 -0.004749 -0.008917 0.005975
C 5.88064 11.07732 19.98501 0.011371 0.001794 0.003099
C 7.34705 11.07732 19.97384 0.001852 -0.007729 -0.00356
C 8.08525 12.35062 19.97279 -0.005401 0.007129 -0.003569
C 5.14244 14.89722 19.98554 0.002324 0.008177 0.003111
C 5.88064 13.62392 19.98782 0.009879 0.000864 0.00528
C 7.34705 13.62392 19.98326 0.008811 -0.016033 0.002466
C 8.08525 14.89722 19.98689 -0.014714 0.009412 0.004641
C 7.15378 5.46473 28.13276 -0.003659 0.004058 -0.000954
C 7.93556 4.36399 27.97483 0.006906 -0.005193 0.001656
C 3.97448 4.37106 23.34242 0.017727 -0.020242 -0.000731
C 7.69613 3.20549 28.78116 -0.001015 -0.000355 -0.001311
C 5.33166 3.92873 23.08836 -0.034282 -0.056017 -0.000298
C 8.55516 3.98935 26.6562 0.001507 0.007808 -0.001337
C 7.49807 2.51677 24.28447 0.027698 -0.001003 -0.000109
C 7.06404 5.67343 25.64518 -0.015067 0.020658 -0.002421
C 3.75158 5.47271 24.181 -7.1e-05 0.026739 -2e-05
C 6.15492 5.74558 24.51768 0.011946 0.019155 0.001298
C 3.97452 2.04024 23.34294 0.014477 0.014346 -0.00048
C 7.87867 4.60384 25.50386 0.006951 -0.024923 0.002097
C 6.40813 4.61979 23.66401 0.047789 0.021674 -0.000165
C 2.78004 5.67348 27.6339 0.00178 0.002042 -0.001111
C 1.96535 4.60388 27.77437 0.004014 -0.004999 -0.000851
C 6.40813 1.79144 23.66404 0.045034 -0.015269 6.7e-05
C 3.68921 5.74547 28.76209 -0.008284 -0.002626 -0.000407
C 1.28887 3.9894 26.62212 -0.003675 0.002647 -8.1e-05
C 5.33169 2.48258 23.08869 -0.032893 0.050576 -0.000308
C 7.49804 3.89436 24.28441 0.029373 0.004799 -0.00018
C 6.7944 6.33251 26.95214 0.008253 0.004293 0.001632
C 5.34224 6.54169 27.16286 -0.006328 -0.003226 0.003043
C 2.69038 5.46475 25.14666 -0.011324 0.005798 -0.00099
C 3.75163 0.93861 24.18117 -0.003478 -0.023112 -0.000194
C 3.04984 6.33247 26.32698 -0.007293 0.00561 0.000477
C 4.86513 6.16132 24.76942 0.001603 0.020396 1.6e-05
C 4.50202 6.5416 26.11628 0.008565 -0.006298 -0.003544
C 4.86514 0.24994 24.76956 0.011332 -0.021356 -0.002582
C 6.70256 3.20547 29.77534 0.001466 -0.000753 0.000741
C 1.90848 4.36405 25.30381 -0.009778 0.00618 -0.000679
C 2.7448 8.58615 25.1459 -0.005438 -0.02193 0.000878
C 3.52675 9.68679 25.3031 0.016489 0.019971 -0.003207
C 8.38406 9.67984 29.93935 0.004833 -0.004512 -0.000403
C 3.28729 10.84535 24.4964 0.018096 -0.00246 0.002033
C 0.9228 10.12221 30.19885 0.01646 -0.006679 -0.000846
C 4.14631 10.0614 26.62175 0.000182 -0.001294 7.3e-05
C 3.08916 11.53405 28.9942 -0.000214 0.00047 -0.000496
C 2.65513 8.37737 27.63359 -0.004485 8e-06 0.000134
C 8.16112 8.57818 29.09845 0.010767 -0.002791 -0.000131
C 1.74597 8.30529 28.76189 0.007975 0.003187 -0.001188
C 8.38403 12.01066 29.93942 0.004829 0.006164 -0.000191
C 3.46985 9.44691 27.77414 -0.004897 0.007496 -0.001804
C 1.99923 9.43114 29.61588 0.006331 0.004849 -0.000954
C 7.18948 8.37731 25.64506 0.008926 -0.010883 0.001376
C 6.37491 9.44695 25.50385 -0.002282 0.016006 -0.000482
C 1.9992 12.25939 29.61602 0.00763 -0.00602 -0.000785
C 8.09869 8.30536 24.51741 -0.006857 -0.011681 -0.001177
C 5.69845 10.06139 26.65614 -0.002098 -0.003914 -0.000369
C 0.92277 11.56832 30.19891 0.017344 0.00313 -0.000749
C 3.0892 10.15647 28.99411 -0.000739 0.001853 -0.000867
C 2.38531 7.71841 26.32668 0.009158 -0.006005 -0.00189
C 0.93315 7.50927 26.11607 -0.006105 0.007055 -0.004749
C 7.09988 8.58608 28.13266 0.004207 -0.005482 -0.00027
C 8.1611 13.11236 29.0986 0.009875 0.001235 -0.000177
C 7.45922 7.71831 26.95208 -0.007037 -0.003481 -0.001992
C 0.45616 7.8895 28.50967 -0.000861 0.00391 -0.001747
C 0.09294 7.50917 27.16263 0.005662 0.002082 0.00393
C 0.45614 13.80101 28.50989 4.3e-05 -0.001402 -0.002029
C 2.29366 10.84542 23.50262 0.012455 -0.001697 -0.002156
C 6.31804 9.68677 27.97485 -0.008225 0.006486 0.000395
C 2.69037 0.94637 25.14662 -0.009376 -0.012136 -0.000396
C 1.90842 2.047 25.3037 -0.010908 0.00018 -0.000973
C 5.86957 2.04006 29.93939 -0.004888 -0.005104 -0.000159
C 2.14788 3.20557 24.49712 -0.020189 -0.002668 -0.000553
C 4.51237 2.48242 30.19904 -0.016001 -0.00399 -0.000424
C 1.28886 2.42161 26.62208 -0.002576 -0.001661 0.00064
C 2.34601 3.89426 28.99427 0.001456 -0.000711 -0.000571
C 2.78004 0.73759 27.63384 0.001968 -0.001208 0.000582
C 6.09251 0.9384 29.09853 -0.009042 -0.001656 0.000686
C 3.6892 0.6655 28.76209 -0.009191 0.003538 -0.000791
C 5.8696 4.37087 29.93939 -0.004235 0.005736 -6.9e-05
C 1.96533 1.80712 27.77438 0.00421 0.006102 -0.001619
C 3.43594 1.79135 29.61605 -0.005421 0.00321 -0.000556
C 7.06415 0.73752 25.64516 -0.01575 -0.017878 -0.003282
C 7.87872 1.80716 25.50389 0.008244 0.02501 0.002289
C 3.43597 4.6196 29.61606 -0.004536 -0.004637 -0.000501
C 6.15494 0.66557 24.51771 0.007012 -0.02641 0.001597
C 8.55518 2.4216 26.65622 0.002273 -0.003744 -0.001455
C 4.5124 3.92853 30.19905 -0.018026 0.00227 -0.000545
C 2.34597 2.51668 28.99428 0.001076 0.00176 -0.000251
C 3.04986 0.07862 26.327 -0.00803 -0.006406 -0.002008
C 4.50203 15.14906 26.11616 0.010665 0.005446 0.008015
C 7.15375 0.9463 28.13273 -0.003557 -0.004657 -0.001244
C 6.09253 5.47257 29.09855 -0.009247 0.000635 0.000371
C 6.79441 0.07852 26.95211 0.005711 -0.003182 0.004185
C 4.97901 0.24971 28.50976 0.001479 0.004939 0.001647
C 5.34223 15.14896 27.16296 -0.008562 0.000442 -0.008294
C 4.97904 6.16123 28.50979 0.001141 -0.003173 -0.001281
C 3.14151 3.20563 23.5046 -0.001403 -0.004597 -0.000618
C 7.93559 2.04698 27.97486 0.006375 0.005303 0.001868
C 7.09986 13.10452 28.13282 0.004393 0.003192 0.000168
C 6.31807 12.00378 27.9749 -0.008652 -0.00489 0.000336
C 1.46069 12.01085 23.34195 -0.024095 -0.013929 -0.00048
C 6.5575 10.84528 28.78117 0.001536 -0.002148 -0.000636
C 0.10351 11.56851 23.08683 0.020939 -0.042778 -0.00037
C 5.69847 11.62914 26.6562 -0.002579 0.006716 -0.000287
C 6.75556 10.15656 24.28385 -0.016233 -0.018561 -7.1e-05
C 7.18959 13.31322 25.6454 0.006001 0.012946 0.002172
C 1.68359 13.1125 24.18077 0.000824 0.011444 -0.001981
C 8.09871 13.38537 24.51783 -0.010886 0.013638 -0.0013
C 1.46066 9.68003 23.34129 -0.009104 0.007904 -0.000637
C 6.37496 12.24363 25.50404 -0.001201 -0.016012 -0.000614
C 7.8455 12.25958 23.66443 -0.02926 0.002116 -4.1e-05
C 2.65514 13.31326 27.63378 -0.00258 -0.000216 0.000828
C 3.46982 12.24366 27.77426 -0.004928 -0.005597 -0.002635
C 7.8455 9.43123 23.66388 -0.037072 -0.011914 -0.000147
C 1.74596 13.38525 28.76203 0.007884 -0.002784 -0.001344
C 4.1463 11.62919 26.62185 0.000278 0.00161 0.001131
C 0.10348 10.12237 23.08617 0.014563 0.054728 -0.000493
C 6.7556 11.53414 24.28401 -0.023648 0.02033 0.000128
C 7.45923 13.97229 26.95231 -0.007725 0.004385 -0.003035
C 0.09293 14.18148 27.16283 0.0053 -0.005511 0.006798
C 2.74479 13.10454 25.14632 0.002487 0.016403 0.001022
C 1.68354 8.5784 24.18053 0.0017 -0.009906 -0.002015
C 2.38533 13.97225 26.32693 0.008724 0.005839 -0.001342
C 0.57004 13.8011 24.76943 -0.002322 0.015105 0.001995
C 0.93315 14.18139 26.11637 -0.003634 -0.00559 -0.007368
C 0.57003 7.88972 24.76925 -0.007302 -0.017813 0.001024
C 7.55107 10.84526 29.77539 -0.001384 -0.000756 0.000196
C 3.52669 12.00384 25.30337 0.01231 -0.009051 -0.00343
168
energy=-1515.04665807 config_type=nep2xyz pbc="T T T" virial="-38.23450572790634 -0.005466469450841582 0.03633099696559328 -0.005466469450841582 -43.53811643887784 0.015095865637324062 0.03633099696559328 0.015095865637324062 -4.990718409558339" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98841 -0.00196 0.005046 0.004734
C 1.47141 0.89094 19.98847 -0.001332 0.003549 0.005082
C 2.93782 0.89094 19.98333 0.015495 0.013525 0.001568
C 3.67602 2.16424 19.97114 -0.001808 -0.006614 -0.005279
C 0.73321 4.71084 19.98839 -0.001489 -0.002992 0.00463
C 1.47141 3.43754 19.98504 0.01641 -0.001159 0.002484
C 2.93782 3.43754 19.97416 -0.009584 -0.001479 -0.004194
C 3.67602 4.71084 19.97112 -0.000766 0.007562 -0.005297
C 0.73321 7.25743 19.9873 0.003678 0.006418 0.004679
C 1.47141 5.98413 19.98851 -0.00079 -0.002003 0.005243
C 2.93782 5.98413 19.98337 0.015163 -0.011371 0.001637
C 3.67602 7.25743 19.98699 -0.008138 -0.000768 0.003896
C 0.73321 9.80403 19.96807 0.00354 0.006849 -0.004672
C 1.47141 8.53073 19.97995 -0.000723 0.009559 0.000887
C 2.93782 8.53073 19.98546 -0.003662 0.002562 0.003467
C 3.67602 9.80403 19.98506 0.004544 -0.001803 0.003451
C 0.73321 12.35062 19.968 0.003022 -0.005106 -0.004682
C 1.47141 11.07732 19.96546 0.007184 -0.001731 -0.005823
C 2.93782 11.07732 19.97851 -0.021318 -0.001247 -0.000455
C 3.67602 12.35062 19.98499 0.004607 0.003463 0.00337
C 0.73321 14.89722 19.98725 0.003746 -0.008499 0.004692
C 1.47141 13.62392 19.97984 -0.000762 -0.007963 0.000831
C 2.93782 13.62392 19.9854 -0.003861 -0.000507 0.003341
C 3.67602 14.89722 19.98696 -0.008172 -0.001825 0.003877
C 5.14244 2.16424 19.96413 0.007441 -0.01378 -0.007798
C 5.88064 0.89094 19.97844 -0.007255 0.019283 -0.001097
C 7.34705 0.89094 19.98542 0.000669 -0.009636 0.002339
C 8.08525 2.16424 19.98543 -0.004375 0.005997 0.002006
C 5.14244 4.71084 19.96407 0.006621 0.015517 -0.007646
C 5.88064 3.43754 19.96053 0.013055 -0.001415 -0.008903
C 7.34705 3.43754 19.97643 -0.011889 -0.00132 -0.002674
C 8.08525 4.71084 19.98537 -0.004434 -0.004332 0.00202
C 5.14244 7.25743 19.98656 0.00081 -0.010682 0.00362
C 5.88064 5.98413 19.97834 -0.007605 -0.017772 -0.0011
C 7.34705 5.98413 19.98537 0.000414 0.011687 0.002285
C 8.08525 7.25743 19.98729 -0.015378 -0.008836 0.004415
C 5.14244 9.80403 19.98835 -0.009631 0.007887 0.005713
C 5.88064 8.53073 19.98821 0.010253 0.004365 0.005485
C 7.34705 8.53073 19.9836 0.009386 0.015715 0.002809
C 8.08525 9.80403 19.97294 -0.006453 -0.004228 -0.002684
C 5.14244 12.35062 19.98832 -0.009325 -0.005819 0.005645
C 5.88064 11.07732 19.98639 0.005923 -0.001094 0.003909
C 7.34705 11.07732 19.97677 0.007327 -0.001267 -0.00171
C 8.08525 12.35062 19.97293 -0.005831 0.005478 -0.002679
C 5.14244 14.89722 19.9866 0.000767 0.008514 0.003617
C 5.88064 13.62392 19.98824 0.010809 -0.002785 0.005473
C 7.34705 13.62392 19.98364 0.009089 -0.013657 0.002859
C 8.08525 14.89722 19.98731 -0.015366 0.006307 0.00445
C 7.39134 5.70229 28.13273 -0.003809 0.003941 -0.000864
C 8.17312 4.60155 27.97479 0.007334 -0.004953 0.001361
C 4.21204 4.60862 23.34303 0.018551 -0.02269 -0.000559
C 7.93369 3.44305 28.78107 -0.00105 -0.00092 -0.000933
C 5.56922 4.16629 23.08914 -0.036068 -0.060243 -0.000363
C 8.79272 4.22691 26.65616 0.000845 0.007741 -0.001128
C 7.73563 2.75433 24.28434 0.032534 0.002503 1.8e-05
C 7.3016 5.91099 25.64513 -0.015217 0.020908 -0.001822
C 3.98914 5.71027 24.18116 -0.005237 0.027363 -0.000364
C 6.39248 5.98314 24.5177 0.007937 0.027502 0.000853
C 4.21208 2.2778 23.34303 0.017411 0.023406 -0.000739
C 8.11623 4.8414 25.50381 0.008346 -0.025784 0.001469
C 6.64569 4.85735 23.66386 0.046956 0.02212 -1.7e-05
C 3.0176 5.91104 27.6339 0.001586 0.00219 0.000456
C 2.20291 4.84144 27.77439 0.003845 -0.004266 -0.001171
C 6.64569 2.029 23.6638 0.046085 -0.023835 -0.000158
C 3.92677 5.98303 28.76211 -0.008909 -0.003073 -0.000885
C 1.52643 4.22696 26.62214 -0.002959 0.002825 0.000193
C 5.56925 2.72014 23.08914 -0.035782 0.056452 -0.000297
C 7.7356 4.13192 24.2844 0.033775 -0.003017 -0.000145
C 7.03196 6.57007 26.95213 0.007236 0.002855 0.002007
C 5.5798 6.77925 27.16295 -0.008025 -0.00287 -0.004152
C 2.92794 5.70231 25.1467 -0.011312 0.00865 -0.000324
C 3.98919 1.17617 24.18115 -0.005226 -0.030708 -9.1e-05
C 3.2874 6.57003 26.32703 -0.007527 0.005597 -0.001441
C 5.10269 6.39888 24.7695 0.008953 0.022256 -0.001392
C 4.73958 6.77916 26.11622 0.011259 -0.00641 0.003669
C 5.1027 0.4875 24.7694 0.008743 -0.023961 0.001874
C 6.94012 3.44303 29.77527 0.000813 -0.000347 0.000539
C 2.14604 4.60161 25.30386 -0.009981 0.005496 -0.001088
C 2.98236 8.82371 25.14598 -0.002137 -0.022234 0.00062
C 3.76431 9.92435 25.30311 0.014445 0.016535 -0.002784
C 8.62162 9.9174 29.93935 0.005211 -0.005908 -0.000547
C 3.52485 11.08291 24.49633 0.021677 0.000129 0.0014
C 1.16036 10.35977 30.19877 0.017321 -0.006331 -0.000788
C 4.38387 10.29896 26.62175 -0.000169 -0.000749 -2.3e-05
C 3.32673 11.77161 28.99407 -0.0005 0.000162 -0.000974
C 2.89269 8.61493 27.63356 -0.005511 0.00051 0.000287
C 8.39868 8.81574 29.09847 0.010705 -0.002908 -2.1e-05
C 1.98353 8.54285 28.76185 0.00934 0.003345 -0.001251
C 8.62159 12.24822 29.93941 0.006024 0.005859 -0.000485
C 3.70741 9.68447 27.77411 -0.005051 0.007378 -0.001724
C 2.23679 9.6687 29.61584 0.006237 0.004728 -0.000978
C 7.42704 8.61487 25.64519 0.007063 -0.009437 0.000193
C 6.61248 9.68451 25.50396 -0.000425 0.015764 -0.000484
C 2.23676 12.49695 29.61588 0.007194 -0.006092 -0.000949
C 8.33625 8.54292 24.51747 -0.009485 -0.009343 -0.000797
C 5.93602 10.29895 26.65618 -0.003126 -0.004178 -0.00041
C 1.16033 11.80588 30.19881 0.018769 0.003002 -0.000815
C 3.32676 10.39403 28.99407 -0.001235 0.001273 -0.000953
C 2.62287 7.95597 26.32669 0.008551 -0.005356 -0.002732
C 1.17071 7.74683 26.11596 -0.008975 0.005327 0.00527
C 7.33744 8.82364 28.13271 0.004455 -0.00658 -0.000711
C 8.39866 13.34992 29.09856 0.010521 0.001471 -4.5e-05
C 7.69678 7.95587 26.95208 -0.006894 -0.004099 0.000383
C 0.69372 8.12706 28.50966 -0.000845 0.004555 0.001121
C 0.3305 7.74673 27.16273 0.009438 0.002866 -0.006721
C 0.6937 14.03858 28.50977 0.000648 -0.002908 3.3e-05
C 2.53123 11.08298 23.50255 0.005083 -0.000718 -0.001957
C 6.5556 9.92433 27.97491 -0.008443 0.006871 0.000648
C 2.92793 1.18393 25.14663 -0.01022 -0.010812 -0.000661
C 2.14598 2.28456 25.30376 -0.01155 -0.000948 -0.000865
C 6.10713 2.27762 29.93931 -0.005306 -0.0038 9.1e-05
C 2.38544 3.44313 24.49726 -0.025824 -0.000913 -0.000169
C 4.74993 2.71998 30.19899 -0.016427 -0.003309 -0.000449
C 1.52642 2.65917 26.62209 -0.003143 -0.002106 0.000172
C 2.58357 4.13182 28.99426 0.000985 -0.001031 -0.000407
C 3.0176 0.97515 27.63383 0.002252 -0.002707 -0.000548
C 6.33007 1.17596 29.09846 -0.008607 -0.0025 1.6e-05
C 3.92676 0.90306 28.76206 -0.008941 0.003715 -0.000612
C 6.10716 4.60843 29.93934 -0.004748 0.005226 -0.000163
C 2.20289 2.04468 27.77434 0.003568 0.005657 -0.001069
C 3.6735 2.02892 29.616 -0.006238 0.003299 -0.000292
C 7.30171 0.97508 25.64497 -0.016884 -0.020162 -0.00012
C 8.11628 2.04472 25.50375 0.009336 0.027294 0.000865
C 3.67353 4.85716 29.61603 -0.005274 -0.004146 -0.000476
C 6.39251 0.90313 24.5176 0.007121 -0.026317 0.000275
C 8.79274 2.65916 26.65613 0.001277 -0.004205 -0.000572
C 4.74997 4.16609 30.19901 -0.017065 0.001496 -0.00042
C 2.58353 2.75425 28.99424 0.001467 0.002492 -0.000366
C 3.28742 0.31618 26.32692 -0.008778 -0.00544 0.001105
C 4.73959 0.10705 26.11623 0.007203 0.007543 -0.009399
C 7.39131 1.18386 28.13263 -0.004327 -0.005349 -0.000237
C 6.3301 5.71013 29.09853 -0.008154 0.000544 0.000381
C 7.03197 0.31608 26.95204 0.00673 -0.002503 -0.001056
C 5.21657 0.48727 28.50972 0.001728 0.004419 -0.002236
C 5.57979 0.10694 27.1627 -0.003848 0.002587 0.008886
C 5.2166 6.39879 28.50975 0.001441 -0.003713 0.000752
C 3.37907 3.44319 23.50484 0.00545 -0.00079 -0.000702
C 8.17315 2.28454 27.97476 0.005846 0.005614 0.001018
C 7.33742 13.34208 28.13279 0.004208 0.003878 -0.000812
C 6.55563 12.24134 27.97491 -0.008221 -0.006102 0.000748
C 1.69825 12.24841 23.34139 -0.013211 -0.010028 -0.000561
C 6.79506 11.08284 28.78122 0.001271 -0.001201 -0.001307
C 0.34107 11.80607 23.0863 0.013779 -0.042657 -0.000517
C 5.93603 11.8667 26.6562 -0.002883 0.00715 -0.000727
C 6.99312 10.39412 24.28395 -0.02106 -0.016725 -2.9e-05
C 7.42715 13.55078 25.64531 0.006437 0.011759 -4.7e-05
C 1.92115 13.35006 24.18059 -0.000598 0.006777 -0.001867
C 8.33627 13.62293 24.51759 -0.008638 0.010227 -0.000716
C 1.69822 9.91759 23.34138 -0.014046 0.010064 -0.000432
C 6.61252 12.48119 25.504 -0.00092 -0.014814 -0.000146
C 8.08306 12.49714 23.66414 -0.031499 0.007728 -0.000159
C 2.8927 13.55082 27.63365 -0.003573 -0.000315 -0.000178
C 3.70738 12.48122 27.77412 -0.006165 -0.005514 -0.001362
C 8.08306 9.66879 23.66409 -0.032053 -0.00859 -8.2e-05
C 1.98352 13.62281 28.76191 0.008708 -0.001859 -0.001049
C 4.38386 11.86675 26.62177 -0.000392 0.002029 -7.3e-05
C 0.34104 10.35993 23.08627 0.014491 0.040379 -0.000522
C 6.99316 11.7717 24.28398 -0.0209 0.015907 -0.000176
C 7.69679 14.20985 26.95218 -0.007743 0.003942 0.000286
C 0.33049 14.41904 27.16283 0.008465 -0.004487 -0.002561
C 2.98235 13.3421 25.14607 -0.002088 0.019943 0.000496
C 1.9211 8.81596 24.18055 -0.000553 -0.010007 -0.001988
C 2.62289 14.20981 26.32677 0.009047 0.005396 -0.002038
C 0.8076 14.03866 24.76932 -0.003875 0.01705 -0.000311
C 1.17071 14.41895 26.11615 -0.007527 -0.006169 0.00099
C 0.80759 8.12728 24.76923 -0.003504 -0.017331 -0.001251
C 7.78863 11.08282 29.7754 -0.001028 -0.000919 0.000295
C 3.76425 12.2414 25.30319 0.015963 -0.013908 -0.002775
168
energy=-1515.04740964 config_type=nep2xyz pbc="T T T" virial="-38.21827451861384 -0.10285372520583469 0.017534752007699536 -0.10285372520583469 -43.50056599872706 0.01143753608176085 0.017534752007699536 0.01143753608176085 -5.005225578485572" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98789 -0.005191 0.008036 0.004965
C 1.47141 0.89094 19.98828 -0.004048 -0.002071 0.005565
C 2.93782 0.89094 19.98448 0.015833 0.018538 0.00244
C 3.67602 2.16424 19.97435 -0.000483 -0.012663 -0.004198
C 0.73321 4.71084 19.98753 -0.002828 0.003652 0.004502
C 1.47141 3.43754 19.98529 0.01837 -0.004772 0.002942
C 2.93782 3.43754 19.97637 -0.012263 0.002713 -0.00326
C 3.67602 4.71084 19.97261 0.003162 -0.001653 -0.004975
C 0.73321 7.25743 19.9877 0.001415 0.009598 0.005551
C 1.47141 5.98413 19.98847 -0.000587 -0.008833 0.00588
C 2.93782 5.98413 19.98401 0.012555 -0.003488 0.002302
C 3.67602 7.25743 19.98719 -0.007125 -0.006704 0.004539
C 0.73321 9.80403 19.9697 0.000681 0.007887 -0.00464
C 1.47141 8.53073 19.9815 -0.005038 0.008258 0.00159
C 2.93782 8.53073 19.98595 0.000687 0.009338 0.003956
C 3.67602 9.80403 19.98438 0.00029 -0.006797 0.003148
C 0.73321 12.35062 19.966 0.001906 0.006361 -0.006524
C 1.47141 11.07732 19.9637 0.013171 -0.006607 -0.00763
C 2.93782 11.07732 19.97609 -0.021113 0.005946 -0.002287
C 3.67602 12.35062 19.98233 0.006403 0.000707 0.001598
C 0.73321 14.89722 19.98614 0.00563 -0.007999 0.00406
C 1.47141 13.62392 19.97674 -0.000224 -0.007905 -0.001179
C 2.93782 13.62392 19.98261 -0.003796 0.005572 0.001543
C 3.67602 14.89722 19.98661 -0.009702 -0.01146 0.003985
C 5.14244 2.16424 19.96722 0.002728 -0.005129 -0.006874
C 5.88064 0.89094 19.98093 -0.007495 0.014307 0.000167
C 7.34705 0.89094 19.98615 0.00554 -0.003173 0.003071
C 8.08525 2.16424 19.98431 -0.004701 0.006835 0.001894
C 5.14244 4.71084 19.96385 -0.001437 0.016538 -0.008446
C 5.88064 3.43754 19.96092 0.008014 -0.010957 -0.009695
C 7.34705 3.43754 19.97414 -0.000797 0.002946 -0.003801
C 8.08525 4.71084 19.98302 -0.006117 -0.011771 0.000691
C 5.14244 7.25743 19.98593 0.002904 -0.008888 0.003876
C 5.88064 5.98413 19.97637 -0.002642 -0.015224 -0.002032
C 7.34705 5.98413 19.98305 -0.002449 0.016113 0.001255
C 8.08525 7.25743 19.9869 -0.013947 -0.016512 0.004804
C 5.14244 9.80403 19.98849 -0.007819 0.012044 0.00648
C 5.88064 8.53073 19.98855 0.005368 -0.001532 0.00644
C 7.34705 8.53073 19.98506 0.012028 0.019718 0.004044
C 8.08525 9.80403 19.97613 0.001837 -0.011613 -0.001619
C 5.14244 12.35062 19.98752 -0.013489 0.00037 0.005525
C 5.88064 11.07732 19.98711 0.002609 -0.005544 0.004736
C 7.34705 11.07732 19.97946 0.009396 0.006762 -0.00087
C 8.08525 12.35062 19.97372 -0.003548 0.000263 -0.002936
C 5.14244 14.89722 19.98739 0.001063 0.010243 0.004711
C 5.88064 13.62392 19.98837 0.009096 -0.00709 0.006372
C 7.34705 13.62392 19.9843 0.008473 -0.009725 0.003321
C 8.08525 14.89722 19.98747 -0.013628 0.001928 0.004812
C 7.6289 5.93986 28.13282 -0.003325 0.003787 -0.000553
C 8.41068 4.83911 27.97488 0.006939 -0.004833 0.001685
C 4.4496 4.84618 23.34334 0.024163 -0.02311 -0.00058
C 8.17125 3.68061 28.78117 -0.001436 -0.001724 -0.001366
C 5.80679 4.40385 23.08988 -0.035189 -0.057643 -0.000155
C 0.21182 4.46447 26.65624 0.000968 0.007545 -0.001207
C 7.97319 2.99189 24.2844 0.033508 0.005695 -0.000146
C 7.53916 6.14855 25.64529 -0.012076 0.019916 -0.00096
C 4.2267 5.94783 24.18127 -0.006009 0.028065 -0.000247
C 6.63004 6.2207 24.51789 0.005649 0.032971 0.000861
C 4.44964 2.51536 23.34243 0.016411 0.023706 -0.000406
C 8.35379 5.07896 25.50397 0.00824 -0.02348 0.001659
C 6.88325 5.09491 23.66418 0.037127 0.016749 -1.4e-05
C 3.25516 6.1486 27.63393 0.001755 0.001985 -0.000537
C 2.44047 5.079 27.77435 0.004653 -0.004353 -0.001385
C 6.88325 2.26656 23.6638 0.044524 -0.030054 5.8e-05
C 4.16434 6.22059 28.76216 -0.008713 -0.003527 -0.000507
C 1.76399 4.46453 26.62208 -0.001228 0.001739 0.000562
C 5.80681 2.9577 23.08916 -0.031979 0.06477 -0.000323
C 7.97316 4.36948 24.28458 0.037248 -0.007903 3.2e-05
C 7.26952 6.80763 26.95225 0.007553 0.002587 2.9e-05
C 5.81736 7.01681 27.16288 -0.004265 -0.004371 0.00975
C 3.1655 5.93987 25.14674 -0.011049 0.011447 -0.000322
C 4.22675 1.41373 24.18093 -0.004006 -0.033172 -0.001034
C 3.52496 6.80759 26.32706 -0.009709 0.005871 0.001309
C 5.34025 6.63644 24.7696 0.011924 0.021669 0.002162
C 4.97714 7.01673 26.11645 0.006142 -0.006059 -0.009953
C 5.34026 0.72506 24.76932 0.004881 -0.023084 -0.001789
C 7.17768 3.68059 29.77534 0.000433 -0.001078 0.000805
C 2.3836 4.83917 25.30376 -0.011797 0.001949 -0.001461
C 3.21992 9.06127 25.1462 0.000828 -0.020408 0.000636
C 4.00187 10.16191 25.30318 0.012447 0.011661 -0.002828
C 0.04072 10.15496 29.93939 0.004751 -0.004412 -0.000294
C 3.76241 11.32047 24.49634 0.02342 0.001098 0.001024
C 1.39792 10.59733 30.19888 0.017114 -0.004817 -0.000802
C 4.62143 10.53652 26.62174 0.000109 -0.001158 0.000348
C 3.56429 12.00917 28.99398 -0.000385 -0.000234 -0.001113
C 3.13025 8.85249 27.63364 -0.004684 -2e-05 0.001404
C 8.63624 9.05331 29.09852 0.010674 -0.003134 -0.000245
C 2.22109 8.78041 28.76195 0.009296 0.00364 -0.001669
C 0.04069 12.48578 29.93926 0.006286 0.007124 -0.000571
C 3.94497 9.92203 27.77413 -0.00535 0.006049 -0.002541
C 2.47435 9.90626 29.61593 0.008003 0.005065 -0.000888
C 7.6646 8.85243 25.64526 0.005829 -0.011343 0.001887
C 6.85004 9.92207 25.50408 -0.000441 0.016088 -0.001332
C 2.47432 12.73451 29.61575 0.005913 -0.006253 -0.0011
C 8.57381 8.78048 24.51761 -0.011318 -0.01288 -0.001225
C 6.17358 10.53651 26.65618 -0.003449 -0.003385 0.000538
C 1.39789 12.04344 30.19877 0.019892 0.004051 -0.001027
C 3.56432 10.63159 28.99407 -0.002038 0.001755 -0.000629
C 2.86043 8.19353 26.32681 0.00917 -0.005044 -0.002924
C 1.40827 7.98439 26.11609 -0.008019 0.005506 0.000231
C 7.57501 9.0612 28.13272 0.004713 -0.005427 0.000196
C 8.63622 13.58748 29.09838 0.011062 0.001384 -0.000315
C 7.93434 8.19343 26.95216 -0.007386 -0.003736 -0.00139
C 0.93128 8.36462 28.50973 -0.000499 0.004608 -6.3e-05
C 0.56806 7.98429 27.16274 0.00782 0.003203 -0.000874
C 0.93126 14.27614 28.50953 -0.000583 -0.003503 -0.000954
C 2.76879 11.32054 23.50284 -0.001046 -0.001117 -0.001931
C 6.79316 10.16189 27.9749 -0.008149 0.005781 -0.000131
C 3.16549 1.42149 25.14635 -0.006894 -0.012267 0.000329
C 2.38354 2.52212 25.30354 -0.013499 0.002908 -0.00194
C 6.34469 2.51518 29.9393 -0.005606 -0.004878 -0.000249
C 2.623 3.68069 24.49707 -0.028803 0.000104 0.000606
C 4.98749 2.95754 30.19896 -0.016785 -0.004138 -0.00052
C 1.76398 2.89673 26.62195 -0.001921 -0.003041 0.001025
C 2.82113 4.36939 28.99423 0.00059 -0.001692 -0.000354
C 3.25516 1.21271 27.63369 0.003851 -0.00258 0.001059
C 6.56763 1.41352 29.09843 -0.010121 -0.002154 0.000499
C 4.16432 1.14062 28.76198 -0.010805 0.003752 -0.001226
C 6.34472 4.846 29.93941 -0.005148 0.005275 0.000171
C 2.44045 2.28224 27.77423 0.004035 0.005698 -0.002104
C 3.91106 2.26648 29.61592 -0.005155 0.003525 -0.000683
C 7.53927 1.21264 25.64499 -0.016687 -0.017877 -0.00249
C 8.35384 2.28228 25.50377 0.008664 0.025526 0.001879
C 3.91109 5.09472 29.61604 -0.006838 -0.005465 -0.000314
C 6.63007 1.14069 24.51751 0.010081 -0.023632 0.001019
C 0.21184 2.89672 26.65615 0.001156 -0.004526 -0.001464
C 4.98753 4.40365 30.19903 -0.017373 0.000949 -0.00055
C 2.82109 2.99181 28.99413 0.001678 0.002683 -0.000285
C 3.52498 0.55374 26.32679 -0.007876 -0.003978 -0.00258
C 4.97715 0.34461 26.11598 0.012417 0.007267 0.005741
C 7.62887 1.42142 28.13263 -0.003565 -0.005299 -0.001205
C 6.56766 5.94769 29.0986 -0.009914 0.001315 0.000345
C 7.26953 0.55364 26.95196 0.006359 -0.00259 0.002934
C 5.45413 0.72483 28.5096 0.001157 0.005296 0.001101
C 5.81735 0.34451 27.16279 -0.008699 0.001258 -0.006298
C 5.45416 6.63635 28.50987 0.00093 -0.002389 -0.002507
C 3.61663 3.68075 23.5044 0.006566 0.000606 -0.001053
C 8.41072 2.5221 27.97479 0.006249 0.006637 0.001858
C 7.57498 13.57964 28.1326 0.004887 0.00378 -0.000479
C 6.79319 12.4789 27.97483 -0.008641 -0.004975 0.000331
C 1.93581 12.48597 23.34081 -0.006804 -0.009917 -0.000881
C 7.03262 11.3204 28.78116 0.001488 7.3e-05 -0.000688
C 0.57863 12.04363 23.08643 0.01252 -0.047885 -0.000646
C 6.17359 12.10426 26.65615 -0.002324 0.006972 -0.000882
C 7.23068 10.63168 24.28426 -0.026745 -0.006517 0.000276
C 7.66471 13.78834 25.64511 0.006738 0.013255 0.000323
C 2.15871 13.58762 24.18035 -0.002428 0.010513 -0.001877
C 8.57383 13.86049 24.5173 -0.010463 0.007714 -0.000854
C 1.93578 10.15515 23.34177 -0.017369 0.009421 -0.000559
C 6.85008 12.71875 25.50394 -0.000925 -0.01571 -0.000126
C 8.32062 12.7347 23.66386 -0.034607 0.016662 -0.000326
C 3.13026 13.78838 27.6335 -0.003518 -0.000135 -0.0003
C 3.94494 12.71878 27.77402 -0.005836 -0.005651 -0.001799
C 8.32062 9.90635 23.66439 -0.024933 -0.006133 1.9e-05
C 2.22108 13.86037 28.76176 0.008365 -0.001869 -0.00141
C 4.62142 12.10431 26.6217 -0.000121 0.003071 -0.000267
C 0.57861 10.59749 23.08732 0.016221 0.031355 -0.000481
C 7.23072 12.00926 24.28409 -0.022211 0.007648 -0.000285
C 7.93435 14.44741 26.95202 -0.00753 0.004149 -0.001218
C 0.56805 14.6566 27.16256 0.008883 -0.003561 2.1e-05
C 3.21991 13.57966 25.14582 -0.002633 0.018673 9e-06
C 2.15866 9.05352 24.18075 -0.000624 -0.013601 -0.001646
C 2.86045 14.44737 26.32656 0.007805 0.004072 -0.001792
C 1.04516 14.27622 24.76903 0.002882 0.019644 -0.000401
C 1.40827 14.65651 26.1159 -0.009247 -0.006965 -0.001367
C 1.04515 8.36484 24.76931 -0.001135 -0.019146 1e-06
C 8.02619 11.32038 29.77535 -0.000446 -0.000744 8.9e-05
C 4.00181 12.47896 25.30308 0.016692 -0.013246 -0.002711
168
energy=-1515.0472339 config_type=nep2xyz pbc="T T T" virial="-38.20809847548227 -0.16580222342052583 0.0028593840204402124 -0.16580222342052583 -43.46259506092622 0.01496971634230464 0.0028593840204402124 0.01496971634230464 -5.0047209813054945" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98726 -0.010255 0.010242 0.005213
C 1.47141 0.89094 19.98786 -0.003436 -0.006987 0.005475
C 2.93782 0.89094 19.98547 0.013766 0.019573 0.003461
C 3.67602 2.16424 19.978 0.00259 -0.012957 -0.001964
C 0.73321 4.71084 19.98664 -0.004055 0.00775 0.00431
C 1.47141 3.43754 19.98576 0.018231 -0.005402 0.00391
C 2.93782 3.43754 19.9793 -0.01174 0.004269 -0.001198
C 3.67602 4.71084 19.97519 0.009174 -0.009697 -0.003569
C 0.73321 7.25743 19.98787 -0.001779 0.009281 0.006097
C 1.47141 5.98413 19.98846 0.000386 -0.0132 0.006598
C 2.93782 5.98413 19.98498 0.007473 0.003313 0.003546
C 3.67602 7.25743 19.98736 -0.004968 -0.009719 0.005146
C 0.73321 9.80403 19.97138 -0.000341 0.010236 -0.004559
C 1.47141 8.53073 19.98292 -0.006107 0.008521 0.002116
C 2.93782 8.53073 19.98628 0.004423 0.013665 0.004167
C 3.67602 9.80403 19.98349 -0.004929 -0.006338 0.002372
C 0.73321 12.35062 19.96421 -0.002642 0.017849 -0.008585
C 1.47141 11.07732 19.96241 0.012635 -0.014517 -0.009433
C 2.93782 11.07732 19.97332 -0.014776 0.009524 -0.004733
C 3.67602 12.35062 19.97926 0.007616 -0.004177 -0.000939
C 0.73321 14.89722 19.98464 0.008777 -0.010563 0.002842
C 1.47141 13.62392 19.97327 -0.00336 -0.004997 -0.003857
C 2.93782 13.62392 19.97922 -0.002421 0.013538 -0.000988
C 3.67602 14.89722 19.98582 -0.01265 -0.018727 0.003778
C 5.14244 2.16424 19.97099 -0.003121 0.003798 -0.005222
C 5.88064 0.89094 19.98311 -0.006628 0.007752 0.001691
C 7.34705 0.89094 19.98646 0.009713 0.002848 0.003752
C 8.08525 2.16424 19.98282 -0.004 0.007773 0.001764
C 5.14244 4.71084 19.9649 -0.006253 0.011087 -0.008512
C 5.88064 3.43754 19.96243 0.000432 -0.012119 -0.009614
C 7.34705 3.43754 19.97197 0.009308 0.004572 -0.004722
C 8.08525 4.71084 19.98029 -0.006607 -0.01656 -0.000899
C 5.14244 7.25743 19.98501 0.005895 -0.00679 0.003934
C 5.88064 5.98413 19.97459 0.001204 -0.012125 -0.003197
C 7.34705 5.98413 19.98018 -0.00448 0.016642 -0.000289
C 8.08525 7.25743 19.98603 -0.011881 -0.019824 0.00469
C 5.14244 9.80403 19.98828 -0.006281 0.013734 0.006705
C 5.88064 8.53073 19.98839 0.001187 -0.00727 0.006943
C 7.34705 8.53073 19.98586 0.014351 0.021906 0.004818
C 8.08525 9.80403 19.97894 0.006159 -0.017553 -0.000589
C 5.14244 12.35062 19.98651 -0.015207 0.005623 0.00497
C 5.88064 11.07732 19.98748 0.001398 -0.00711 0.005194
C 7.34705 11.07732 19.98174 0.00883 0.010623 0.000116
C 8.08525 12.35062 19.97506 0.002723 -0.005158 -0.002927
C 5.14244 14.89722 19.9879 0.002762 0.010857 0.005773
C 5.88064 13.62392 19.98848 0.005689 -0.009917 0.006895
C 7.34705 13.62392 19.98523 0.007244 -0.005132 0.003787
C 8.08525 14.89722 19.98748 -0.010715 -7.1e-05 0.004783
C 7.86646 6.17742 28.13281 -0.004982 0.003789 0.002407
C 8.64824 5.07667 27.97497 0.009367 -0.00455 -0.002821
C 4.68716 5.08374 23.34305 0.029987 -0.022914 -0.001267
C 8.40881 3.91817 28.78109 -0.003517 -0.002496 0.004338
C 6.04435 4.64141 23.08962 -0.029098 -0.049937 -0.000226
C 0.44938 4.70203 26.65624 0.003087 0.007364 0.00154
C 8.21075 3.22946 24.28429 0.029687 0.002219 0.000914
C 7.77673 6.38611 25.64542 -0.008501 0.017825 0.000806
C 4.46427 6.18539 24.18108 -0.005771 0.026404 0.00204
C 6.8676 6.45826 24.51797 0.008272 0.03112 0.00072
C 4.6872 2.75292 23.34158 0.011489 0.020034 -0.001397
C 8.59135 5.31653 25.50414 0.005981 -0.019712 -0.00023
C 7.12081 5.33247 23.66456 0.026122 0.008518 6.5e-05
C 3.49272 6.38616 27.63389 0.000917 0.001776 -0.003877
C 2.67803 5.31656 27.77424 0.006768 -0.004252 0.00134
C 7.12081 2.50412 23.66376 0.041585 -0.030274 1.3e-05
C 4.4019 6.45815 28.76207 -0.008812 -0.004214 0.000952
C 2.00155 4.70209 26.62199 -0.000547 0.001978 -0.003195
C 6.04437 3.19526 23.08834 -0.023003 0.069028 -0.000421
C 8.21072 4.60704 24.28459 0.037666 -0.004804 0.00039
C 7.50708 7.04519 26.95233 0.008175 0.003307 -0.001883
C 6.05492 7.25437 27.16292 -0.007268 -0.004696 0.00352
C 3.40306 6.17743 25.14664 -0.007336 0.013762 -0.003933
C 4.46431 1.65129 24.18056 -0.003385 -0.02899 0.001311
C 3.76252 7.04515 26.32696 -0.009512 0.005771 0.002607
C 5.57781 6.874 24.76961 0.008109 0.018046 -0.001257
C 5.2147 7.25429 26.11636 0.006943 -0.005061 -0.00231
C 5.57782 0.96262 24.76916 0.003109 -0.021646 -0.001661
C 7.41524 3.91815 29.77537 0.001582 -0.002098 -0.001227
C 2.62116 5.07673 25.30345 -0.013794 -0.0011 0.0037
C 3.45748 9.29883 25.14645 0.003797 -0.017628 -0.002002
C 4.23943 10.39947 25.30333 0.011959 0.007004 0.000768
C 0.27828 10.39252 29.9394 0.005627 -0.005037 0.000177
C 3.99997 11.55803 24.4966 0.022332 -0.000783 -0.002856
C 1.63548 10.83489 30.19895 0.016685 -0.003384 -0.000717
C 4.85899 10.77408 26.6219 0.000581 -0.000995 -0.002747
C 3.80185 12.24673 28.99407 -0.000955 -0.000902 -0.001323
C 3.36781 9.09005 27.63381 -0.002515 -0.002526 -0.004423
C 0.05534 9.29087 29.09855 0.010212 -0.003801 -0.000145
C 2.45865 9.01797 28.76199 0.009067 0.004642 0.00126
C 0.27826 12.72334 29.93928 0.006541 0.006937 -0.000271
C 4.18253 10.15959 27.77416 -0.005444 0.006957 0.001523
C 2.71191 10.14382 29.61599 0.008631 0.003996 -0.001085
C 7.90216 9.08999 25.64541 0.007816 -0.013425 -0.002312
C 7.0876 10.15963 25.5042 -0.003935 0.018459 0.001567
C 2.71188 12.97207 29.61582 0.004626 -0.00474 -0.001285
C 8.81137 9.01804 24.51774 -0.011882 -0.021563 0.001619
C 6.41114 10.77407 26.65633 -0.003491 -0.003759 -0.00011
C 1.63545 12.281 30.19887 0.019018 0.003609 -0.000934
C 3.80188 10.86915 28.99417 -0.001253 0.001452 -0.001543
C 3.098 8.43109 26.32687 0.009908 -0.005855 0.002135
C 1.64583 8.22195 26.11624 -0.00696 0.005806 -0.005971
C 7.81257 9.29876 28.13278 0.004325 -0.006212 0.000575
C 0.05532 13.82504 29.09842 0.010391 0.000577 -0.000955
C 8.1719 8.43099 26.95222 -0.006805 -0.003476 0.000793
C 1.16884 8.60218 28.50982 -0.001094 0.00378 -0.002911
C 0.80562 8.22185 27.16276 0.005729 0.003149 0.006724
C 1.16882 14.5137 28.50954 -0.000497 -0.003939 -0.000301
C 3.00635 11.5581 23.50348 -0.004119 -0.003183 -0.000548
C 7.03072 10.39945 27.97499 -0.008422 0.00521 -0.001217
C 3.40305 1.65905 25.146 0.002011 -0.016484 -0.004216
C 2.6211 2.75968 25.30313 -0.018926 0.010936 0.003923
C 6.58225 2.75274 29.93928 -0.004566 -0.004696 0.000112
C 2.86056 3.91825 24.49681 -0.02372 -0.002592 -0.006975
C 5.22505 3.1951 30.19888 -0.01744 -0.005306 -0.000812
C 2.00154 3.13429 26.62186 -0.000869 -0.002483 -0.004443
C 3.05869 4.60695 28.9942 0.000135 -0.001112 -0.001215
C 3.49273 1.45027 27.63361 0.003845 -0.002895 -0.00365
C 6.80519 1.65108 29.09842 -0.009854 -0.003127 -0.001594
C 4.40188 1.37818 28.76187 -0.010478 0.00463 3.5e-05
C 6.58228 5.08356 29.93941 -0.005665 0.004672 0.000399
C 2.67801 2.5198 27.77407 0.00454 0.006153 0.001577
C 4.14863 2.50404 29.61584 -0.004127 0.003127 -0.00106
C 7.77683 1.45021 25.64492 -0.013895 -0.01591 0.002435
C 8.5914 2.51985 25.50386 0.005736 0.021473 -0.002601
C 4.14865 5.33228 29.61602 -0.007662 -0.005486 -0.000886
C 6.86763 1.37825 24.51736 0.008497 -0.018275 -0.000806
C 0.4494 3.13428 26.65607 0.002338 -0.004552 0.003777
C 5.22509 4.64121 30.19897 -0.017623 0.00032 -0.000593
C 3.05865 3.22937 28.99407 0.001322 0.002442 -0.001598
C 3.76254 0.79131 26.32656 -0.008006 -0.004055 0.001762
C 5.21471 0.58217 26.11589 0.010451 0.008516 0.000762
C 7.86643 1.65898 28.13259 -0.005473 -0.005753 0.002354
C 6.80522 6.18525 29.09863 -0.009339 0.002345 -0.000979
C 7.50709 0.7912 26.95201 0.006584 -0.002721 -0.002332
C 5.69169 0.9624 28.50954 0.001582 0.005509 5.6e-05
C 6.05491 0.58207 27.16263 -0.009931 0.002257 -0.001552
C 5.69172 6.87391 28.50987 -1.6e-05 -0.002165 -0.00141
C 3.85419 3.91831 23.50354 -0.000331 0.000302 0.00145
C 8.64828 2.75966 27.97488 0.009264 0.006788 -0.003645
C 7.81254 13.8172 28.13263 0.005421 0.00456 0.000811
C 7.03076 12.71646 27.97492 -0.010091 -0.004487 -0.002036
C 2.17338 12.72353 23.34082 -0.006623 -0.012695 -0.001026
C 7.27018 11.55796 28.78116 0.0028 0.000273 0.002634
C 0.81619 12.28119 23.08723 0.017431 -0.053536 -0.000569
C 6.41115 12.34182 26.6562 -0.002386 0.007713 0.001782
C 7.46824 10.86924 24.28467 -0.030422 0.003747 -0.000164
C 7.90227 14.0259 25.64511 0.009612 0.016548 0.000251
C 2.39627 13.82518 24.1804 -0.003705 0.018777 -0.000692
C 8.81139 14.09805 24.51731 -0.014655 0.008425 -0.000533
C 2.17334 10.39271 23.34232 -0.018776 0.010248 -0.000954
C 7.08764 12.95631 25.50402 -0.001698 -0.018323 -0.001105
C 8.55819 12.97226 23.66389 -0.038254 0.025391 -7.5e-05
C 3.36782 14.02594 27.6336 -0.003416 0.001633 -0.002457
C 4.1825 12.95634 27.77408 -0.006259 -0.005403 -3.9e-05
C 8.55818 10.14391 23.66455 -0.025137 -0.00696 -9.9e-05
C 2.45864 14.09793 28.76182 0.007823 -0.002837 -0.000332
C 4.85899 12.34187 26.62184 0.001209 0.003196 -0.002086
C 0.81617 10.83505 23.08851 0.02071 0.033548 -0.00034
C 7.46828 12.24682 24.28438 -0.026468 0.000757 0.000358
C 8.17191 14.68497 26.95204 -0.006566 0.004254 -0.000347
C 0.80561 14.89416 27.16263 0.009424 -0.00344 -0.001845
C 3.45747 13.81722 25.14598 -0.000741 0.013281 -0.001676
C 2.39622 9.29108 24.18096 0.000331 -0.01936 0.000379
C 3.09801 14.68493 26.32659 0.007157 0.003766 -0.000433
C 1.28272 14.51378 24.769 0.008853 0.021331 -0.00097
C 1.64583 14.89407 26.11589 -0.01207 -0.008039 0.000461
C 1.28271 8.6024 24.76943 -0.002366 -0.021348 -4e-06
C 8.26375 11.55794 29.77539 -0.001602 0.000486 -0.000894
C 4.23937 12.71652 25.30324 0.015551 -0.005996 0.000233
168
energy=-1515.04649326 config_type=nep2xyz pbc="T T T" virial="-38.22029290733415 -0.1522621990884413 -0.015264064697349956 -0.1522621990884413 -43.504644825932694 0.018964444017919642 -0.015264064697349956 0.018964444017919642 -4.990802509088351" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98697 -0.014402 0.009761 0.004656
C 1.47141 0.89094 19.98753 -0.00198 -0.008547 0.004574
C 2.93782 0.89094 19.98637 0.010907 0.014918 0.003749
C 3.67602 2.16424 19.98152 0.00594 -0.008903 0.000797
C 0.73321 4.71084 19.98593 -0.006518 0.007516 0.003678
C 1.47141 3.43754 19.98657 0.015717 -0.002889 0.004314
C 2.93782 3.43754 19.98239 -0.009099 0.003715 0.001368
C 3.67602 4.71084 19.97795 0.014092 -0.011173 -0.00125
C 0.73321 7.25743 19.98812 -0.005437 0.00501 0.005567
C 1.47141 5.98413 19.98873 0.001933 -0.013384 0.006265
C 2.93782 5.98413 19.98617 0.002236 0.005038 0.004375
C 3.67602 7.25743 19.98758 -0.001801 -0.008203 0.005144
C 0.73321 9.80403 19.97311 0.001333 0.013829 -0.003563
C 1.47141 8.53073 19.98421 -0.004587 0.009821 0.002458
C 2.93782 8.53073 19.98657 0.006752 0.0128 0.003926
C 3.67602 9.80403 19.98262 -0.009131 -0.000715 0.001433
C 0.73321 12.35062 19.96258 -0.008677 0.020305 -0.008668
C 1.47141 11.07732 19.96151 0.004644 -0.020317 -0.009223
C 2.93782 11.07732 19.97052 -0.00548 0.007294 -0.005876
C 3.67602 12.35062 19.97615 0.006897 -0.007627 -0.002958
C 0.73321 14.89722 19.98297 0.011062 -0.015723 0.00134
C 1.47141 13.62392 19.96976 -0.008537 0.001307 -0.005554
C 2.93782 13.62392 19.97555 -0.000765 0.0176 -0.003241
C 3.67602 14.89722 19.98486 -0.015495 -0.021127 0.002869
C 5.14244 2.16424 19.97465 -0.00679 0.009496 -0.002497
C 5.88064 0.89094 19.98493 -0.0054 0.003747 0.003027
C 7.34705 0.89094 19.98665 0.012916 0.005326 0.003822
C 8.08525 2.16424 19.98151 -0.00398 0.009044 0.001313
C 5.14244 4.71084 19.96625 -0.005056 0.003201 -0.006772
C 5.88064 3.43754 19.96411 -0.005705 -0.004745 -0.007581
C 7.34705 3.43754 19.97008 0.014651 0.00165 -0.004682
C 8.08525 4.71084 19.97718 -0.005149 -0.014871 -0.002108
C 5.14244 7.25743 19.98403 0.007265 -0.007147 0.003202
C 5.88064 5.98413 19.97276 0.001909 -0.009231 -0.003346
C 7.34705 5.98413 19.9769 -0.002371 0.012884 -0.001611
C 8.08525 7.25743 19.98506 -0.010507 -0.019724 0.003715
C 5.14244 9.80403 19.98824 -0.005472 0.011777 0.005748
C 5.88064 8.53073 19.9883 -0.001668 -0.009302 0.00625
C 7.34705 8.53073 19.98658 0.015644 0.019715 0.004651
C 8.08525 9.80403 19.98152 0.006901 -0.018454 0.000558
C 5.14244 12.35062 19.98574 -0.014394 0.006844 0.003708
C 5.88064 11.07732 19.98797 0.001182 -0.004468 0.004835
C 7.34705 11.07732 19.98376 0.005991 0.008196 0.001132
C 8.08525 12.35062 19.97669 0.012228 -0.006572 -0.002322
C 5.14244 14.89722 19.9884 0.003602 0.00828 0.005602
C 5.88064 13.62392 19.98888 0.002181 -0.010435 0.006151
C 7.34705 13.62392 19.98638 0.005659 -0.001624 0.003633
C 8.08525 14.89722 19.98748 -0.006939 0.001123 0.004073
C 8.10402 6.41498 28.13293 -0.004042 0.00372 0.0003
C 0.06734 5.31423 27.97497 0.008049 -0.004071 0.000404
C 4.92472 5.3213 23.3425 0.031377 -0.017993 -0.000213
C 8.64637 4.15573 28.78119 -0.001387 -0.00332 -0.000941
C 6.28191 4.87897 23.08847 -0.023999 -0.042229 -0.000251
C 0.68694 4.93959 26.65628 0.003541 0.007404 0.000789
C 8.44831 3.46702 24.2841 0.021872 -0.006872 -0.000288
C 8.01429 6.62367 25.64552 -0.006564 0.014907 0.00271
C 4.70183 6.42296 24.18097 -0.002018 0.019104 -0.00204
C 7.10516 6.69582 24.51799 0.011243 0.022503 -0.001331
C 4.92476 2.99048 23.34104 0.007435 0.010351 -0.00063
C 0.01045 5.55409 25.50423 0.002616 -0.016803 -0.001352
C 7.35837 5.57003 23.66475 0.02238 0.00242 0.000242
C 3.73028 6.62372 27.63381 0.002289 0.000201 0.001358
C 2.91559 5.55412 27.77426 0.005987 -0.004809 -0.002351
C 7.35838 2.74168 23.66372 0.039424 -0.023023 -9.9e-05
C 4.63946 6.69571 28.76209 -0.007855 -0.003327 -0.001404
C 2.23911 4.93965 26.62187 0.000133 0.00179 0.000703
C 6.28193 3.43282 23.0871 -0.01486 0.066556 -0.000466
C 8.44828 4.8446 24.28443 0.033117 0.00664 0.000588
C 7.74464 7.28275 26.95241 0.008302 0.004652 -0.002266
C 6.29248 7.49194 27.16295 -0.006861 -0.005834 0.003246
C 3.64062 6.41499 25.14645 -0.007015 0.015094 0.001524
C 4.70187 1.88885 24.18041 -0.001999 -0.018059 -0.002073
C 4.00009 7.28271 26.32701 -0.009051 0.005814 -0.002143
C 5.81537 7.11156 24.76952 0.003504 0.017037 0.001539
C 5.45227 7.49185 26.11641 0.00598 -0.00495 -0.003568
C 5.81538 1.20018 24.76907 0.003277 -0.020714 0.000865
C 7.6528 4.15571 29.77539 0.000639 -0.001419 0.000482
C 2.85872 5.31429 25.30343 -0.011252 -0.00521 -0.003482
C 3.69504 9.53639 25.14656 0.007206 -0.0156 -0.000649
C 4.47699 10.63703 25.30353 0.011637 0.003016 -0.000918
C 0.51584 10.63009 29.93941 0.005538 -0.004584 -0.000111
C 4.23753 11.79559 24.49685 0.021565 -0.002641 -0.001098
C 1.87304 11.07245 30.19901 0.0166 -0.003331 -0.000513
C 5.09655 11.01164 26.62197 0.002197 -0.001337 0.000664
C 4.03941 12.48429 28.99414 -0.001651 -0.000483 -0.00092
C 3.60537 9.32761 27.6338 -0.003237 -0.001737 0.000754
C 0.2929 9.52843 29.09855 0.009248 -0.002428 0.000538
C 2.69621 9.25553 28.76208 0.008493 0.004031 -0.001032
C 0.51582 12.9609 29.9393 0.004505 0.006425 -0.000187
C 4.42009 10.39715 27.77429 -0.004997 0.005617 -0.002048
C 2.94947 10.38138 29.616 0.007546 0.004169 -0.000583
C 8.13972 9.32755 25.64528 0.012538 -0.017408 -0.002145
C 7.32516 10.39719 25.50411 -0.00731 0.021988 0.001683
C 2.94944 13.20963 29.6159 0.004271 -0.004006 -0.000725
C 0.23047 9.2556 24.51774 -0.008319 -0.026973 0.001144
C 6.6487 11.01163 26.65632 -0.00422 -0.003386 -0.001225
C 1.87301 12.51856 30.19896 0.018969 0.002898 -0.000761
C 4.03945 11.10671 28.9942 -0.001395 0.002447 -0.000271
C 3.33556 8.66865 26.32697 0.008056 -0.00589 -0.001567
C 1.88339 8.45952 26.11616 -0.009778 0.00548 0.005246
C 8.05013 9.53633 28.13277 0.003172 -0.005493 -0.000942
C 0.29288 14.0626 29.09842 0.009886 0.000626 5.1e-05
C 8.40946 8.66855 26.95219 -0.005391 -0.003166 0.003014
C 1.4064 8.83974 28.50977 -0.001471 0.004772 0.001172
C 1.04318 8.45941 27.16292 0.008311 0.001295 -0.005663
C 1.40638 14.75126 28.50962 -0.001523 -0.003517 -0.002446
C 3.24391 11.79566 23.50416 -0.002018 -0.004681 -0.000615
C 7.26828 10.63701 27.97493 -0.007259 0.005191 0.00161
C 3.64062 1.89661 25.14573 0.006186 -0.020933 0.001067
C 2.85866 2.99724 25.30304 -0.018883 0.019494 -0.003728
C 6.81981 2.9903 29.93928 -0.005762 -0.006057 -0.000427
C 3.09812 4.15581 24.49643 -0.023493 -0.004027 0.00254
C 5.46261 3.43266 30.19881 -0.017711 -0.007106 -0.000846
C 2.2391 3.37185 26.62169 -0.000303 -0.001839 0.000984
C 3.29625 4.84451 28.99421 0.000617 0.000477 -0.000561
C 3.73029 1.68783 27.6335 0.004946 -0.000894 0.000447
C 7.04276 1.88864 29.09838 -0.011211 -0.002348 2.9e-05
C 4.63945 1.61574 28.76183 -0.00903 0.003672 -0.001375
C 6.81984 5.32112 29.93951 -0.004982 0.006439 -8.7e-05
C 2.91557 2.75736 27.77408 0.004282 0.007567 -0.002291
C 4.38619 2.7416 29.6158 -0.004657 0.003834 -0.000978
C 8.01439 1.68777 25.64495 -0.010832 -0.012482 0.000417
C 0.0105 2.75741 25.50383 0.004133 0.017743 0.000562
C 4.38621 5.56984 29.61605 -0.008718 -0.005708 -0.00064
C 7.10519 1.61581 24.51725 0.008223 -0.014201 -0.000799
C 0.68696 3.37184 26.65616 0.002353 -0.004284 -0.0013
C 5.46265 4.87877 30.19897 -0.017357 0.001142 -0.000631
C 3.29621 3.46693 28.99404 0.000795 0.001521 -0.000732
C 4.0001 1.02887 26.32655 -0.008443 -0.003686 -0.002461
C 5.45227 0.81973 26.11591 0.008993 0.008307 -0.004319
C 8.10399 1.89654 28.13261 -0.0046 -0.005892 -0.00063
C 7.04278 6.42281 29.0987 -0.010372 0.001627 6.7e-05
C 7.74465 1.02876 26.95197 0.007013 -0.00278 -0.001113
C 5.92925 1.19996 28.50955 0.00142 0.004209 -0.001689
C 6.29247 0.81963 27.16253 -0.006847 0.002429 0.003275
C 5.92928 7.11147 28.50996 -0.000472 -0.00249 -0.000835
C 4.09175 4.15587 23.50287 -0.005179 -0.000775 -0.002269
C 0.06738 2.99722 27.97483 0.008381 0.006588 0.000921
C 8.0501 14.05476 28.13264 0.004642 0.004731 -0.000922
C 7.26832 12.95402 27.97485 -0.008972 -0.005685 0.00137
C 2.41094 12.96109 23.34142 -0.013182 -0.018258 -0.001017
C 7.50775 11.79552 28.78121 0.000645 4.2e-05 -0.001314
C 1.05375 12.51875 23.08802 0.026796 -0.05635 -0.000448
C 6.64871 12.57938 26.65622 -0.002531 0.008057 -0.001256
C 7.7058 11.1068 24.28471 -0.030718 0.006258 -6.6e-05
C 8.13983 14.26346 25.64508 0.011857 0.018327 -0.002019
C 2.63383 14.06274 24.18062 -0.003395 0.026798 -0.000177
C 0.23049 14.33561 24.51739 -0.015069 0.012777 0.000928
C 2.4109 10.63027 23.34274 -0.01626 0.010311 -0.000583
C 7.3252 13.19387 25.50392 -0.004208 -0.022352 0.001685
C 8.79575 13.20982 23.66395 -0.043923 0.02712 -0.000406
C 3.60538 14.26351 27.63367 -0.002727 0.002128 -0.001912
C 4.42006 13.1939 27.7742 -0.005171 -0.004586 -0.000657
C 8.79574 10.38147 23.66435 -0.033074 -0.010838 6.6e-05
C 2.6962 14.3355 28.76188 0.008522 -0.003215 -0.000429
C 5.09655 12.57943 26.62196 0.003086 0.003019 -0.000753
C 1.05373 11.07261 23.08904 0.028258 0.041408 -0.000318
C 7.70584 12.48439 24.28449 -0.030509 -0.000832 -0.000263
C 8.40947 14.92253 26.95203 -0.007859 0.004611 0.000316
C 1.04317 15.13172 27.16261 0.006823 -0.004146 0.006668
C 3.69503 14.05478 25.14626 0.006142 0.007246 -0.001541
C 2.63378 9.52864 24.18112 0.001599 -0.02173 -0.00015
C 3.33557 14.92249 26.3267 0.006493 0.004167 0.001259
C 1.52028 14.75135 24.76907 0.007876 0.022817 0.000572
C 1.88339 15.13163 26.11605 -0.009481 -0.0081 -0.007609
C 1.52027 8.83996 24.76951 -0.00731 -0.021464 -0.001768
C 8.50131 11.7955 29.77536 -0.000586 -2.3e-05 0.000644
C 4.47693 12.95408 25.30352 0.012012 0.002352 -0.000493
168
energy=-1515.04518839 config_type=nep2xyz pbc="T T T" virial="-38.25283942544916 -0.08035710092737125 -0.018081398952783694 -0.08035710092737125 -43.559982316681214 0.01997363837807501 -0.018081398952783694 0.01997363837807501 -4.954008964707687" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98695 -0.015756 0.006793 0.003733
C 1.47141 0.89094 19.98714 -0.001322 -0.007226 0.003361
C 2.93782 0.89094 19.98702 0.008084 0.007171 0.003523
C 3.67602 2.16424 19.98469 0.008007 -0.003345 0.002618
C 0.73321 4.71084 19.9851 -0.011891 0.004476 0.00261
C 1.47141 3.43754 19.98751 0.011626 0.000505 0.004175
C 2.93782 3.43754 19.98531 -0.006626 0.002917 0.003035
C 3.67602 4.71084 19.98049 0.015891 -0.006636 0.00064
C 0.73321 7.25743 19.98814 -0.009133 -6.8e-05 0.004371
C 1.47141 5.98413 19.98891 0.003935 -0.009487 0.005074
C 2.93782 5.98413 19.98727 -0.001808 0.001938 0.004361
C 3.67602 7.25743 19.9877 0.002257 -0.004209 0.004454
C 0.73321 9.80403 19.97527 0.004353 0.017638 -0.002067
C 1.47141 8.53073 19.98534 -0.002885 0.010493 0.002468
C 2.93782 8.53073 19.98682 0.006993 0.008179 0.003327
C 3.67602 9.80403 19.98195 -0.01031 0.007277 0.000856
C 0.73321 12.35062 19.96184 -0.013302 0.012978 -0.007207
C 1.47141 11.07732 19.96167 -0.006295 -0.02017 -0.007524
C 2.93782 11.07732 19.96845 0.001905 0.001784 -0.005463
C 3.67602 12.35062 19.97335 0.003906 -0.006385 -0.003732
C 0.73321 14.89722 19.98109 0.011138 -0.020367 0.000132
C 1.47141 13.62392 19.96673 -0.012796 0.00772 -0.005678
C 2.93782 13.62392 19.97194 0.001308 0.01499 -0.003995
C 3.67602 14.89722 19.98373 -0.015218 -0.019098 0.001791
C 5.14244 2.16424 19.97799 -0.005413 0.01175 -0.000194
C 5.88064 0.89094 19.98639 -0.004239 0.00333 0.003497
C 7.34705 0.89094 19.98678 0.013698 0.004194 0.003334
C 8.08525 2.16424 19.98064 -0.004753 0.012057 0.000986
C 5.14244 4.71084 19.96765 -1.3e-05 -0.001672 -0.004622
C 5.88064 3.43754 19.96581 -0.007747 0.00386 -0.005155
C 7.34705 3.43754 19.96863 0.015685 -0.003336 -0.004024
C 8.08525 4.71084 19.97358 -0.000686 -0.007239 -0.002713
C 5.14244 7.25743 19.98289 0.00585 -0.009571 0.002415
C 5.88064 5.98413 19.97079 -0.000582 -0.006851 -0.003132
C 7.34705 5.98413 19.97313 0.004532 0.007957 -0.002509
C 8.08525 7.25743 19.98365 -0.009255 -0.018499 0.002243
C 5.14244 9.80403 19.98828 -0.005427 0.007443 0.004654
C 5.88064 8.53073 19.98813 -0.002889 -0.007302 0.004924
C 7.34705 8.53073 19.98709 0.014752 0.012848 0.003913
C 8.08525 9.80403 19.98394 0.006512 -0.013462 0.001514
C 5.14244 12.35062 19.98513 -0.012938 0.004371 0.002329
C 5.88064 11.07732 19.98852 0.001385 0.000767 0.004092
C 7.34705 11.07732 19.98568 0.002272 0.002908 0.002058
C 8.08525 12.35062 19.97849 0.021451 -0.003816 -0.001341
C 5.14244 14.89722 19.98873 0.001115 0.003565 0.004839
C 5.88064 13.62392 19.98925 0.000505 -0.00892 0.004788
C 7.34705 13.62392 19.98731 0.003065 0.000343 0.003074
C 8.08525 14.89722 19.98722 -0.001717 0.003529 0.002986
C 8.34158 6.65254 28.13279 -0.004834 0.004074 0.000763
C 0.3049 5.5518 27.97491 0.008209 -0.003878 -0.001542
C 5.16228 5.55886 23.34204 0.026549 -0.015551 -0.001385
C 0.06547 4.39329 28.7811 -0.002105 -0.002905 0.001775
C 6.51947 5.11653 23.08714 -0.022619 -0.042533 -0.000438
C 0.92451 5.17715 26.65617 0.0027 0.007195 0.000552
C 8.68588 3.70458 24.28388 0.017276 -0.01684 -8.2e-05
C 8.25185 6.86123 25.64542 -0.00661 0.013182 -0.000353
C 4.93939 6.66052 24.18074 -0.00158 0.015381 0.001501
C 7.34273 6.93338 24.51782 0.012119 0.016151 0.000438
C 5.16232 3.22804 23.34119 0.008029 0.008597 -0.001442
C 0.24801 5.79165 25.50405 0.002344 -0.015909 2.4e-05
C 7.59593 5.80759 23.66453 0.027607 0.001862 -0.000435
C 3.96784 6.86128 27.63385 0.001986 0.001575 -0.004013
C 3.15315 5.79168 27.77417 0.005887 -0.005681 0.00121
C 7.59594 2.97924 23.66384 0.037482 -0.0136 -0.000487
C 4.87702 6.93327 28.76199 -0.00731 -0.003276 0.000562
C 2.47667 5.17721 26.62186 -0.001031 0.001306 -0.003169
C 6.51949 3.67038 23.08633 -0.013775 0.059062 -0.000617
C 8.68584 5.08216 24.28409 0.025185 0.018583 -0.000168
C 7.9822 7.52031 26.95229 0.008274 0.004666 -0.001363
C 6.53004 7.7295 27.16282 -0.004906 -0.005871 0.007831
C 3.87818 6.65255 25.14642 -0.001982 0.014548 -0.003659
C 4.93943 2.12641 24.1804 -0.002955 -0.012886 0.001211
C 4.23765 7.52027 26.3269 -0.009508 0.00583 0.003755
C 6.05293 7.34912 24.76946 0.001064 0.014646 0.000356
C 5.68983 7.72941 26.11638 0.003488 -0.005537 -0.008389
C 6.05294 1.43774 24.7692 0.006266 -0.017285 -0.000741
C 7.89036 4.39327 29.77536 0.002504 -0.001119 -0.000858
C 3.09628 5.55185 25.30328 -0.013943 -0.006693 0.002823
C 3.9326 9.77396 25.14664 0.007972 -0.013447 9.2e-05
C 4.71455 10.87459 25.30367 0.011238 0.001103 -0.000379
C 0.7534 10.86765 29.9394 0.004413 -0.004035 9.8e-05
C 4.47509 12.03315 24.49705 0.019904 -0.003478 -0.000355
C 2.1106 11.31001 30.19903 0.015907 -0.003206 -0.000271
C 5.33411 11.2492 26.62208 0.00242 -0.000485 -0.001453
C 4.27697 12.72185 28.99422 -0.001693 -0.000578 -0.000668
C 3.84293 9.56518 27.6339 -0.002693 -0.002523 -0.00072
C 0.53046 9.76599 29.09857 0.008673 -0.002059 -0.00023
C 2.93377 9.49309 28.76213 0.008638 0.0041 -9e-06
C 0.75338 13.19846 29.93938 0.003094 0.005847 5.4e-05
C 4.65765 10.63471 27.77436 -0.004567 0.005816 0.000517
C 3.18703 10.61894 29.61608 0.005525 0.003234 -0.000559
C 8.37728 9.56511 25.64512 0.014512 -0.018973 0.001953
C 7.56272 10.63475 25.50398 -0.00724 0.023702 -0.001481
C 3.187 13.44719 29.61601 0.005208 -0.004027 -0.000572
C 0.46803 9.49316 24.51778 -0.006791 -0.025746 -0.000906
C 6.88626 11.24919 26.65621 -0.00278 -0.004038 0.001758
C 2.11057 12.75612 30.199 0.018181 0.002202 -0.000395
C 4.27701 11.34427 28.9943 -0.001302 0.001893 -0.000745
C 3.57312 8.90621 26.32704 0.009232 -0.006423 -0.001282
C 2.12095 8.69708 26.11625 -0.009161 0.005968 0.002651
C 8.28769 9.77389 28.13275 0.003905 -0.004704 0.000991
C 0.53044 14.30016 29.09855 0.00917 0.001761 -0.000591
C 8.64702 8.90611 26.9522 -0.006357 -0.002303 -0.000858
C 1.64396 9.0773 28.5098 -0.002296 0.004084 0.000499
C 1.28074 8.69697 27.16293 0.006284 0.000569 -0.002598
C 1.64394 14.98882 28.50975 -0.000813 -0.003173 -0.000506
C 3.48147 12.03322 23.50449 0.00159 -0.004424 -0.000769
C 7.50584 10.87457 27.97493 -0.007675 0.005576 -0.001283
C 3.87818 2.13417 25.14586 0.007393 -0.021415 -0.003564
C 3.09622 3.2348 25.30294 -0.01868 0.019769 0.002503
C 7.05737 3.22786 29.93931 -0.004296 -0.005047 -0.000122
C 3.33568 4.39337 24.49647 -0.014552 -0.004059 -0.005559
C 5.70017 3.67022 30.19884 -0.017522 -0.006931 -0.000742
C 2.47666 3.60941 26.62171 -0.000403 -0.001114 -0.002402
C 3.53381 5.08207 28.99417 0.000526 0.000237 -0.001278
C 3.96785 1.92539 27.63353 0.004284 -0.001305 -0.002695
C 7.28032 2.1262 29.09842 -0.01022 -0.002964 -0.001042
C 4.87701 1.8533 28.76179 -0.007895 0.003348 -0.000207
C 7.0574 5.55868 29.93941 -0.004347 0.005035 5.3e-05
C 3.15313 2.99492 27.77403 0.005046 0.007658 0.000148
C 4.62375 2.97916 29.61581 -0.005901 0.003763 -0.000829
C 8.25196 1.92533 25.64502 -0.00958 -0.011371 -0.000318
C 0.24806 2.99497 25.50382 0.002314 0.015687 -0.000492
C 4.62377 5.80741 29.61599 -0.008106 -0.005673 -0.000692
C 7.34275 1.85337 24.51733 0.007212 -0.012927 7e-05
C 0.92452 3.6094 26.65608 0.002867 -0.004022 0.000659
C 5.70021 5.11633 30.1989 -0.01708 0.002971 -0.000665
C 3.53377 3.70449 28.99404 0.001607 0.000896 -0.001027
C 4.23766 1.26643 26.32654 -0.008747 -0.005504 0.001935
C 5.68983 1.05729 26.11599 0.007771 0.007341 -0.003882
C 8.34155 2.1341 28.1326 -0.004174 -0.004848 0.000616
C 7.28034 6.66037 29.0986 -0.00935 0.001482 -0.000788
C 7.98221 1.26632 26.95202 0.005806 -0.003535 -0.000888
C 6.16681 1.43752 28.50961 0.001025 0.003587 -0.001263
C 6.53003 1.05719 27.1626 -0.006737 0.002051 0.002728
C 6.16684 7.34903 28.50989 0.000777 -0.001508 -0.00251
C 4.32931 4.39343 23.50256 -0.014964 -0.001639 0.000861
C 0.30494 3.23479 27.97483 0.008739 0.006093 -0.00154
C 8.28766 14.29232 28.13273 0.005044 0.00426 0.001113
C 7.50588 13.19158 27.97492 -0.008574 -0.00538 -0.001301
C 2.6485 13.19865 23.34216 -0.016798 -0.019222 -0.000432
C 7.74531 12.03308 28.78116 0.002059 -0.001639 0.001764
C 1.29131 12.75631 23.08828 0.033209 -0.054909 -0.000369
C 6.88627 12.81694 26.6562 -0.00137 0.007563 0.001383
C 7.94336 11.34436 24.28453 -0.027355 0.000745 0.000557
C 8.37739 14.50102 25.64515 0.014623 0.02089 0.002594
C 2.87139 14.3003 24.18092 -0.001917 0.026497 -0.000948
C 0.46805 14.57317 24.5177 -0.013334 0.016075 -0.00139
C 2.64846 10.86783 23.34289 -0.013263 0.011355 -0.000273
C 7.56276 13.43143 25.50397 -0.005455 -0.024592 -0.001545
C 0.21485 13.44738 23.66406 -0.047055 0.023392 0.000134
C 3.84294 14.50107 27.63383 -0.002029 0.002676 -0.000801
C 4.65762 13.43146 27.7743 -0.00444 -0.004849 -0.000121
C 0.21484 10.61903 23.66416 -0.042785 -0.014603 0.000276
C 2.93376 14.57306 28.76202 0.008496 -0.002994 -0.000308
C 5.33411 12.81699 26.62207 0.003441 0.002821 -0.000802
C 1.29129 11.31017 23.08874 0.030984 0.048621 -0.000329
C 7.9434 12.72195 24.28444 -0.029125 0.004977 0.000471
C 8.64703 15.1601 26.9522 -0.008329 0.003792 -0.002233
C 1.28073 0.08971 27.16285 0.007654 -0.00392 0.001539
C 3.93259 14.29234 25.14656 0.010021 0.006144 -0.000145
C 2.87134 9.7662 24.18121 0.002973 -0.021808 -0.000921
C 3.57313 15.16005 26.32692 0.006701 0.005137 -0.000679
C 1.75785 14.98891 24.76934 0.001802 0.021084 0.000628
C 2.12095 0.08962 26.11621 -0.009089 -0.006556 -0.002014
C 1.75783 9.07752 24.76959 -0.010813 -0.021653 -0.000414
C 8.73887 12.03306 29.77539 -0.001864 -0.001135 -0.00037
C 4.71449 13.19164 25.30373 0.010246 0.005724 -0.000592
168
energy=-1515.04373985 config_type=nep2xyz pbc="T T T" virial="-38.30645287583241 -0.013792322922123377 -0.02258072380847638 -0.013792322922123377 -43.59677586106188 0.015264064697349956 -0.02258072380847638 0.015264064697349956 -4.915911877611822" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98655 -0.013588 0.002811 0.004326
C 1.47141 0.89094 19.9862 -0.002628 -0.005284 0.003745
C 2.93782 0.89094 19.98673 0.005427 0.000312 0.004528
C 3.67602 2.16424 19.98646 0.007765 0.000227 0.004713
C 0.73321 4.71084 19.98364 -0.019187 0.001369 0.001944
C 1.47141 3.43754 19.98754 0.007387 0.002065 0.005271
C 2.93782 3.43754 19.98694 -0.004755 0.003124 0.005078
C 3.67602 4.71084 19.98224 0.014926 -0.000565 0.001448
C 0.73321 7.25743 19.98696 -0.011744 -0.002223 0.004713
C 1.47141 5.98413 19.98791 0.00564 -0.003715 0.005502
C 2.93782 5.98413 19.98733 -0.003772 -0.002633 0.00542
C 3.67602 7.25743 19.987 0.006176 -0.001097 0.005262
C 0.73321 9.80403 19.97809 0.007184 0.019862 -0.001587
C 1.47141 8.53073 19.98584 -0.00293 0.008203 0.00346
C 2.93782 8.53073 19.98658 0.005371 0.003518 0.004423
C 3.67602 9.80403 19.98173 -0.0088 0.013229 0.001014
C 0.73321 12.35062 19.96394 -0.014559 0.002864 -0.009112
C 1.47141 11.07732 19.96469 -0.013473 -0.014711 -0.009017
C 2.93782 11.07732 19.96894 0.004362 -0.00275 -0.007283
C 3.67602 12.35062 19.97222 -0.000578 -0.001681 -0.005991
C 0.73321 14.89722 19.97941 0.008947 -0.021449 -0.000852
C 1.47141 13.62392 19.96596 -0.014698 0.011533 -0.008495
C 2.93782 13.62392 19.96992 0.003558 0.006464 -0.006814
C 3.67602 14.89722 19.98229 -0.010955 -0.015828 0.001433
C 5.14244 2.16424 19.98049 -0.00013 0.012597 0.00088
C 5.88064 0.89094 19.98669 -0.002993 0.004355 0.004837
C 7.34705 0.89094 19.98632 0.011069 0.001647 0.004043
C 8.08525 2.16424 19.98032 -0.006164 0.015915 0.000493
C 5.14244 4.71084 19.96972 0.00411 -0.00109 -0.006192
C 5.88064 3.43754 19.96826 -0.006033 0.005482 -0.006606
C 7.34705 3.43754 19.96849 0.014516 -0.007135 -0.006413
C 8.08525 4.71084 19.97042 0.005768 -0.000684 -0.005862
C 5.14244 7.25743 19.9815 0.003079 -0.012844 0.001627
C 5.88064 5.98413 19.96946 -0.004146 -0.004684 -0.006075
C 7.34705 5.98413 19.96971 0.012463 0.00663 -0.005964
C 8.08525 7.25743 19.98131 -0.007705 -0.017928 0.001069
C 5.14244 9.80403 19.98767 -0.005494 0.002722 0.00557
C 5.88064 8.53073 19.98705 -0.002723 -0.003675 0.005275
C 7.34705 8.53073 19.98651 0.011223 0.003506 0.004368
C 8.08525 9.80403 19.98556 0.007024 -0.006397 0.003033
C 5.14244 12.35062 19.98427 -0.012234 0.001308 0.002662
C 5.88064 11.07732 19.98823 0.001949 0.00515 0.005605
C 7.34705 11.07732 19.98683 -0.001337 -0.000704 0.003734
C 8.08525 12.35062 19.9804 0.027006 0.0 -0.000958
C 5.14244 14.89722 19.98787 -0.003763 -0.000692 0.005785
C 5.88064 13.62392 19.98845 0.001393 -0.006494 0.00605
C 7.34705 13.62392 19.98722 -0.00064 0.000806 0.004061
C 8.08525 14.89722 19.98622 0.005044 0.0046 0.003366
C 8.57914 6.8901 28.13279 -0.00524 0.003768 0.00167
C 0.54246 5.78936 27.97496 0.00877 -0.004513 -0.002858
C 5.39984 5.79642 23.34201 0.018254 -0.012692 -0.00166
C 0.30303 4.63086 28.78113 -0.003102 -0.002196 0.003356
C 6.75703 5.35409 23.08662 -0.023533 -0.050009 -0.000421
C 1.16207 5.41471 26.65616 0.002362 0.006912 0.002661
C 0.10498 3.94214 24.28389 0.016631 -0.021736 8e-05
C 8.48941 7.09879 25.64536 -0.008448 0.013471 0.000773
C 5.17695 6.89808 24.18079 -0.002992 0.012107 0.00239
C 7.58029 7.17094 24.5178 0.010108 0.013785 0.000224
C 5.39988 3.4656 23.34188 0.013229 0.010966 -0.00175
C 0.48557 6.02921 25.50399 0.002077 -0.016938 -0.001435
C 7.83349 6.04515 23.66427 0.037369 0.005871 -0.000257
C 4.2054 7.09884 27.63386 0.00254 0.001955 -0.004119
C 3.39071 6.02924 27.77422 0.005197 -0.005735 0.001585
C 7.8335 3.2168 23.6641 0.039107 -0.008486 -0.000343
C 5.11458 7.17083 28.76201 -0.007392 -0.00327 0.000486
C 2.71423 5.41477 26.62196 -0.001997 0.001846 -0.004483
C 6.75705 3.90794 23.08647 -0.02171 0.050716 -0.000424
C 0.10494 5.31972 24.28395 0.019209 0.024322 0.000534
C 8.21976 7.75787 26.9523 0.007692 0.004153 -0.001428
C 6.7676 7.96706 27.16295 -0.006528 -0.004656 0.00191
C 4.11575 6.89011 25.14647 -0.00029 0.01452 -0.005214
C 5.17699 2.36397 24.18071 -0.004069 -0.013471 0.002528
C 4.47521 7.75783 26.32692 -0.008677 0.00605 0.003391
C 6.29049 7.58668 24.76956 0.006385 0.014164 -0.001553
C 5.92739 7.96697 26.11635 0.00606 -0.005021 -0.002057
C 6.2905 1.6753 24.76946 0.00791 -0.015099 -0.001287
C 8.12792 4.63083 29.77541 0.002723 -0.001315 -0.001151
C 3.33384 5.78941 25.30334 -0.014815 -0.007376 0.004905
C 4.17016 10.01152 25.14663 0.007043 -0.011459 -0.000318
C 4.95211 11.11215 25.30376 0.010664 0.001869 0.000198
C 0.99096 11.10521 29.9394 0.003532 -0.003731 0.000166
C 4.71265 12.27072 24.49718 0.014353 -0.001463 -0.001856
C 2.34816 11.54757 30.19905 0.015706 -0.00485 -0.000398
C 5.57167 11.48676 26.62217 0.001829 -0.000852 -0.000976
C 4.51453 12.95941 28.99441 -0.000149 9.4e-05 -0.001102
C 4.08049 9.80274 27.63393 -0.003459 -0.002492 -0.000498
C 0.76802 10.00355 29.09854 0.008221 -0.002384 -0.000604
C 3.17133 9.73065 28.76214 0.007755 0.0032 -0.000238
C 0.99094 13.43602 29.93941 0.003819 0.005572 0.00024
C 4.89521 10.87227 27.77447 -0.003793 0.006543 -8.9e-05
C 3.42459 10.8565 29.61613 0.005883 0.002338 -0.000691
C 8.61484 9.80267 25.64502 0.014581 -0.017754 0.00259
C 7.80028 10.87231 25.50384 -0.005761 0.02329 -0.001472
C 3.42456 13.68475 29.61618 0.005951 -0.003879 -0.000745
C 0.70559 9.73072 24.51767 -0.00756 -0.020551 -0.001088
C 7.12382 11.48675 26.65613 -0.001706 -0.003639 0.001681
C 2.34813 12.99368 30.19907 0.015549 0.002177 -0.000393
C 4.51457 11.58183 28.99439 -0.001189 0.001316 -0.00072
C 3.81068 9.14377 26.32705 0.007815 -0.006735 -0.001869
C 2.35851 8.93464 26.11621 -0.009334 0.00532 0.004258
C 8.52525 10.01145 28.13268 0.00405 -0.004813 0.001671
C 0.768 14.53772 29.0986 0.007889 0.00091 -0.000864
C 0.06612 9.14367 26.95214 -0.006703 -0.003203 -0.001239
C 1.88152 9.31486 28.5098 -0.000203 0.003891 0.000858
C 1.5183 8.93453 27.16292 0.007457 0.001244 -0.003829
C 1.8815 15.22638 28.50988 -0.000711 -0.002969 -0.00038
C 3.71903 12.27078 23.50436 0.009505 -0.001364 -0.000211
C 7.7434 11.11213 27.97486 -0.007468 0.0062 -0.002073
C 4.11574 2.37173 25.1463 0.002687 -0.018155 -0.005224
C 3.33378 3.47236 25.30321 -0.01649 0.012318 0.004741
C 7.29493 3.46542 29.93938 -0.004172 -0.004301 0.000107
C 3.57324 4.63093 24.49671 -0.010438 -0.002035 -0.008517
C 5.93773 3.90779 30.19894 -0.016938 -0.005916 -0.00073
C 2.71422 3.84697 26.62191 -0.000673 -0.000142 -0.00384
C 3.77137 5.31963 28.99421 0.000795 0.000306 -0.001421
C 4.20541 2.16295 27.63378 0.003096 -0.001445 -0.004176
C 7.51788 2.36376 29.09853 -0.008933 -0.001862 -0.000901
C 5.11457 2.09086 28.76197 -0.007436 0.003549 0.000522
C 7.29496 5.79624 29.93945 -0.002704 0.004857 0.000108
C 3.39069 3.23249 27.7742 0.005233 0.006648 0.001448
C 4.86131 3.21672 29.61599 -0.006184 0.004575 -0.000911
C 8.48952 2.16289 25.64517 -0.009618 -0.011254 -0.000669
C 0.48562 3.23253 25.50385 0.002983 0.017383 7.5e-05
C 4.86133 6.04497 29.61603 -0.007181 -0.0055 -0.000917
C 7.58031 2.09093 24.51762 0.008137 -0.013323 0.000833
C 1.16208 3.84696 26.65613 0.002771 -0.003821 0.000963
C 5.93777 5.3539 30.19897 -0.018499 0.003597 -0.00071
C 3.77133 3.94205 28.9942 0.000781 0.001188 -0.001404
C 4.47522 1.50399 26.3268 -0.009528 -0.006492 0.003544
C 5.92739 1.29485 26.11621 0.005057 0.006083 -0.004359
C 8.57911 2.37166 28.13268 -0.004842 -0.005177 0.001169
C 7.5179 6.89793 29.09863 -0.008778 0.001848 -0.001008
C 8.21977 1.50388 26.95213 0.007325 -0.004267 -0.00053
C 6.40437 1.67508 28.5098 0.00255 0.002637 -0.001849
C 6.76759 1.29475 27.16276 -0.004215 0.002058 0.004079
C 6.4044 7.58659 28.50991 0.000464 -0.001748 -0.001121
C 4.56687 4.63099 23.50293 -0.01855 -0.00165 0.001869
C 0.5425 3.47235 27.97489 0.008043 0.005729 -0.002208
C 8.52522 14.52988 28.13273 0.005346 0.003141 0.002333
C 7.74344 13.42914 27.97488 -0.007462 -0.00445 -0.00292
C 2.88606 13.43621 23.34258 -0.016903 -0.016036 -0.00054
C 7.98287 12.27064 28.78107 0.002814 -0.002147 0.003345
C 1.52887 12.99387 23.08783 0.033025 -0.052828 -0.000291
C 7.12383 13.0545 26.6561 -0.001057 0.007468 0.003846
C 8.18092 11.58192 24.2842 -0.023927 -0.011562 0.000665
C 8.61495 14.73858 25.64513 0.014198 0.020636 0.004466
C 3.10895 14.53786 24.18111 0.000896 0.019901 -0.000565
C 0.70561 14.81073 24.5178 -0.009167 0.018911 -0.001812
C 2.88602 11.10539 23.34267 -0.015041 0.014349 -0.000415
C 7.80032 13.66899 25.5039 -0.006181 -0.023803 -0.003236
C 0.45241 13.68494 23.66408 -0.047245 0.015076 0.000369
C 4.0805 14.73863 27.63405 -0.001538 0.002945 -0.002033
C 4.89518 13.66902 27.77447 -0.004665 -0.004924 0.001318
C 0.4524 10.85659 23.66399 -0.046723 -0.014958 0.000357
C 3.17132 14.81062 28.7622 0.007968 -0.002956 0.000317
C 5.57167 13.05455 26.62223 0.002951 0.002375 -0.003051
C 1.52885 11.54773 23.08785 0.03123 0.052127 -0.0003
C 8.18096 12.95951 24.28422 -0.025293 0.012705 0.001116
C 0.06613 0.11808 26.95225 -0.008109 0.003304 -0.003432
C 1.51829 0.32727 27.16297 0.006556 -0.003415 0.000988
C 4.17015 14.5299 25.14675 0.008412 0.007896 -0.000833
C 3.1089 10.00376 24.18111 0.002248 -0.021103 -0.000686
C 3.81069 0.11804 26.32712 0.008228 0.005998 -0.000124
C 1.99541 15.22647 24.76957 -0.004482 0.018832 0.000373
C 2.35851 0.32718 26.11637 -0.007122 -0.006062 -0.000919
C 1.99539 9.31508 24.76954 -0.009377 -0.019015 -0.000973
C 0.15797 12.27062 29.77536 -0.002079 -0.000915 -0.00084
C 4.95205 13.4292 25.30387 0.011004 0.002862 0.000938
168
energy=-1515.04318712 config_type=nep2xyz pbc="T T T" virial="-38.335887711336945 0.005760817805886898 -0.00454137462069916 0.005760817805886898 -43.59635536341182 0.017787050597738382 -0.00454137462069916 0.017787050597738382 -4.901068310564537" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98676 -0.008804 -0.000255 0.003963
C 1.47141 0.89094 19.98577 -0.005779 -0.005435 0.003374
C 2.93782 0.89094 19.98648 0.003343 -0.002434 0.004393
C 3.67602 2.16424 19.98762 0.005056 0.000197 0.005619
C 0.73321 4.71084 19.98218 -0.025418 0.001159 0.000474
C 1.47141 3.43754 19.98776 0.003121 0.00114 0.005004
C 2.93782 3.43754 19.98808 -0.002444 0.00531 0.005858
C 3.67602 4.71084 19.98336 0.012612 0.002114 0.002029
C 0.73321 7.25743 19.98568 -0.012499 0.000854 0.003421
C 1.47141 5.98413 19.98709 0.005613 0.000253 0.004216
C 2.93782 5.98413 19.98756 -0.003776 -0.004733 0.005187
C 3.67602 7.25743 19.98687 0.008575 -0.001454 0.004939
C 0.73321 9.80403 19.98056 0.008124 0.019719 1e-06
C 1.47141 8.53073 19.98631 -0.005637 0.002098 0.003878
C 2.93782 8.53073 19.98691 0.003304 0.002404 0.004906
C 3.67602 9.80403 19.98227 -0.007422 0.014672 0.001797
C 0.73321 12.35062 19.96649 -0.012306 -0.001646 -0.007978
C 1.47141 11.07732 19.96794 -0.013813 -0.008299 -0.007251
C 2.93782 11.07732 19.97011 0.002768 -0.003496 -0.006182
C 3.67602 12.35062 19.97131 -0.00382 0.00417 -0.006131
C 0.73321 14.89722 19.97823 0.005763 -0.01825 -0.00118
C 1.47141 13.62392 19.96556 -0.015329 0.011506 -0.008482
C 2.93782 13.62392 19.96807 0.005971 -0.003086 -0.00727
C 3.67602 14.89722 19.98085 -0.003464 -0.014083 0.000636
C 5.14244 2.16424 19.9822 0.006586 0.014219 0.00178
C 5.88064 0.89094 19.98696 -0.003041 0.002995 0.004985
C 7.34705 0.89094 19.98634 0.006562 0.000995 0.003988
C 8.08525 2.16424 19.98075 -0.00791 0.019559 0.00019
C 5.14244 4.71084 19.97105 0.004178 0.004038 -0.006102
C 5.88064 3.43754 19.97007 -0.002839 -0.002098 -0.006054
C 7.34705 3.43754 19.96835 0.013405 -0.007919 -0.006913
C 8.08525 4.71084 19.9672 0.011351 -0.000801 -0.007607
C 5.14244 7.25743 19.9807 0.002306 -0.014113 0.000629
C 5.88064 5.98413 19.96799 -0.006342 -0.003782 -0.007241
C 7.34705 5.98413 19.96598 0.015487 0.010518 -0.008171
C 8.08525 7.25743 19.9785 -0.005728 -0.017802 -0.000964
C 5.14244 9.80403 19.9877 -0.004812 5.5e-05 0.005702
C 5.88064 8.53073 19.98649 -0.003134 -0.002346 0.00444
C 7.34705 8.53073 19.98584 0.006622 -0.004826 0.003429
C 8.08525 9.80403 19.9867 0.007979 -0.000886 0.003841
C 5.14244 12.35062 19.98358 -0.012366 0.001703 0.00215
C 5.88064 11.07732 19.98819 0.002125 0.005848 0.005895
C 7.34705 11.07732 19.98769 -0.002673 0.000496 0.004863
C 8.08525 12.35062 19.98184 0.026289 0.001443 0.00019
C 5.14244 14.89722 19.98702 -0.008331 -0.00187 0.005126
C 5.88064 13.62392 19.98771 0.003379 -0.004823 0.005288
C 7.34705 13.62392 19.98701 -0.00493 0.000502 0.004062
C 8.08525 14.89722 19.98556 0.011689 0.002033 0.003218
C 8.8167 7.12766 28.13273 -0.00554 0.003398 0.003039
C 0.78002 6.02692 27.97497 0.00999 -0.004421 -0.004186
C 5.6374 6.03398 23.34216 0.012588 -0.009174 -0.00122
C 0.54059 4.86842 28.78115 -0.003223 -0.001406 0.004053
C 6.99459 5.59165 23.08701 -0.024487 -0.056675 -0.000357
C 1.39963 5.65227 26.65615 0.00268 0.006603 0.00569
C 0.34254 4.1797 24.28409 0.021338 -0.019823 -0.000125
C 8.72697 7.33635 25.6452 -0.009411 0.016773 0.005112
C 5.41451 7.13564 24.1809 -0.003923 0.012108 0.001335
C 7.81785 7.4085 24.51778 0.006786 0.017688 -0.001666
C 5.63744 3.70316 23.34223 0.019861 0.015889 -0.001253
C 0.72313 6.26677 25.50401 0.003671 -0.019452 -0.004528
C 8.07105 6.28271 23.66412 0.043363 0.009206 0.000135
C 4.44296 7.3364 27.6339 0.002656 0.002069 -0.003427
C 3.62827 6.2668 27.77431 0.005355 -0.005437 0.001962
C 8.07106 3.45436 23.66426 0.039766 -0.009564 -0.000104
C 5.35214 7.40839 28.76206 -0.008495 -0.003164 0.000613
C 2.95179 5.65233 26.6221 -0.002272 0.001541 -0.004784
C 6.99461 4.1455 23.08712 -0.029579 0.046909 -0.000339
C 0.3425 5.55728 24.28409 0.019274 0.018506 0.001505
C 8.45732 7.99543 26.9523 0.007414 0.002872 -0.004526
C 7.00516 8.20462 27.16297 -0.006272 -0.003617 0.000826
C 4.35331 7.12767 25.14651 -0.000965 0.01301 -0.003649
C 5.41455 2.60153 24.18091 -0.002304 -0.019603 0.001898
C 4.71277 7.99539 26.32698 -0.00845 0.006297 0.001526
C 6.52805 7.82424 24.76959 0.009439 0.016473 -0.00132
C 6.16495 8.20453 26.11632 0.008145 -0.005139 6.6e-05
C 6.52806 1.91286 24.7695 0.003338 -0.014748 -0.002132
C 8.36548 4.86839 29.77543 0.002291 -0.001048 -0.001125
C 3.5714 6.02697 25.30351 -0.01507 -0.006502 0.003969
C 4.40772 10.24908 25.14663 0.00527 -0.011036 -0.002706
C 5.18967 11.34971 25.30365 0.012692 0.00322 0.002315
C 1.22852 11.34277 29.93942 0.004355 -0.004276 0.000282
C 4.95021 12.50828 24.49699 0.010638 0.000929 -0.005093
C 2.58572 11.78513 30.19899 0.016112 -0.005432 -0.000492
C 5.80923 11.72432 26.62214 0.001579 -0.000223 -0.001709
C 4.75209 13.19697 28.99438 3.6e-05 0.001192 -0.001052
C 4.31805 10.0403 27.63394 -0.003561 -0.002909 -0.00243
C 1.00558 10.24111 29.09859 0.009541 -0.002491 -0.000457
C 3.40889 9.96821 28.76213 0.007514 0.00302 0.000385
C 1.2285 13.67358 29.93943 0.006318 0.005604 0.000171
C 5.13277 11.10983 27.77443 -0.003876 0.007152 0.000421
C 3.66215 11.09406 29.61612 0.005926 0.004402 -0.00067
C 0.03394 10.04023 25.64523 0.012012 -0.01434 -0.001039
C 8.03784 11.10987 25.50391 -0.004899 0.021534 0.001013
C 3.66212 13.92231 29.61614 0.006526 -0.004466 -0.000811
C 0.94315 9.96828 24.51773 -0.011326 -0.014964 0.000985
C 7.36138 11.72431 26.65622 -0.001482 -0.003668 -8.8e-05
C 2.58569 13.23124 30.199 0.016518 0.001463 -0.000456
C 4.75213 11.81939 28.99437 -0.000253 0.001513 -0.000869
C 4.04824 9.38133 26.327 0.009132 -0.006308 0.001304
C 2.59607 9.1722 26.1163 -0.006935 0.004927 -0.001933
C 8.76281 10.24901 28.13278 0.005157 -0.005838 0.000919
C 1.00556 14.77528 29.09863 0.008834 0.001576 -0.000782
C 0.30368 9.38123 26.95217 -0.008873 -0.004249 0.000626
C 2.11908 9.55242 28.50987 -0.000632 0.003833 -0.001294
C 1.75587 9.17209 27.16285 0.005319 0.002754 0.002468
C 2.11906 0.18437 28.5099 -0.00014 -0.00279 -0.00024
C 3.95659 12.50834 23.50371 0.016914 0.00147 0.000928
C 7.98096 11.34969 27.97492 -0.007716 0.006163 -0.001468
C 4.3533 2.60929 25.14659 -0.00373 -0.012407 -0.004041
C 3.57135 3.70992 25.30352 -0.013427 0.004387 0.003722
C 7.53249 3.70298 29.93942 -0.005251 -0.004326 0.000138
C 3.8108 4.86849 24.49691 -0.009029 0.000796 -0.006761
C 6.17529 4.14535 30.19903 -0.016359 -0.005065 -0.000603
C 2.95178 4.08453 26.62207 -0.002022 -0.000659 -0.002855
C 4.00893 5.55719 28.9943 0.000976 -3.1e-05 -0.001377
C 4.44297 2.40051 27.63391 0.00266 -0.00277 -0.004431
C 7.75544 2.60132 29.09855 -0.008667 -0.002484 -0.000404
C 5.35213 2.32843 28.76207 -0.006909 0.004021 0.001233
C 7.53252 6.0338 29.93946 -0.004285 0.005169 0.000173
C 3.62825 3.47005 27.77432 0.004612 0.006958 0.001546
C 5.09887 3.45428 29.61609 -0.007702 0.005023 -0.000904
C 8.72708 2.40045 25.64523 -0.011809 -0.014053 -0.001103
C 0.72318 3.47009 25.50391 0.005259 0.020687 0.001095
C 5.09889 6.28253 29.61608 -0.006365 -0.004523 -0.000932
C 7.81787 2.3285 24.51772 0.011206 -0.014105 0.001095
C 1.39964 4.08453 26.65621 0.002613 -0.003333 -0.000293
C 6.17533 5.59146 30.19904 -0.01842 0.004091 -0.000649
C 4.00889 4.17961 28.9943 0.00103 0.001184 -0.001216
C 4.71278 1.74155 26.32693 -0.008975 -0.005616 0.002831
C 6.16495 1.53241 26.11622 0.006907 0.004884 0.00052
C 8.81667 2.60922 28.1327 -0.004767 -0.004961 0.001107
C 7.75546 7.13549 29.09862 -0.008406 0.000697 -0.001134
C 8.45734 1.74144 26.95215 0.007186 -0.004895 0.000369
C 6.64194 1.91264 28.50985 0.001101 0.003717 -0.001147
C 7.00515 1.53231 27.16284 -0.005427 0.002284 0.000274
C 6.64196 7.82415 28.50989 0.001521 -0.002806 -0.000763
C 4.80443 4.86856 23.50352 -0.01915 0.000487 0.001457
C 0.78006 3.70991 27.97492 0.007178 0.005516 -0.00183
C 8.76278 14.76744 28.13277 0.005164 0.003402 0.002204
C 7.981 13.6667 27.97493 -0.007647 -0.003906 -0.00305
C 3.12362 13.67377 23.34228 -0.012229 -0.010601 -0.001026
C 8.22043 12.5082 28.78112 0.003468 -0.002092 0.003442
C 1.76643 13.23143 23.08717 0.024984 -0.05507 -0.000308
C 7.36139 13.29206 26.65617 -0.00247 0.007253 0.004016
C 8.41848 11.81948 24.28415 -0.022459 -0.019326 1e-06
C 0.03405 14.97614 25.64523 0.012069 0.017135 0.002674
C 3.34651 14.77542 24.18096 0.003288 0.012867 0.000971
C 0.94317 15.04829 24.51776 -0.006357 0.019032 -0.000597
C 3.12358 11.34295 23.34231 -0.021041 0.015407 -0.001041
C 8.03789 13.90655 25.50398 -0.005428 -0.020295 -0.00272
C 0.68997 13.9225 23.66412 -0.044206 0.009527 0.000122
C 4.31806 14.97619 27.63395 -0.002579 0.00163 -0.00174
C 5.13274 13.90659 27.7744 -0.005566 -0.004823 0.001145
C 0.68996 11.09415 23.66426 -0.042328 -0.010777 -6.4e-05
C 3.40888 15.04818 28.76215 0.007755 -0.002545 0.000124
C 5.80923 13.29211 26.62216 0.001413 0.002241 -0.003673
C 1.76641 11.78529 23.08727 0.029817 0.047396 -0.000281
C 8.41852 13.19707 24.28413 -0.018587 0.0174 0.001101
C 0.30369 0.35564 26.95227 -0.007424 0.002591 -0.002274
C 1.75585 0.56483 27.16299 0.007868 -0.003357 -0.001278
C 4.40771 14.76746 25.14654 0.001769 0.013203 -0.002535
C 3.34647 10.24132 24.18098 0.001014 -0.021116 0.001126
C 4.04825 0.3556 26.32703 0.008793 0.006167 -0.000111
C 2.23297 0.18446 24.76961 -0.0101 0.016669 -0.001771
C 2.59607 0.56474 26.11633 -0.007978 -0.005867 0.002246
C 2.23296 9.55264 24.76952 -0.004125 -0.015597 -0.001
C 0.39554 12.50818 29.7754 -0.001426 -0.001584 -0.000877
C 5.18962 13.66676 25.30362 0.014746 -0.005726 0.002892
168
energy=-1515.04379006 config_type=nep2xyz pbc="T T T" virial="-38.3141479828286 -0.040451873936227706 0.014423069397220482 -0.040451873936227706 -43.57381668936834 0.012026232791851482 0.014423069397220482 0.012026232791851482 -4.916836972441964" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98713 -0.002628 -0.001562 0.003965
C 1.47141 0.89094 19.98555 -0.009196 -0.007241 0.00322
C 2.93782 0.89094 19.98588 0.002811 -0.001118 0.003984
C 3.67602 2.16424 19.98821 0.000621 -0.003217 0.006176
C 0.73321 4.71084 19.98056 -0.02608 0.003831 -0.000719
C 1.47141 3.43754 19.98769 -0.000962 8.1e-05 0.004764
C 2.93782 3.43754 19.98868 7e-06 0.008366 0.006398
C 3.67602 4.71084 19.98427 0.010802 0.000158 0.00279
C 0.73321 7.25743 19.98399 -0.011452 0.007387 0.002019
C 1.47141 5.98413 19.986 0.002681 0.000339 0.003048
C 2.93782 5.98413 19.98769 -0.002627 -0.003086 0.005136
C 3.67602 7.25743 19.98704 0.008962 -0.004359 0.00525
C 0.73321 9.80403 19.98276 0.00817 0.018321 0.001603
C 1.47141 8.53073 19.98659 -0.010299 -0.006419 0.004473
C 2.93782 8.53073 19.98748 0.002713 0.004825 0.005833
C 3.67602 9.80403 19.98339 -0.007728 0.012739 0.003039
C 0.73321 12.35062 19.96992 -0.006906 0.002739 -0.006219
C 1.47141 11.07732 19.97182 -0.007855 -0.005351 -0.005054
C 2.93782 11.07732 19.97206 -0.000366 -0.000925 -0.004702
C 3.67602 12.35062 19.97055 -0.004038 0.007644 -0.006191
C 0.73321 14.89722 19.97788 0.00307 -0.013436 -0.00104
C 1.47141 13.62392 19.96597 -0.01649 0.007908 -0.007939
C 2.93782 13.62392 19.96646 0.009319 -0.006583 -0.007719
C 3.67602 14.89722 19.97882 0.00378 -0.013977 -0.00049
C 5.14244 2.16424 19.98359 0.011926 0.017333 0.002632
C 5.88064 0.89094 19.98697 -0.005244 -0.00221 0.004949
C 7.34705 0.89094 19.98664 0.003601 0.003134 0.004194
C 8.08525 2.16424 19.98182 -0.009747 0.019744 0.000473
C 5.14244 4.71084 19.97275 0.002034 0.009813 -0.00553
C 5.88064 3.43754 19.9724 -0.000194 -0.011746 -0.005189
C 7.34705 3.43754 19.96912 0.012774 -0.005062 -0.006806
C 8.08525 4.71084 19.96502 0.012754 -0.009006 -0.008758
C 5.14244 7.25743 19.9806 0.00457 -0.011245 0.000224
C 5.88064 5.98413 19.96758 -0.005538 -0.00512 -0.007901
C 7.34705 5.98413 19.96302 0.010516 0.016068 -0.009832
C 8.08525 7.25743 19.97555 -0.003077 -0.015799 -0.002901
C 5.14244 9.80403 19.98789 -0.002348 0.000214 0.005973
C 5.88064 8.53073 19.98612 -0.004444 -0.00463 0.003923
C 7.34705 8.53073 19.98488 0.004117 -0.009534 0.002596
C 8.08525 9.80403 19.98736 0.007708 0.000216 0.004623
C 5.14244 12.35062 19.98244 -0.01189 0.006205 0.001571
C 5.88064 11.07732 19.98791 0.001254 0.003342 0.006118
C 7.34705 11.07732 19.98818 -0.001573 0.005562 0.005686
C 8.08525 12.35062 19.98307 0.020431 -0.000366 0.001353
C 5.14244 14.89722 19.98545 -0.00968 0.000787 0.003971
C 5.88064 13.62392 19.98633 0.005375 -0.004399 0.004255
C 7.34705 13.62392 19.98658 -0.009199 0.000627 0.004131
C 8.08525 14.89722 19.98523 0.01643 -0.002303 0.003346
C 0.2358 7.36522 28.13285 -0.004672 0.0036 0.002462
C 1.01758 6.26448 27.97508 0.009886 -0.004652 -0.002783
C 5.87496 6.27154 23.34229 0.009419 -0.004692 -0.000528
C 0.77815 5.10598 28.78127 -0.00285 -0.001763 0.003009
C 7.23215 5.82921 23.08797 -0.024146 -0.056331 -0.000238
C 1.63719 5.88983 26.65632 0.002 0.006777 0.004605
C 0.5801 4.41726 24.28452 0.025388 -0.011502 -9.7e-05
C 0.14607 7.57391 25.64529 -0.010564 0.018546 0.004953
C 5.65207 7.3732 24.18103 -0.002378 0.013601 -0.000666
C 8.05541 7.64606 24.51783 0.007311 0.023467 -0.001738
C 5.875 3.94072 23.34198 0.023002 0.01761 -0.000626
C 0.96069 6.50433 25.5042 0.005618 -0.02022 -0.003637
C 8.30861 6.52027 23.66426 0.041158 0.010724 0.000376
C 4.68052 7.57396 27.6339 0.001439 0.002303 -0.002689
C 3.86583 6.50436 27.77429 0.005584 -0.005312 0.001279
C 8.30862 3.69193 23.66446 0.039988 -0.015903 0.000207
C 5.5897 7.64595 28.76209 -0.008345 -0.003524 0.000789
C 3.18935 5.88989 26.62207 -0.001259 0.002262 -0.002819
C 7.23217 4.38306 23.08792 -0.030521 0.046657 -0.00028
C 0.58006 5.79484 24.28453 0.021064 0.006741 0.001443
C 8.69488 8.23299 26.95238 0.006746 0.002713 -0.004392
C 7.24272 8.44218 27.16298 -0.006826 -0.002985 0.003463
C 4.59087 7.36523 25.1465 -0.002091 0.013828 -0.000686
C 5.65211 2.83909 24.18089 0.002124 -0.02765 -0.000517
C 4.95033 8.23295 26.32698 -0.009327 0.005783 0.000456
C 6.76561 8.0618 24.76961 0.010165 0.018666 0.00053
C 6.40251 8.44209 26.11637 0.008229 -0.005665 -0.002553
C 6.76562 2.15042 24.76935 -0.006178 -0.017266 -0.00036
C 8.60304 5.10595 29.77551 0.001611 -0.001038 -0.000652
C 3.80896 6.26453 25.30357 -0.014764 -0.004885 0.000394
C 4.64528 10.48664 25.14646 0.004304 -0.011709 -0.004296
C 5.42723 11.58727 25.30335 0.013541 0.004324 0.003494
C 1.46608 11.58033 29.93946 0.003566 -0.004024 0.000167
C 5.18777 12.74584 24.49662 0.009582 0.003196 -0.007297
C 2.82329 12.02269 30.19896 0.01713 -0.005364 -0.000659
C 6.04679 11.96188 26.62193 0.000714 -8.7e-05 -0.001964
C 4.98965 13.43453 28.99414 0.000304 -0.000487 -0.001503
C 4.55561 10.27786 27.63381 -0.00375 -0.002312 -0.003494
C 1.24314 10.47867 29.0986 0.010457 -0.002973 -0.000154
C 3.64645 10.20577 28.76202 0.008651 0.003697 0.000543
C 1.46606 13.91114 29.93945 0.005705 0.005505 7e-05
C 5.37033 11.34739 27.77423 -0.004879 0.006455 0.000554
C 3.89971 11.33162 29.61604 0.007577 0.004995 -0.000911
C 0.2715 10.27779 25.64546 0.00899 -0.011067 -0.005181
C 8.2754 11.34743 25.50406 -0.003331 0.018213 0.004091
C 3.89969 14.15987 29.61594 0.006025 -0.006025 -0.001063
C 1.18071 10.20584 24.5178 -0.015148 -0.014743 0.003151
C 7.59894 11.96187 26.65631 -0.002933 -0.003381 -0.002745
C 2.82325 13.4688 30.19893 0.018633 0.003201 -0.000739
C 4.98969 12.05695 28.99421 -0.001368 0.001358 -0.001164
C 4.2858 9.61889 26.32685 0.009132 -0.0059 0.00214
C 2.83363 9.40976 26.11618 -0.00642 0.003825 0.00179
C 0.18191 10.48657 28.13283 0.004799 -0.00657 0.000113
C 1.24312 15.01284 29.09861 0.010013 0.001827 -0.001144
C 0.54124 9.61879 26.95219 -0.008979 -0.005025 0.003694
C 2.35664 9.78998 28.50984 -0.00098 0.003782 -0.000842
C 1.99343 9.40965 27.16283 0.008456 0.00387 -0.001096
C 2.35662 0.42193 28.50979 -0.000277 -0.002789 -0.000777
C 4.19415 12.7459 23.50293 0.020595 0.002342 0.001511
C 8.21852 11.58725 27.97498 -0.007429 0.005861 -0.000498
C 4.59086 2.84685 25.14654 -0.007894 -0.007964 -0.000965
C 3.80891 3.94748 25.30363 -0.011286 -0.001022 2.6e-05
C 7.77006 3.94054 29.93946 -0.004579 -0.005812 0.000166
C 4.04836 5.10605 24.49686 -0.012862 0.002452 -0.001595
C 6.41285 4.38291 30.19902 -0.016588 -0.004782 -0.000512
C 3.18934 4.32209 26.62206 -0.002179 -0.00013 -0.001134
C 4.24649 5.79475 28.99426 0.000653 -0.000227 -0.001088
C 4.68053 2.63807 27.63385 0.002568 -0.002756 -0.002923
C 7.993 2.83888 29.09856 -0.010101 -0.00229 -0.000115
C 5.58969 2.56599 28.76202 -0.008971 0.00402 0.000707
C 7.77008 6.27136 29.93952 -0.005566 0.005012 0.000241
C 3.86581 3.70761 27.77431 0.005159 0.006585 0.000658
C 5.33643 3.69184 29.61605 -0.006757 0.004171 -0.000881
C 0.14618 2.63801 25.64528 -0.012862 -0.016402 -0.000978
C 0.96074 3.70765 25.50409 0.00481 0.021924 0.001453
C 5.33645 6.52009 29.61605 -0.00604 -0.004972 -0.000901
C 8.05543 2.56606 24.51773 0.017832 -0.01245 0.000594
C 1.6372 4.32209 26.65635 0.002183 -0.003384 -0.000682
C 6.41289 5.82902 30.19902 -0.018164 0.00307 -0.000439
C 4.24645 4.41717 28.99425 0.001394 0.001633 -0.001051
C 4.95034 1.97911 26.32689 -0.009298 -0.005452 0.000627
C 6.40251 1.76997 26.11616 0.008639 0.005364 -0.000917
C 0.23577 2.84678 28.13276 -0.00487 -0.006156 0.000464
C 7.99302 7.37306 29.09868 -0.009514 0.001142 -0.000526
C 8.6949 1.979 26.95215 0.008677 -0.005187 0.000986
C 6.8795 2.1502 28.50978 0.001413 0.004631 -0.000854
C 7.24271 1.76987 27.16279 -0.006956 0.002405 0.000847
C 6.87952 8.06171 28.50991 0.000957 -0.002965 -0.001366
C 5.04199 5.10612 23.50392 -0.012915 0.003338 -0.0005
C 1.01762 3.94747 27.97501 0.007279 0.00652 -0.000755
C 0.18188 15.005 28.13276 0.004965 0.003 0.002395
C 8.21856 13.90426 27.97498 -0.009963 -0.00403 -0.003645
C 3.36118 13.91133 23.34155 -0.007596 -0.005319 -0.001572
C 8.45799 12.74576 28.78119 0.002803 -0.001703 0.003323
C 2.00399 13.469 23.08694 0.016724 -0.064151 -0.000409
C 7.59895 13.52962 26.65616 -0.00271 0.006557 0.005364
C 8.65604 12.05704 24.28432 -0.024851 -0.017966 -0.000845
C 0.27161 15.2137 25.64521 0.009741 0.014849 0.002977
C 3.58407 15.01298 24.18062 0.004325 0.01144 0.001597
C 1.18073 0.00628 24.51762 -0.006456 0.018196 -0.000673
C 3.36114 11.58051 23.34206 -0.028844 0.017803 -0.001472
C 8.27545 14.14411 25.50404 -0.004278 -0.016758 -0.003555
C 0.92753 14.16006 23.66407 -0.038997 0.010385 -0.00012
C 4.55562 15.21375 27.63373 -0.003227 0.00182 -0.003162
C 5.37031 14.14415 27.77414 -0.006405 -0.005767 0.001509
C 0.92752 11.33171 23.66469 -0.031134 -0.005671 -0.000291
C 3.64644 0.00617 28.76197 0.009536 -0.002758 -5.5e-05
C 6.04679 13.52967 26.62191 0.000244 0.00243 -0.005086
C 2.00397 12.02285 23.08757 0.027287 0.044383 -0.000301
C 8.65608 13.43463 24.28415 -0.016768 0.014318 0.001321
C 0.54125 0.59321 26.95225 -0.007821 0.00292 -0.003065
C 1.99342 0.80239 27.16285 0.007781 -0.003105 0.000348
C 4.64527 15.00502 25.14613 -0.005933 0.018058 -0.004274
C 3.58403 10.47888 24.18078 0.00077 -0.024386 0.002447
C 4.28581 0.59316 26.32675 0.009412 0.005358 0.001431
C 2.47053 0.42202 24.76946 -0.009348 0.015956 -0.001887
C 2.83363 0.8023 26.11618 -0.008505 -0.006952 -9.6e-05
C 2.47052 9.79021 24.76947 0.000408 -0.012405 -0.003197
C 0.6331 12.74574 29.77547 -0.001809 -0.001604 -0.000993
C 5.42718 13.90432 25.30317 0.020128 -0.013793 0.00418
168
energy=-1515.04521286 config_type=nep2xyz pbc="T T T" virial="-38.26368826482083 -0.09654626045486364 0.01652555764754417 -0.09654626045486364 -43.526973251151134 0.028972288089460386 0.01652555764754417 0.028972288089460386 -4.942991926275991" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98755 0.003076 -0.001782 0.003901
C 1.47141 0.89094 19.98549 -0.010346 -0.007779 0.002859
C 2.93782 0.89094 19.98486 0.002842 0.000602 0.002889
C 3.67602 2.16424 19.98856 -0.00333 -0.007553 0.005968
C 0.73321 4.71084 19.9788 -0.020966 0.005904 -0.001447
C 1.47141 3.43754 19.98739 -0.004737 0.001242 0.004223
C 2.93782 3.43754 19.98914 0.000677 0.00994 0.00647
C 3.67602 4.71084 19.98535 0.010787 -0.002985 0.00344
C 0.73321 7.25743 19.98196 -0.010411 0.013082 0.000713
C 1.47141 5.98413 19.98471 -0.001799 -0.002792 0.00168
C 2.93782 5.98413 19.98792 -0.001437 0.000548 0.004697
C 3.67602 7.25743 19.98756 0.008757 -0.007335 0.005243
C 0.73321 9.80403 19.9846 0.008151 0.016893 0.002787
C 1.47141 8.53073 19.98672 -0.013985 -0.013804 0.004475
C 2.93782 8.53073 19.98829 0.00284 0.007378 0.006278
C 3.67602 9.80403 19.98478 -0.00864 0.009406 0.003732
C 0.73321 12.35062 19.97347 -0.001252 0.011616 -0.003917
C 1.47141 11.07732 19.97566 -0.000411 -0.006727 -0.002655
C 2.93782 11.07732 19.97402 -0.003438 0.002187 -0.003044
C 3.67602 12.35062 19.96917 -0.00049 0.006484 -0.005771
C 0.73321 14.89722 19.97835 0.001587 -0.010769 -0.00059
C 1.47141 13.62392 19.9667 -0.018131 0.00276 -0.006526
C 2.93782 13.62392 19.96436 0.010489 -0.002876 -0.007711
C 3.67602 14.89722 19.97589 0.008224 -0.012993 -0.001994
C 5.14244 2.16424 19.98498 0.013851 0.018826 0.003228
C 5.88064 0.89094 19.98688 -0.008527 -0.008958 0.004297
C 7.34705 0.89094 19.98725 0.003014 0.005485 0.004215
C 8.08525 2.16424 19.98328 -0.010408 0.017382 0.001253
C 5.14244 4.71084 19.97497 -0.000661 0.01124 -0.003573
C 5.88064 3.43754 19.97529 0.001416 -0.016187 -0.003186
C 7.34705 3.43754 19.97077 0.011236 4.1e-05 -0.005137
C 8.08525 4.71084 19.96396 0.010172 -0.017985 -0.008201
C 5.14244 7.25743 19.98107 0.006774 -0.005203 0.000471
C 5.88064 5.98413 19.96833 0.000162 -0.007527 -0.006715
C 7.34705 5.98413 19.96096 -0.001154 0.017947 -0.009713
C 8.08525 7.25743 19.97267 -0.000514 -0.010723 -0.003869
C 5.14244 9.80403 19.98817 0.000987 0.001924 0.005638
C 5.88064 8.53073 19.98592 -0.005361 -0.008248 0.003424
C 7.34705 8.53073 19.98369 0.004699 -0.010975 0.001765
C 8.08525 9.80403 19.98776 0.00533 -0.00275 0.004754
C 5.14244 12.35062 19.98054 -0.010074 0.010494 0.000366
C 5.88064 11.07732 19.98743 -0.001433 0.000699 0.005291
C 7.34705 11.07732 19.98855 0.000479 0.010108 0.00567
C 8.08525 12.35062 19.98425 0.013783 -0.003111 0.002343
C 5.14244 14.89722 19.98309 -0.007702 0.004479 0.001984
C 5.88064 13.62392 19.98424 0.007627 -0.004469 0.002424
C 7.34705 13.62392 19.98616 -0.013351 0.001479 0.003639
C 8.08525 14.89722 19.98541 0.017767 -0.005751 0.003377
C 0.47336 7.60278 28.13287 -0.004251 0.003708 -0.000535
C 1.25514 6.50204 27.97499 0.008057 -0.004125 0.001499
C 6.11252 6.5091 23.3421 0.01112 -0.002179 -0.000815
C 1.01571 5.34354 28.78125 -0.000858 -0.00185 -0.000116
C 7.46971 6.06677 23.08857 -0.021709 -0.048287 -0.000345
C 1.87475 6.12739 26.65638 0.002868 0.006676 -0.002996
C 0.81766 4.65482 24.28471 0.027861 -0.002592 0.000834
C 0.38363 7.81147 25.64541 -0.009546 0.017546 -0.002091
C 5.88963 7.61076 24.18092 0.000149 0.015775 1.7e-05
C 8.29297 7.88362 24.51773 0.009688 0.025716 0.001103
C 6.11256 4.17829 23.34123 0.017223 0.014886 -0.000708
C 1.19825 6.74189 25.50422 0.006953 -0.018752 0.002847
C 8.54617 6.75783 23.66447 0.033349 0.008448 -9.8e-05
C 4.91808 7.81152 27.63378 0.002262 0.001748 -0.000699
C 4.10339 6.74192 27.77424 0.006198 -0.004455 -0.001917
C 8.54618 3.92949 23.66441 0.037755 -0.023034 1.9e-05
C 5.82726 7.88351 28.76203 -0.009772 -0.003381 -0.000563
C 3.42691 6.12745 26.62191 -0.001295 0.002313 0.001158
C 7.46973 4.62062 23.08804 -0.026616 0.046171 -0.000414
C 0.81762 6.0324 24.28484 0.025405 -0.003861 -0.000559
C 0.11398 8.47055 26.95229 0.007393 0.002748 0.001469
C 7.48028 8.67974 27.16287 -0.008545 -0.003312 0.002595
C 4.82843 7.6028 25.14641 -0.003141 0.014473 -0.001122
C 5.88967 3.07665 24.18063 0.006496 -0.030232 -0.00048
C 5.18789 8.47051 26.32689 -0.008847 0.005475 0.000426
C 7.00317 8.29936 24.76945 0.004918 0.020599 -5.7e-05
C 6.64007 8.67965 26.11625 0.009407 -0.006185 -0.00312
C 7.00318 2.38798 24.76909 -0.013292 -0.019653 -0.000747
C 0.02214 5.34351 29.77542 0.000538 -0.001501 0.000301
C 4.04652 6.5021 25.30347 -0.014929 -0.003041 -0.000953
C 4.88284 10.7242 25.1464 0.005831 -0.013926 0.000939
C 5.66479 11.82483 25.30331 0.012054 0.006412 -0.002446
C 1.70364 11.81789 29.93952 0.005937 -0.004826 0.000191
C 5.42533 12.9834 24.49634 0.017984 0.004031 0.001615
C 3.06085 12.26025 30.19895 0.017281 -0.004445 -0.000575
C 6.28435 12.19944 26.62183 0.000478 0.000365 -0.000418
C 5.22721 13.67209 28.99399 -0.001028 -0.001125 -0.00046
C 4.79317 10.51542 27.63372 -0.002632 -0.000496 0.001025
C 1.4807 10.71623 29.09866 0.011117 -0.003539 -0.000266
C 3.88401 10.44333 28.76202 0.009592 0.004283 -0.001327
C 1.70362 14.1487 29.9394 0.005782 0.006198 -0.00027
C 5.60789 11.58495 27.77419 -0.005845 0.005485 -0.00178
C 4.13727 11.56918 29.61598 0.008916 0.004952 -0.000508
C 0.50906 10.51535 25.64548 0.007082 -0.013562 0.0045
C 8.51296 11.58499 25.50435 -0.00307 0.017258 -0.002624
C 4.13725 14.39743 29.61581 0.005289 -0.005674 -0.000816
C 1.41827 10.4434 24.51799 -0.016635 -0.019302 -0.001701
C 7.8365 12.19943 26.65636 -0.0038 -0.003272 0.002804
C 3.06081 13.70636 30.19884 0.019495 0.004072 -0.000797
C 5.22725 12.29451 28.99413 -0.001681 0.001844 -0.000524
C 4.52336 9.85645 26.3269 0.010137 -0.005854 -0.001064
C 3.07119 9.64732 26.11636 -0.004928 0.005125 -0.009684
C 0.41947 10.72413 28.13288 0.004468 -0.006116 0.001144
C 1.48068 15.2504 29.09852 0.011389 0.00087 0.000149
C 0.7788 9.85635 26.95236 -0.008492 -0.004543 -0.003967
C 2.5942 10.02754 28.50992 -0.002033 0.00274 -0.002103
C 2.23099 9.64721 27.16279 0.004791 0.004495 0.009609
C 2.59418 0.65949 28.50969 -0.000971 -0.003359 -0.00108
C 4.43171 12.98346 23.50271 0.015387 0.001733 -0.00182
C 8.45608 11.82481 27.97507 -0.008448 0.006116 -0.000408
C 4.82842 3.08441 25.14628 -0.006183 -0.007463 -0.00117
C 4.04647 4.18504 25.30345 -0.011764 -0.001315 -1.5e-05
C 8.00762 4.1781 29.93934 -0.005678 -0.005535 -0.000124
C 4.28593 5.34361 24.49664 -0.014993 0.002021 -0.00131
C 6.65041 4.62047 30.1989 -0.016987 -0.004506 -0.000623
C 3.42691 4.55965 26.62195 -0.00173 -0.000705 -0.00237
C 4.48405 6.03231 28.99416 0.000744 -0.001379 -0.000419
C 4.91809 2.87563 27.63371 0.004176 -0.002957 -0.001239
C 8.23056 3.07644 29.09845 -0.011177 -0.002992 -0.000191
C 5.82725 2.80355 28.76195 -0.009189 0.003254 -0.000519
C 8.00764 6.50892 29.93944 -0.005386 0.00574 4.4e-05
C 4.10337 3.94517 27.77419 0.00542 0.005687 6.2e-05
C 5.57399 3.9294 29.61593 -0.00518 0.003643 -0.000808
C 0.38374 2.87557 25.64515 -0.012852 -0.017346 0.001495
C 1.1983 3.94521 25.50416 0.002975 0.022071 -0.001864
C 5.57401 6.75765 29.61596 -0.007571 -0.005431 -0.000605
C 8.29299 2.80362 24.5175 0.019831 -0.008968 -0.000549
C 1.87476 4.55965 26.6563 0.002758 -0.003888 0.002656
C 6.65045 6.06658 30.19893 -0.018056 0.000875 -0.000593
C 4.48401 4.65473 28.99414 0.001866 0.001657 -0.001089
C 5.1879 2.21667 26.32673 -0.006729 -0.004332 -0.000217
C 6.64007 2.00753 26.11594 0.010029 0.006984 0.001172
C 0.47333 3.08434 28.1327 -0.005007 -0.006328 0.000489
C 8.23058 7.61062 29.09862 -0.010935 0.001438 0.000131
C 0.114 2.21657 26.95208 0.009295 -0.004789 -0.000935
C 7.11706 2.38776 28.50962 -0.000324 0.005355 0.00011
C 7.48027 2.00743 27.16265 -0.009484 0.002985 -0.001742
C 7.11708 8.29927 28.50981 0.000414 -0.003534 -0.001003
C 5.27955 5.34368 23.50385 -0.006203 0.004427 -0.000659
C 1.25518 4.18503 27.97497 0.007668 0.006188 -0.000558
C 0.41944 15.24256 28.13276 0.003703 0.004223 -0.000998
C 8.45612 14.14182 27.97496 -0.008272 -0.004779 0.00163
C 3.59874 14.14889 23.34116 -0.00821 -0.005903 -0.000626
C 8.69555 12.98332 28.78132 0.00132 0.000138 -0.000382
C 2.24155 13.70656 23.08759 0.015181 -0.074154 -0.00037
C 7.83651 13.76718 26.65633 -0.002539 0.007573 -0.003009
C 0.07514 12.2946 24.28461 -0.031799 -0.00952 0.001118
C 0.50917 0.17169 25.64525 0.00917 0.013787 -0.001471
C 3.82163 15.25054 24.18051 0.003939 0.014801 -0.001858
C 1.41829 0.24384 24.51753 -0.008413 0.020469 0.000251
C 3.5987 11.81807 23.34225 -0.034626 0.018875 -0.000367
C 8.51301 14.38167 25.50407 -0.005787 -0.015315 0.002322
C 1.16509 14.39762 23.66411 -0.037054 0.017142 -6.6e-05
C 4.79318 0.17174 27.63355 -0.004194 0.000628 0.001196
C 5.60787 14.38171 27.77404 -0.00565 -0.005835 -0.002963
C 1.16508 11.56927 23.66498 -0.021148 -0.004556 0.000271
C 3.884 0.24373 28.76187 0.009538 -0.002613 -0.001565
C 6.28435 13.76723 26.62169 -2.3e-05 0.003629 0.001958
C 2.24153 12.26041 23.08867 0.025762 0.045906 -0.000128
C 0.07518 13.67219 24.28438 -0.019246 0.006491 -0.000577
C 0.77882 0.83077 26.95215 -0.006367 0.002753 0.000925
C 2.23098 1.03995 27.16275 0.00843 -0.002817 0.001422
C 4.88283 15.24258 25.14585 -0.006438 0.019679 0.000964
C 3.82159 10.71644 24.1809 0.001718 -0.027391 -0.001532
C 4.52337 0.83073 26.32665 0.008906 0.004445 -0.002565
C 2.70809 0.65958 24.76929 -0.005505 0.01796 0.000277
C 3.07119 1.03986 26.11608 -0.009172 -0.007746 -0.002303
C 2.70808 10.02777 24.76945 0.00302 -0.015524 0.003041
C 0.87066 12.9833 29.7755 -0.000921 -7.7e-05 0.000443
C 5.66474 14.14188 25.30307 0.02047 -0.017774 -0.003316
168
energy=-1515.04665143 config_type=nep2xyz pbc="T T T" virial="-38.22168054957936 -0.11773934201812639 0.01656760741255064 -0.11773934201812639 -43.473359800767874 0.02073053414819154 0.01656760741255064 0.02073053414819154 -4.990339961673281" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98768 0.007252 -0.002279 0.004324
C 1.47141 0.89094 19.9853 -0.007953 -0.004607 0.002521
C 2.93782 0.89094 19.98313 0.002802 -0.001126 0.001677
C 3.67602 2.16424 19.98833 -0.004362 -0.010273 0.005924
C 0.73321 4.71084 19.97726 -0.013141 0.004308 -0.001761
C 1.47141 3.43754 19.98666 -0.007771 0.004782 0.004332
C 2.93782 3.43754 19.98917 -0.00103 0.008836 0.006815
C 3.67602 4.71084 19.98645 0.012343 -0.003505 0.004566
C 0.73321 7.25743 19.9797 -0.009553 0.014309 -0.000183
C 1.47141 5.98413 19.98323 -0.006045 -0.005397 0.000944
C 2.93782 5.98413 19.98794 -0.000947 0.00361 0.004978
C 3.67602 7.25743 19.98794 0.009077 -0.008908 0.005839
C 0.73321 9.80403 19.98597 0.008806 0.01607 0.003982
C 1.47141 8.53073 19.98646 -0.014725 -0.017498 0.004761
C 2.93782 8.53073 19.98877 0.001425 0.006864 0.006732
C 3.67602 9.80403 19.98592 -0.007704 0.007829 0.004558
C 0.73321 12.35062 19.9771 0.002514 0.01731 -0.002261
C 1.47141 11.07732 19.97936 0.003277 -0.009619 -0.000721
C 2.93782 11.07732 19.97596 -0.00352 0.00559 -0.002059
C 3.67602 12.35062 19.96767 0.003966 0.000612 -0.006545
C 0.73321 14.89722 19.97965 0.001583 -0.011043 -0.000197
C 1.47141 13.62392 19.96834 -0.017411 -0.001419 -0.005814
C 2.93782 13.62392 19.96241 0.006756 0.003752 -0.008792
C 3.67602 14.89722 19.97225 0.00807 -0.00866 -0.004085
C 5.14244 2.16424 19.98615 0.012329 0.017346 0.003883
C 5.88064 0.89094 19.98633 -0.011324 -0.013878 0.003825
C 7.34705 0.89094 19.98781 0.003816 0.005092 0.00487
C 8.08525 2.16424 19.98486 -0.008681 0.013201 0.002553
C 5.14244 4.71084 19.97789 -0.002645 0.007803 -0.001523
C 5.88064 3.43754 19.97877 0.001817 -0.012871 -0.001081
C 7.34705 3.43754 19.9736 0.008067 0.004991 -0.003524
C 8.08525 4.71084 19.96463 0.00583 -0.019936 -0.007629
C 5.14244 7.25743 19.98182 0.005789 0.001193 0.00115
C 5.88064 5.98413 19.97057 0.009975 -0.007952 -0.005519
C 7.34705 5.98413 19.96069 -0.012668 0.014069 -0.009313
C 8.08525 7.25743 19.97045 0.001191 -0.005004 -0.004701
C 5.14244 9.80403 19.98802 0.004071 0.002983 0.005493
C 5.88064 8.53073 19.98548 -0.004158 -0.009601 0.003329
C 7.34705 8.53073 19.9822 0.006079 -0.01008 0.001218
C 8.08525 9.80403 19.98772 0.002024 -0.007154 0.00504
C 5.14244 12.35062 19.97803 -0.007171 0.009653 -0.00138
C 5.88064 11.07732 19.98644 -0.005679 0.000916 0.004478
C 7.34705 11.07732 19.98857 0.001986 0.011107 0.005764
C 8.08525 12.35062 19.98536 0.009393 -0.004236 0.003052
C 5.14244 14.89722 19.97989 -0.004296 0.006957 -0.000307
C 5.88064 13.62392 19.98148 0.010643 -0.004199 0.000371
C 7.34705 13.62392 19.98564 -0.01725 0.002864 0.003306
C 8.08525 14.89722 19.98593 0.015131 -0.006892 0.003673
C 0.71092 7.84034 28.13291 -0.004265 0.005061 -1.8e-05
C 1.4927 6.7396 27.97509 0.008729 -0.002915 0.000569
C 6.35008 6.74666 23.34169 0.012432 -0.001693 -0.000802
C 1.25327 5.5811 28.7813 -0.001909 -0.003256 0.000284
C 7.70727 6.30433 23.08839 -0.017977 -0.036247 -0.000397
C 2.11231 6.36495 26.65647 0.004324 0.007628 -0.001229
C 1.05522 4.89238 24.28473 0.02768 0.002097 0.000666
C 0.62119 8.04904 25.64546 -0.008114 0.016908 -0.000324
C 6.12719 7.84832 24.18081 0.004241 0.014666 -0.000128
C 8.53053 8.12118 24.51769 0.011282 0.020493 0.000241
C 6.35012 4.41585 23.34058 0.01181 0.009253 -0.001062
C 1.43581 6.97945 25.50438 0.004317 -0.016832 0.00109
C 8.78373 6.99539 23.66465 0.025822 0.007712 3.8e-05
C 5.15564 8.04908 27.63379 0.002474 0.001 -0.001345
C 4.34095 6.97948 27.77421 0.007197 -0.004358 -0.001125
C 8.78374 4.16705 23.66427 0.034533 -0.023433 -0.000164
C 6.06482 8.12107 28.76204 -0.008561 -0.003304 -0.000423
C 3.66447 6.36501 26.62189 -4.6e-05 0.00272 -0.000203
C 7.70729 4.85819 23.08753 -0.018633 0.04192 -0.000469
C 1.05518 6.26996 24.28496 0.026893 -0.006432 -0.000157
C 0.35154 8.70811 26.95232 0.007447 0.003392 0.000461
C 7.71784 8.9173 27.16289 -0.009731 -0.003459 -0.000397
C 5.06599 7.84036 25.14635 -0.002269 0.015579 -0.001442
C 6.12723 3.31422 24.18039 0.009557 -0.025973 -0.00035
C 5.42545 8.70807 26.32686 -0.008629 0.004876 0.000538
C 7.24073 8.53692 24.76937 -0.001703 0.021008 -0.000556
C 6.87763 8.91721 26.11622 0.009388 -0.006401 -0.00024
C 7.24074 2.62554 24.76888 -0.01638 -0.022571 0.001648
C 0.2597 5.58108 29.77547 0.000866 -0.002242 0.000109
C 4.28408 6.73966 25.30337 -0.014458 -0.004726 -0.000374
C 5.1204 10.96176 25.14637 0.007159 -0.015631 0.001527
C 5.90235 12.06239 25.3033 0.012406 0.005737 -0.003039
C 1.9412 12.05545 29.93941 0.005908 -0.005191 -5e-05
C 5.6629 13.22096 24.49643 0.022891 0.002113 0.002004
C 3.29841 12.49781 30.19894 0.017599 -0.002732 -0.00058
C 6.52192 12.437 26.62178 0.000626 -0.000802 0.000638
C 5.46477 13.90966 28.99396 -0.001604 -0.001605 -0.000678
C 5.03073 10.75298 27.63368 -0.002952 -0.001034 0.00242
C 1.71826 10.95379 29.09856 0.009799 -0.00343 0.000205
C 4.12157 10.68089 28.76199 0.009384 0.004347 -0.001819
C 1.94118 14.38626 29.93933 0.00505 0.006857 -0.000381
C 5.84545 11.82251 27.77416 -0.004347 0.006733 -0.002684
C 4.37483 11.80675 29.61592 0.008449 0.003972 -0.000586
C 0.74662 10.75291 25.64537 0.009188 -0.016086 0.002244
C 8.75052 11.82255 25.50423 -0.005992 0.019304 -0.001411
C 4.37481 14.63499 29.61578 0.004501 -0.003859 -0.000907
C 1.65583 10.68096 24.5179 -0.013408 -0.02783 -0.00094
C 8.07406 12.43699 26.6563 -0.004553 -0.003282 0.00146
C 3.29837 13.94392 30.19887 0.019471 0.00359 -0.000883
C 5.46481 12.53208 28.99409 -0.002085 0.00217 -0.000322
C 4.76092 10.09401 26.3269 0.00876 -0.005029 -0.003384
C 3.30875 9.88488 26.11618 -0.007469 0.004809 -0.000585
C 0.65703 10.96169 28.13279 0.003767 -0.005431 7.8e-05
C 1.71824 0.20839 29.09844 0.010068 0.000555 0.000478
C 1.01636 10.09391 26.95226 -0.006954 -0.004385 -0.000955
C 2.83176 10.2651 28.50977 -0.000395 0.004126 0.000106
C 2.46855 9.88478 27.16281 0.007519 0.003764 0.000275
C 2.83174 0.89705 28.5096 -0.001879 -0.003469 -0.00098
C 4.66927 13.22102 23.50302 0.007875 -0.000728 -0.001956
C 8.69364 12.06237 27.97497 -0.007903 0.005823 0.000602
C 5.06598 3.32197 25.14601 -0.000649 -0.011454 -0.001865
C 4.28403 4.42261 25.30322 -0.014478 0.003336 0.000151
C 8.24518 4.41566 29.93931 -0.0057 -0.005931 -7.2e-05
C 4.52349 5.58117 24.49645 -0.017392 0.000764 -0.001981
C 6.88797 4.85803 30.19886 -0.017848 -0.005126 -0.000811
C 3.66447 4.79721 26.62183 -0.001756 -0.001571 -0.002228
C 4.72161 6.26987 28.99415 -0.000602 -0.000726 -0.000743
C 5.15565 3.11319 27.63357 0.004589 -0.002764 -0.002535
C 8.46812 3.314 29.09841 -0.01112 -0.002907 -0.000646
C 6.06481 3.04111 28.76181 -0.00835 0.003124 -0.000363
C 8.2452 6.74648 29.93949 -0.006297 0.006239 -1.6e-05
C 4.34093 4.18273 27.77409 0.005375 0.005858 -0.000104
C 5.81155 4.16696 29.61582 -0.004639 0.003926 -0.000886
C 0.6213 3.11313 25.64508 -0.010066 -0.015866 0.003004
C 1.43586 4.18277 25.5042 0.001606 0.020198 -0.002108
C 5.81157 6.99521 29.616 -0.007662 -0.004964 -0.000757
C 8.53055 3.04118 24.51726 0.018592 -0.005701 -0.001316
C 2.11232 4.79721 26.65632 0.004119 -0.003777 0.002169
C 6.88801 6.30414 30.19894 -0.018065 7.7e-05 -0.000642
C 4.72157 4.89229 28.99406 0.001528 0.001907 -0.001177
C 5.42546 2.45423 26.32654 -0.006746 -0.003103 0.001926
C 6.87763 2.24509 26.11591 0.008463 0.008238 -0.009581
C 0.71089 3.3219 28.13266 -0.005604 -0.007371 0.000956
C 8.46814 7.84818 29.09866 -0.01056 0.00208 7e-06
C 0.35156 2.45413 26.95205 0.008134 -0.004328 -0.003929
C 7.35462 2.62532 28.50954 0.001594 0.00488 -0.00256
C 7.71783 2.24499 27.16243 -0.007922 0.002692 0.008623
C 7.35464 8.53683 28.50982 -0.001534 -0.003767 -0.000205
C 5.51711 5.58124 23.5035 -0.000644 0.003461 -0.000548
C 1.49274 4.42259 27.975 0.009753 0.006049 -0.000824
C 0.657 0.20055 28.13269 0.004358 0.004996 -0.001697
C 8.69368 14.37938 27.97488 -0.009211 -0.00523 0.002392
C 3.8363 14.38645 23.34142 -0.013936 -0.013773 -0.000538
C 0.11465 13.22088 28.78125 0.00024 6.3e-05 -0.001441
C 2.47911 13.94412 23.08866 0.020107 -0.078791 -0.00037
C 8.07407 14.00474 26.65628 -0.002895 0.008178 -0.003376
C 0.3127 12.53216 24.28468 -0.036805 0.001089 0.000865
C 0.74673 0.40925 25.64519 0.011072 0.016439 -0.002746
C 4.05919 0.20853 24.18052 0.004526 0.024278 -0.001908
C 1.65585 0.4814 24.51748 -0.010303 0.024452 0.000743
C 3.83626 12.05563 23.3426 -0.033973 0.022076 -0.00022
C 8.75057 14.61924 25.504 -0.006758 -0.017612 0.002953
C 1.40265 14.63518 23.66407 -0.035799 0.023823 -7.5e-05
C 5.03074 0.4093 27.6335 -0.002823 0.000958 0.000974
C 5.84543 14.61927 27.77401 -0.005159 -0.005229 -0.002512
C 1.40264 11.80683 23.66479 -0.021048 -0.008919 0.000312
C 4.12156 0.48129 28.76181 0.010239 -0.00398 -0.001488
C 6.52191 14.00479 26.62169 0.001459 0.003624 0.001563
C 2.47909 12.49797 23.0897 0.029287 0.053575 -0.000182
C 0.31274 13.90975 24.28449 -0.027689 -0.00242 -0.000696
C 1.01638 1.06833 26.95207 -0.006367 0.00238 0.002379
C 2.46854 1.27751 27.1627 0.008832 -0.002924 0.00027
C 5.12039 0.20057 25.14588 -0.00258 0.016618 0.00109
C 4.05915 10.954 24.18095 0.004598 -0.031855 -0.001817
C 4.76093 1.06829 26.32662 0.007585 0.004106 -0.00298
C 2.94565 0.89714 24.76919 -0.003273 0.019885 -0.000111
C 3.30875 1.27742 26.116 -0.010581 -0.007523 -0.001324
C 2.94564 10.26533 24.76942 -0.002458 -0.017486 0.000863
C 1.10822 13.22086 29.77541 -0.000455 -0.00057 0.000752
C 5.9023 14.37944 25.30312 0.018514 -0.013458 -0.003516
168
energy=-1515.04757898 config_type=nep2xyz pbc="T T T" virial="-38.2004874680161 -0.06980260991074635 -0.00908274924139832 -0.06980260991074635 -43.45376461027486 0.01917469284295201 -0.00908274924139832 0.01917469284295201 -5.009052107101161" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98755 0.010455 -0.004907 0.004765
C 1.47141 0.89094 19.98489 -0.004014 0.002579 0.002271
C 2.93782 0.89094 19.98085 0.002763 -0.007152 0.000222
C 3.67602 2.16424 19.98769 -0.003166 -0.00997 0.005223
C 0.73321 4.71084 19.97612 -0.00591 -0.001312 -0.001782
C 1.47141 3.43754 19.9858 -0.010301 0.010051 0.00431
C 2.93782 3.43754 19.98899 -0.003895 0.005401 0.006934
C 3.67602 4.71084 19.98746 0.012662 0.000629 0.005616
C 0.73321 7.25743 19.97734 -0.006252 0.010354 -0.001086
C 1.47141 5.98413 19.98165 -0.008758 -0.003866 0.000243
C 2.93782 5.98413 19.98778 -0.001088 0.003479 0.005142
C 3.67602 7.25743 19.9881 0.010225 -0.007868 0.006075
C 0.73321 9.80403 19.98693 0.010601 0.013922 0.004551
C 1.47141 8.53073 19.9859 -0.013164 -0.016624 0.004547
C 2.93782 8.53073 19.98893 -0.001914 0.002289 0.006849
C 3.67602 9.80403 19.98669 -0.004488 0.008887 0.004597
C 0.73321 12.35062 19.98047 0.00428 0.016632 -0.0005
C 1.47141 11.07732 19.98255 0.001394 -0.01039 0.000936
C 2.93782 11.07732 19.97776 -6.6e-05 0.009306 -0.001304
C 3.67602 12.35062 19.9664 0.004611 -0.006339 -0.007291
C 0.73321 14.89722 19.9814 0.003483 -0.01218 0.000355
C 1.47141 13.62392 19.97071 -0.012053 -0.001424 -0.005029
C 2.93782 13.62392 19.96097 -0.000621 0.005192 -0.009529
C 3.67602 14.89722 19.96845 0.004331 6.9e-05 -0.006208
C 5.14244 2.16424 19.98692 0.009382 0.01121 0.004265
C 5.88064 0.89094 19.98541 -0.013292 -0.013714 0.003196
C 7.34705 0.89094 19.98821 0.004459 0.000857 0.005453
C 8.08525 2.16424 19.98626 -0.005613 0.010614 0.003901
C 5.14244 4.71084 19.9809 -0.003053 0.000978 0.000612
C 5.88064 3.43754 19.98212 0.001434 -0.004629 0.00112
C 7.34705 3.43754 19.97687 0.005387 0.007725 -0.001417
C 8.08525 4.71084 19.96624 0.001873 -0.011665 -0.006559
C 5.14244 7.25743 19.98244 0.001537 0.004346 0.001768
C 5.88064 5.98413 19.97323 0.01953 -0.004176 -0.003939
C 7.34705 5.98413 19.96155 -0.018057 0.00626 -0.008623
C 8.08525 7.25743 19.96867 0.000835 -0.000612 -0.005226
C 5.14244 9.80403 19.98755 0.006597 0.000988 0.004911
C 5.88064 8.53073 19.98473 -0.001265 -0.006402 0.002859
C 7.34705 8.53073 19.98037 0.005824 -0.008629 0.00056
C 8.08525 9.80403 19.98737 -0.001311 -0.009353 0.004858
C 5.14244 12.35062 19.97555 -0.003558 0.002372 -0.003059
C 5.88064 11.07732 19.98533 -0.011064 0.005385 0.003342
C 7.34705 11.07732 19.98845 0.002868 0.007754 0.0056
C 8.08525 12.35062 19.98646 0.007122 -0.001895 0.003768
C 5.14244 14.89722 19.97644 -0.001155 0.006662 -0.002639
C 5.88064 13.62392 19.97868 0.013426 -0.001775 -0.001662
C 7.34705 13.62392 19.98528 -0.019585 0.002751 0.002894
C 8.08525 14.89722 19.98667 0.009886 -0.004895 0.004146
C 0.94848 8.0779 28.13281 -0.003697 0.004422 -0.000295
C 1.73026 6.97716 27.97502 0.010121 -0.004339 0.000313
C 6.58764 6.98423 23.34117 0.011452 -0.002967 -0.000751
C 1.49083 5.81866 28.78126 -0.001354 -0.003259 -5e-05
C 7.94483 6.54189 23.08748 -0.0128 -0.031534 -0.000568
C 2.34987 6.60252 26.65637 0.003743 0.007943 -0.000914
C 1.29278 5.12994 24.28453 0.025084 -0.001173 0.000493
C 0.85875 8.2866 25.6454 -0.006337 0.015118 -0.000241
C 6.36475 8.08588 24.18057 0.00584 0.011731 -0.001037
C 8.76809 8.35875 24.51755 0.014997 0.012698 -0.000265
C 6.58768 4.65341 23.34056 0.007454 0.005356 -0.000974
C 1.67338 7.21701 25.50431 0.000955 -0.015227 0.000202
C 0.20283 7.23295 23.66451 0.025237 0.008395 -3e-06
C 5.3932 8.28664 27.63365 0.003107 0.000566 0.0002
C 4.57852 7.21704 27.77413 0.006551 -0.004887 -0.001836
C 0.20284 4.40461 23.66419 0.030039 -0.017715 -0.000222
C 6.30238 8.35863 28.76191 -0.008285 -0.003409 -0.001207
C 3.90203 6.60257 26.62175 -0.00058 0.003595 -2e-05
C 7.94485 5.09575 23.08694 -0.012075 0.03614 -0.000573
C 1.29274 6.50752 24.2847 0.027031 -0.000775 -0.000133
C 0.58911 8.94567 26.95222 0.006179 0.003914 0.001254
C 7.95541 9.15486 27.16283 -0.011939 -0.003526 -0.009385
C 5.30355 8.07792 25.14611 -0.000958 0.017158 -0.000513
C 6.3648 3.55178 24.18033 0.008116 -0.017613 -0.000983
C 5.66301 8.94563 26.32676 -0.007229 0.004538 -0.002711
C 7.47829 8.77448 24.7692 -0.006238 0.020665 -0.002645
C 7.11519 9.15477 26.11599 0.011363 -0.005458 0.008575
C 7.4783 2.8631 24.76889 -0.011132 -0.022616 0.000385
C 0.49726 5.81864 29.77545 0.001165 -0.001288 7e-06
C 4.52165 6.97722 25.30319 -0.013224 -0.0073 -0.00159
C 5.35796 11.19932 25.14644 0.007954 -0.015456 0.00048
C 6.13991 12.29995 25.30342 0.013305 0.004184 -0.002142
C 2.17877 12.29301 29.93935 0.004511 -0.004736 9.5e-05
C 5.90046 13.45852 24.49678 0.028538 -0.000444 0.001331
C 3.53597 12.73537 30.19899 0.016209 -0.00218 -0.000547
C 6.75948 12.67456 26.62186 0.001631 -0.001267 0.00033
C 5.70233 14.14722 28.99406 -0.002521 -0.001919 -0.000266
C 5.26829 10.99054 27.63373 -0.001928 -0.001734 0.000803
C 1.95582 11.19135 29.0985 0.009184 -0.002512 0.000244
C 4.35913 10.91845 28.76202 0.009316 0.004555 -0.001168
C 2.17874 14.62383 29.93931 0.005048 0.005528 -0.000146
C 6.08301 12.06007 27.77422 -0.004205 0.006051 -0.001939
C 4.61239 12.04431 29.61596 0.006436 0.003176 -0.000511
C 0.98418 10.99048 25.64519 0.012737 -0.017982 0.000531
C 0.16962 12.06012 25.504 -0.007738 0.021394 0.000236
C 4.61237 14.87255 29.61588 0.005032 -0.003371 -0.000692
C 1.89339 10.91852 24.5178 -0.009101 -0.032435 9.7e-05
C 8.31162 12.67455 26.65619 -0.003595 -0.004317 0.000371
C 3.53593 14.18148 30.19893 0.018224 0.001983 -0.000636
C 5.70237 12.76964 28.99414 -0.001344 0.002559 -0.000402
C 4.99848 10.33158 26.32688 0.008759 -0.005724 -0.000647
C 3.54631 10.12244 26.11623 -0.006724 0.006832 -0.00683
C 0.89459 11.19925 28.13273 0.003726 -0.005221 -0.00018
C 1.9558 0.44595 29.09847 0.008725 0.000864 0.000402
C 1.25392 10.33147 26.95216 -0.006566 -0.003213 -0.000774
C 3.06933 10.50267 28.50973 -0.00202 0.004239 -0.00152
C 2.70611 10.12234 27.16274 0.005498 0.003065 0.006273
C 3.0693 1.13461 28.50969 -0.00426 -0.003216 -0.000753
C 4.90683 13.45858 23.50376 -0.000389 -0.001054 -0.001427
C 0.11274 12.29993 27.97485 -0.007779 0.00612 0.001086
C 5.30354 3.55953 25.14587 0.001899 -0.016907 -0.001206
C 4.52159 4.66017 25.30305 -0.014407 0.00945 -0.000937
C 8.48274 4.65322 29.93933 -0.005817 -0.006101 -0.000304
C 4.76105 5.81873 24.49627 -0.020056 -0.001354 -0.000846
C 7.12554 5.09559 30.19884 -0.018398 -0.006002 -0.000925
C 3.90203 5.03478 26.62171 -0.001014 -0.000981 -0.001977
C 4.95917 6.50743 28.99412 0.000583 0.000466 -0.001015
C 5.39321 3.35075 27.63352 0.004843 -0.001803 -0.001828
C 8.70568 3.55156 29.09841 -0.011668 -0.002641 -0.000564
C 6.30237 3.27867 28.76178 -0.007202 0.002926 -0.000774
C 8.48276 6.98404 29.93939 -0.005511 0.006645 -0.000405
C 4.57849 4.42029 27.77404 0.006175 0.006374 -0.0004
C 6.04911 4.40452 29.61582 -0.00559 0.00367 -0.001044
C 0.85886 3.35069 25.64508 -0.007777 -0.014051 0.002628
C 1.67342 4.42033 25.50416 9.6e-05 0.016819 -0.002149
C 6.04914 7.23277 29.61593 -0.007154 -0.004416 -0.00109
C 8.76811 3.27874 24.51723 0.015547 -0.00497 -0.001385
C 2.34988 5.03477 26.65628 0.004657 -0.003694 0.001686
C 7.12557 6.5417 30.19889 -0.017857 0.001502 -0.000826
C 4.95913 5.12985 28.99405 0.001311 0.001085 -0.001349
C 5.66302 2.69179 26.32652 -0.007228 -0.00388 0.000283
C 7.11519 2.48265 26.11584 0.008885 0.007636 -0.004338
C 0.94845 3.55946 28.13264 -0.005266 -0.006942 0.000651
C 8.7057 8.08574 29.09854 -0.011147 0.002271 -4.2e-05
C 0.58912 2.69169 26.95204 0.007622 -0.00447 -0.003163
C 7.59218 2.86288 28.50952 0.00019 0.005518 -0.001468
C 7.95539 2.48255 27.16246 -0.008257 0.002878 0.003315
C 7.5922 8.7744 28.50969 -0.000916 -0.004398 0.001687
C 5.75467 5.8188 23.50305 0.002681 0.000553 -0.001224
C 1.7303 4.66015 27.97497 0.00932 0.005793 -0.000816
C 0.89456 0.43811 28.1327 0.004216 0.004475 -0.001376
C 0.11278 14.61694 27.97479 -0.007304 -0.004386 0.002363
C 4.07386 14.62401 23.34232 -0.020685 -0.022103 -0.000492
C 0.35221 13.45844 28.78112 0.001192 -0.001127 -0.001367
C 2.71667 14.18168 23.08965 0.029271 -0.075433 -0.000281
C 8.31163 14.2423 26.65618 -0.002746 0.00922 -0.003093
C 0.55026 12.76973 24.28463 -0.038978 0.006514 0.000477
C 0.98429 0.64681 25.64517 0.013094 0.018365 -0.003217
C 4.29675 0.44609 24.18085 0.005373 0.031199 -0.001227
C 1.89341 0.71896 24.51764 -0.009706 0.029552 0.001327
C 4.07382 12.29319 23.34296 -0.02845 0.023914 -0.000434
C 0.16967 14.8568 25.50389 -0.00939 -0.021099 0.003382
C 1.64021 14.87274 23.66405 -0.037817 0.025937 5.3e-05
C 5.2683 0.64686 27.63365 -0.002511 0.00168 0.001221
C 6.08299 14.85683 27.77414 -0.004482 -0.004447 -0.002799
C 1.6402 12.04439 23.66439 -0.030428 -0.017584 0.000113
C 4.35912 0.71885 28.76194 0.00983 -0.004289 -0.001395
C 6.75947 14.24236 26.62181 0.001833 0.003907 0.002023
C 2.71665 12.73553 23.0902 0.033699 0.06317 -0.000146
C 0.5503 14.14731 24.28451 -0.035887 -0.00742 -0.000664
C 1.25394 1.30589 26.95209 -0.00699 0.00233 0.00257
C 2.7061 1.51507 27.1628 0.008613 -0.003567 0.000908
C 5.35795 0.43813 25.14623 0.004487 0.013269 0.000739
C 4.29671 11.19156 24.18107 0.006721 -0.0351 -0.000983
C 4.99849 1.30585 26.32679 0.007537 0.00454 -0.002317
C 3.18321 1.1347 24.76934 -0.006787 0.021933 -2.9e-05
C 3.54631 1.51498 26.11614 -0.009219 -0.00709 -0.00158
C 3.1832 10.50289 24.76942 -0.007416 -0.022026 0.001861
C 1.34578 13.45842 29.77529 -0.0007 -0.000512 0.00081
C 6.13986 14.617 25.30339 0.014514 -0.004636 -0.002861
168
energy=-1515.04778479 config_type=nep2xyz pbc="T T T" virial="-38.19304465960995 0.03254651811501065 -0.021487429918308064 0.03254651811501065 -43.481433355649116 0.016819906002589483 -0.021487429918308064 0.016819906002589483 -5.01241608830168" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98726 0.013231 -0.010246 0.004869
C 1.47141 0.89094 19.98414 -0.000375 0.011618 0.001877
C 2.93782 0.89094 19.97819 0.003255 -0.014068 -0.001223
C 3.67602 2.16424 19.98672 -0.002137 -0.00804 0.004308
C 0.73321 4.71084 19.97558 -0.0016 -0.008049 -0.00179
C 1.47141 3.43754 19.98508 -0.011648 0.015239 0.004162
C 2.93782 3.43754 19.98871 -0.006332 0.00068 0.006648
C 3.67602 4.71084 19.98823 0.009823 0.007715 0.006323
C 0.73321 7.25743 19.97481 0.000805 0.002813 -0.002208
C 1.47141 5.98413 19.97988 -0.009546 0.003292 -0.00057
C 2.93782 5.98413 19.98735 -0.00222 -0.000369 0.004892
C 3.67602 7.25743 19.98793 0.011981 -0.004557 0.006015
C 0.73321 9.80403 19.98744 0.013156 0.008491 0.004835
C 1.47141 8.53073 19.98485 -0.010435 -0.012604 0.003874
C 2.93782 8.53073 19.98865 -0.006763 -0.004115 0.006498
C 3.67602 9.80403 19.98715 -0.001529 0.011285 0.004562
C 0.73321 12.35062 19.9834 0.004842 0.010096 0.001272
C 1.47141 11.07732 19.98509 -0.002852 -0.008112 0.002408
C 2.93782 11.07732 19.97955 0.00546 0.012477 -0.000613
C 3.67602 12.35062 19.96614 -0.000273 -0.009073 -0.007552
C 0.73321 14.89722 19.98302 0.005544 -0.012564 0.000885
C 1.47141 13.62392 19.97344 -0.00208 0.002371 -0.004023
C 2.93782 13.62392 19.96056 -0.007185 -0.001843 -0.009931
C 3.67602 14.89722 19.96511 0.000455 0.010883 -0.008102
C 5.14244 2.16424 19.98719 0.007602 0.001396 0.004415
C 5.88064 0.89094 19.98431 -0.01403 -0.00854 0.002496
C 7.34705 0.89094 19.98842 0.002855 -0.005325 0.005631
C 8.08525 2.16424 19.9873 -0.002786 0.010737 0.004987
C 5.14244 4.71084 19.98349 -0.00205 -0.004851 0.002575
C 5.88064 3.43754 19.98481 0.000542 0.003655 0.003085
C 7.34705 3.43754 19.9799 0.004271 0.007036 0.00055
C 8.08525 4.71084 19.96832 -0.000406 0.001635 -0.005303
C 5.14244 7.25743 19.98286 -0.003683 0.002025 0.002122
C 5.88064 5.98413 19.97571 0.023287 0.003258 -0.002432
C 7.34705 5.98413 19.96318 -0.015027 -0.000737 -0.007631
C 8.08525 7.25743 19.96719 -0.001463 0.001564 -0.0058
C 5.14244 9.80403 19.98702 0.008496 -0.00434 0.004227
C 5.88064 8.53073 19.98379 0.002038 0.000579 0.002411
C 7.34705 8.53073 19.97846 0.00227 -0.008078 -0.000173
C 8.08525 9.80403 19.98684 -0.004263 -0.007688 0.004537
C 5.14244 12.35062 19.97393 -0.000806 -0.007806 -0.004306
C 5.88064 11.07732 19.98449 -0.015353 0.012472 0.002465
C 7.34705 11.07732 19.98839 0.0032 0.001158 0.005493
C 8.08525 12.35062 19.98754 0.005062 0.003906 0.004656
C 5.14244 14.89722 19.97335 -0.00056 0.001934 -0.004666
C 5.88064 13.62392 19.97651 0.013704 0.002178 -0.003184
C 7.34705 13.62392 19.98519 -0.019432 -0.00016 0.00286
C 8.08525 14.89722 19.98743 0.00444 -0.001 0.004544
C 1.18604 8.31546 28.13274 -0.004563 0.004903 -0.000575
C 1.96782 7.21472 27.97492 0.009311 -0.0048 0.000567
C 6.8252 7.22179 23.34093 0.007788 -0.005781 -0.000678
C 1.72839 6.05622 28.7812 -0.001552 -0.001464 -0.000534
C 8.18239 6.77945 23.08655 -0.012276 -0.039611 -0.000618
C 2.58743 6.84008 26.65623 0.003735 0.009006 -0.001466
C 1.53034 5.3675 24.28427 0.024726 -0.008755 0.000559
C 1.09631 8.52416 25.64526 -0.006412 0.012566 -0.000263
C 6.60231 8.32344 24.18045 0.004945 0.009506 -0.001752
C 0.18719 8.59631 24.51742 0.011934 0.007295 -0.000523
C 6.82524 4.89097 23.34119 0.011788 0.006074 -0.000814
C 1.91094 7.45457 25.50408 0.0004 -0.014595 0.000373
C 0.44039 7.47052 23.66414 0.030037 0.01309 -0.000152
C 5.63076 8.5242 27.63355 0.004651 0.000862 0.000959
C 4.81608 7.4546 27.77404 0.005391 -0.00508 -0.002432
C 0.4404 4.64217 23.66425 0.026977 -0.010107 -0.000179
C 6.53994 8.59619 28.76184 -0.00975 -0.003097 -0.001645
C 4.13959 6.84013 26.62165 -0.001473 0.003357 0.000564
C 8.18241 5.33331 23.08682 -0.013062 0.032636 -0.00051
C 1.5303 6.74508 24.28425 0.02298 0.008101 -0.000385
C 0.82667 9.18323 26.95213 0.006513 0.003851 0.000444
C 8.19297 9.39242 27.16277 -0.010582 -0.003754 -0.006484
C 5.54111 8.31548 25.14593 0.001881 0.019128 0.000385
C 6.60236 3.78934 24.18052 0.004038 -0.012683 -0.00144
C 5.90057 9.18319 26.32668 -0.007367 0.003686 -0.003592
C 7.71585 9.01204 24.76914 -0.004118 0.02007 -0.001866
C 7.35275 9.39233 26.11596 0.011282 -0.006122 0.005543
C 7.71587 3.10066 24.76913 -0.003666 -0.020901 0.001485
C 0.73482 6.0562 29.7754 0.001886 -0.000541 7.4e-05
C 4.75921 7.21478 25.30307 -0.013319 -0.011734 -0.002805
C 5.59552 11.43688 25.1464 0.00833 -0.012489 -0.000348
C 6.37748 12.53751 25.30352 0.012123 0.000999 -0.001361
C 2.41633 12.53057 29.9393 0.003706 -0.003792 -0.000113
C 6.13802 13.69608 24.49704 0.029587 -0.000772 0.000449
C 3.77353 12.97293 30.19898 0.016594 -0.003173 -0.000545
C 6.99704 12.91212 26.62193 0.002274 -0.001677 -0.000133
C 5.93989 14.38478 28.99423 -0.001167 -0.001178 -0.000135
C 5.50585 11.2281 27.63373 -0.002887 -0.002385 -0.000707
C 2.19338 11.42891 29.09842 0.009597 -0.001688 0.000527
C 4.59669 11.15601 28.76199 0.008658 0.004299 -0.000471
C 2.4163 14.86139 29.93936 0.004437 0.005378 -9.9e-05
C 6.32057 12.29763 27.77424 -0.004727 0.00536 -0.001016
C 4.84995 12.28187 29.61594 0.005059 0.001838 -0.000532
C 1.22174 11.22804 25.64498 0.016688 -0.019223 -0.00154
C 0.40718 12.29768 25.50378 -0.008039 0.024378 0.001385
C 4.84993 15.11011 29.61602 0.005864 -0.002921 -0.000531
C 2.13095 11.15608 24.51756 -0.007627 -0.02876 0.00092
C 8.54918 12.91211 26.6561 -0.00147 -0.004701 -0.000545
C 3.77349 14.41904 30.19901 0.016821 0.000465 -0.000515
C 5.93993 13.0072 28.99417 -0.001892 0.002635 -0.000536
C 5.23604 10.56914 26.32681 0.008055 -0.004234 0.000275
C 3.78387 10.36 26.11612 -0.007984 0.007339 -0.004091
C 1.13215 11.43681 28.13263 0.003797 -0.005689 -0.000931
C 2.19336 0.68351 29.09852 0.008896 0.001016 0.000746
C 1.49149 10.56903 26.952 -0.005679 -0.002846 0.000879
C 3.30689 10.74023 28.50964 -0.002082 0.004011 -0.001441
C 2.94367 10.3599 27.1627 0.006281 0.001553 0.003678
C 3.30686 1.37217 28.50977 -0.001662 -0.003112 -0.00094
C 5.14439 13.69614 23.50436 -0.006605 -0.000956 -0.001027
C 0.3503 12.53749 27.97474 -0.007001 0.005286 0.001748
C 5.5411 3.79709 25.14598 0.001152 -0.021222 -0.000101
C 4.75915 4.89773 25.30304 -0.013529 0.012492 -0.002183
C 8.7203 4.89078 29.93937 -0.004231 -0.004634 -0.000266
C 4.99861 6.05629 24.49623 -0.023018 -0.000749 0.000661
C 7.3631 5.33315 30.19886 -0.019027 -0.004855 -0.000929
C 4.13959 5.27234 26.62167 -0.001039 -0.00063 -0.000987
C 5.19673 6.74499 28.99401 0.002453 0.000161 -0.0009
C 5.63077 3.58831 27.63354 0.003941 -0.000582 -0.00038
C 0.12478 3.78913 29.09849 -0.010969 -0.002859 -0.00054
C 6.53993 3.51623 28.76182 -0.007861 0.003261 -0.001226
C 8.72032 7.2216 29.93938 -0.004893 0.006101 -0.000555
C 4.81605 4.65785 27.77405 0.006033 0.006579 -0.001489
C 6.28667 4.64208 29.61585 -0.006742 0.004375 -0.000962
C 1.09642 3.58825 25.64517 -0.005664 -0.012053 0.003629
C 1.91098 4.65789 25.50411 -0.001426 0.015201 -0.002537
C 6.2867 7.47033 29.61584 -0.00658 -0.00504 -0.00112
C 0.18721 3.5163 24.51745 0.012086 -0.008669 -0.001852
C 2.58744 5.27233 26.65621 0.004104 -0.00366 0.001647
C 7.36313 6.77926 30.19884 -0.019363 0.003711 -0.000916
C 5.19669 5.36741 28.99404 0.00194 0.001386 -0.001109
C 5.90058 2.92935 26.32665 -0.008133 -0.004549 -0.00076
C 7.35275 2.72021 26.11605 0.006381 0.006894 -0.007098
C 1.18601 3.79702 28.1327 -0.004645 -0.005696 0.000732
C 0.1248 8.3233 29.09851 -0.010593 0.002253 -0.000119
C 0.82668 2.92925 26.95215 0.006501 -0.004255 -0.004183
C 7.82974 3.10044 28.50967 0.002084 0.003795 -0.002072
C 8.19296 2.72011 27.16258 -0.005557 0.002978 0.006281
C 7.82976 9.01196 28.50965 0.000429 -0.004092 0.000787
C 5.99223 6.05636 23.50277 0.002296 -0.0017 -0.001804
C 1.96786 4.89771 27.97492 0.009199 0.005182 -0.00066
C 1.13212 0.67567 28.13275 0.003407 0.004011 -0.001653
C 0.35034 14.8545 27.97477 -0.007161 -0.004708 0.002792
C 4.31142 14.86157 23.34313 -0.023206 -0.02418 -0.000551
C 0.58977 13.696 28.78108 0.000683 -0.001957 -0.001924
C 2.95423 14.41924 23.08991 0.034915 -0.064776 -0.000253
C 8.54919 14.47986 26.65617 -0.00189 0.009267 -0.003301
C 0.78782 13.00729 24.28443 -0.037209 0.005648 8.6e-05
C 1.22185 0.88437 25.64521 0.015124 0.020057 -0.003749
C 4.53431 0.68365 24.18115 0.006033 0.03121 -0.000397
C 2.13097 0.95652 24.51777 -0.00725 0.03239 0.001808
C 4.31138 12.53075 23.3428 -0.020666 0.024152 -0.000602
C 0.40723 15.09436 25.50385 -0.009623 -0.023286 0.003721
C 1.87777 15.1103 23.66406 -0.039458 0.021492 -6.5e-05
C 5.50586 0.88442 27.63385 -0.001644 0.002217 0.000148
C 6.32055 15.09439 27.77433 -0.004004 -0.003755 -0.002264
C 1.87776 12.28195 23.66388 -0.041979 -0.026408 -8.8e-05
C 4.59668 0.95641 28.76209 0.009871 -0.003989 -0.000703
C 6.99703 14.47992 26.62198 0.002361 0.004029 0.001792
C 2.95421 12.97309 23.08966 0.034266 0.065793 -0.000272
C 0.78786 14.38487 24.28453 -0.037729 -0.007437 -0.000632
C 1.4915 1.54345 26.95216 -0.007303 0.002556 0.003202
C 2.94366 1.75263 27.16289 0.007566 -0.003682 0.001586
C 5.59552 0.67569 25.1466 0.010261 0.011239 -9.4e-05
C 4.53427 11.42912 24.18101 0.00557 -0.034621 -0.000515
C 5.23605 1.54341 26.32697 0.008116 0.004508 -0.00067
C 3.42077 1.37226 24.76951 -0.01018 0.022717 -0.000119
C 3.78387 1.75254 26.11629 -0.00793 -0.006274 -0.002038
C 3.42076 10.74045 24.76935 -0.008168 -0.023862 0.000448
C 1.58334 13.69598 29.77526 -0.000737 -0.000593 0.000948
C 6.37742 14.85456 25.30367 0.011084 0.000721 -0.001895
168
energy=-1515.04707198 config_type=nep2xyz pbc="T T T" virial="-38.21596178153848 0.1182018894331976 -0.03763453968079397 0.1182018894331976 -43.51688130754958 0.013918472217142798 -0.03763453968079397 0.013918472217142798 -4.99118095697341" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98707 0.015319 -0.015051 0.00444
C 1.47141 0.89094 19.98317 0.003499 0.018019 0.001321
C 2.93782 0.89094 19.97546 0.002969 -0.016613 -0.002193
C 3.67602 2.16424 19.98561 -0.002824 -0.007447 0.003169
C 0.73321 4.71084 19.97544 -0.000542 -0.011085 -0.001656
C 1.47141 3.43754 19.98477 -0.011305 0.017499 0.003466
C 2.93782 3.43754 19.98852 -0.007348 -0.003557 0.005601
C 3.67602 4.71084 19.98879 0.00524 0.013254 0.00589
C 0.73321 7.25743 19.97172 0.010418 -0.002629 -0.00322
C 1.47141 5.98413 19.9776 -0.00753 0.01112 -0.0014
C 2.93782 5.98413 19.98655 -0.004997 -0.004234 0.003907
C 3.67602 7.25743 19.98751 0.013659 -0.001558 0.004949
C 0.73321 9.80403 19.98739 0.014412 0.000944 0.004206
C 1.47141 8.53073 19.98299 -0.007017 -0.009191 0.002356
C 2.93782 8.53073 19.9879 -0.01222 -0.00772 0.005203
C 3.67602 9.80403 19.98746 -0.000701 0.011756 0.004105
C 0.73321 12.35062 19.98572 0.00493 0.003903 0.002667
C 1.47141 11.07732 19.98686 -0.005294 -0.005281 0.00318
C 2.93782 11.07732 19.98126 0.010083 0.014644 0.000217
C 3.67602 12.35062 19.967 -0.006706 -0.006107 -0.006446
C 0.73321 14.89722 19.98413 0.005773 -0.010927 0.001235
C 1.47141 13.62392 19.97589 0.009377 0.006379 -0.00277
C 2.93782 13.62392 19.96097 -0.01034 -0.012448 -0.008787
C 3.67602 14.89722 19.96238 -0.000589 0.018092 -0.008236
C 5.14244 2.16424 19.98712 0.007328 -0.00727 0.003895
C 5.88064 0.89094 19.98318 -0.012565 -0.002496 0.001653
C 7.34705 0.89094 19.98852 -0.001434 -0.008922 0.005248
C 8.08525 2.16424 19.9881 -0.001804 0.011536 0.005304
C 5.14244 4.71084 19.98558 -0.000552 -0.005346 0.003813
C 5.88064 3.43754 19.98685 0.000138 0.006518 0.004227
C 7.34705 3.43754 19.98238 0.005469 0.005446 0.00212
C 8.08525 4.71084 19.97044 0.000264 0.009693 -0.003773
C 5.14244 7.25743 19.98323 -0.007525 -0.003104 0.002115
C 5.88064 5.98413 19.97769 0.01933 0.009643 -0.00102
C 7.34705 5.98413 19.9651 -0.007316 -0.002245 -0.006229
C 8.08525 7.25743 19.96558 -0.004605 0.00017 -0.005853
C 5.14244 9.80403 19.98676 0.00974 -0.009354 0.003594
C 5.88064 8.53073 19.98305 0.005208 0.006874 0.001842
C 7.34705 8.53073 19.97676 -0.003887 -0.008741 -0.000854
C 8.08525 9.80403 19.98621 -0.005593 -0.003931 0.003753
C 5.14244 12.35062 19.97353 3e-05 -0.014903 -0.004075
C 5.88064 11.07732 19.98429 -0.016625 0.017622 0.002097
C 7.34705 11.07732 19.98856 0.003092 -0.005642 0.005163
C 8.08525 12.35062 19.9886 0.002447 0.009819 0.005068
C 5.14244 14.89722 19.97077 -0.001749 -0.004911 -0.00521
C 5.88064 13.62392 19.9752 0.009726 0.006413 -0.003412
C 7.34705 13.62392 19.98539 -0.016605 -0.003707 0.002842
C 8.08525 14.89722 19.98808 0.001649 0.001119 0.004404
C 1.4236 8.55302 28.13263 -0.004566 0.004671 -0.001234
C 2.20538 7.45228 27.97482 0.009298 -0.005277 0.001089
C 7.06276 7.45935 23.34091 0.007198 -0.007459 -0.000586
C 1.96595 6.29378 28.78119 -0.000886 -0.000453 -0.001629
C 8.41995 7.01701 23.08636 -0.012311 -0.0553 -0.000637
C 2.82499 7.07764 26.65614 0.002998 0.007955 -0.001353
C 1.7679 5.60506 24.28419 0.02692 -0.013765 0.000175
C 1.33387 8.76172 25.64513 -0.00786 0.01207 -0.001086
C 6.83987 8.561 24.18037 0.000146 0.009538 -0.002274
C 0.42475 8.83387 24.51736 0.009935 0.008842 -0.000445
C 7.0628 5.12853 23.34198 0.022261 0.012067 -0.000257
C 2.1485 7.69213 25.50389 0.001471 -0.01509 0.000432
C 0.67795 7.70808 23.66384 0.036782 0.017212 -0.000268
C 5.86832 8.76176 27.63345 0.00374 0.000552 0.000327
C 5.05364 7.69216 27.77395 0.005495 -0.005313 -0.001747
C 0.67796 4.87973 23.66446 0.024623 -0.003492 0.000104
C 6.7775 8.83375 28.76172 -0.009533 -0.003492 -0.001485
C 4.37715 7.07769 26.62163 -0.001216 0.003818 0.000153
C 8.41997 5.57087 23.08732 -0.01963 0.034656 -0.000439
C 1.76786 6.98264 24.28399 0.02102 0.012511 -0.000378
C 1.06423 9.42079 26.95204 0.006826 0.00331 0.001031
C 8.43053 9.62998 27.1627 -0.00952 -0.00354 -0.005108
C 5.77867 8.55304 25.14579 0.004439 0.01976 0.000761
C 6.83992 4.0269 24.18078 -0.000818 -0.014591 -0.002218
C 6.13813 9.42075 26.32657 -0.007143 0.004396 -0.003072
C 7.95341 9.2496 24.76912 0.001826 0.019502 -0.001167
C 7.59031 9.62989 26.11591 0.010916 -0.006622 0.003351
C 7.95343 3.33822 24.76935 0.001989 -0.018192 -0.000445
C 0.97239 6.29376 29.77536 0.000991 0.00025 0.000401
C 4.99677 7.45234 25.30302 -0.016764 -0.015746 -0.003354
C 5.83308 11.67444 25.14636 0.008356 -0.010358 -0.000677
C 6.61504 12.77507 25.3036 0.012502 -0.000672 -0.000857
C 2.65389 12.76813 29.93929 0.00542 -0.005091 -0.000145
C 6.37558 13.93364 24.4971 0.026223 -0.000418 -0.000327
C 4.01109 13.21049 30.19896 0.016411 -0.004266 -0.000515
C 7.2346 13.14968 26.622 0.00289 -0.001731 -5.2e-05
C 6.17745 14.62234 28.9943 -0.000671 -0.001146 -0.000416
C 5.74341 11.46566 27.63373 -0.003594 -0.00331 -0.000338
C 2.43094 11.66647 29.09838 0.009998 -0.001036 0.000185
C 4.83425 11.39357 28.76198 0.008145 0.002831 -0.000776
C 2.65386 15.09895 29.93943 0.004404 0.005326 0.000209
C 6.55813 12.53519 27.77427 -0.004001 0.005719 -0.001089
C 5.08751 12.51943 29.61594 0.004435 0.002338 -0.000535
C 1.4593 11.4656 25.64491 0.016641 -0.018929 -0.00084
C 0.64474 12.53524 25.50377 -0.007337 0.025432 0.000992
C 5.08749 0.0681 29.61611 0.006621 -0.003634 -0.00024
C 2.36851 11.39364 24.5174 -0.010639 -0.018698 0.000407
C 8.78674 13.14967 26.65615 -0.001782 -0.00444 -0.000729
C 4.01105 14.6566 30.19905 0.016544 -0.000454 -0.000397
C 6.17749 13.24476 28.99421 -0.001106 0.002141 -0.000499
C 5.4736 10.8067 26.32676 0.007259 -0.004319 -0.000169
C 4.02143 10.59756 26.11599 -0.009326 0.007547 -0.002388
C 1.36971 11.67437 28.13259 0.004885 -0.006916 -0.000581
C 2.43092 0.92107 29.09861 0.009072 0.00116 0.000207
C 1.72905 10.80659 26.95195 -0.007881 -0.003385 0.000133
C 3.54445 10.97779 28.50956 -0.001235 0.005326 -0.000822
C 3.18123 10.59746 27.16261 0.007202 0.001903 0.001792
C 3.54442 1.60973 28.5099 0.001621 -0.002311 -0.001902
C 5.38195 13.9337 23.50453 -0.005574 0.002032 -0.000699
C 0.58786 12.77505 27.97479 -0.007048 0.00567 0.001112
C 5.77866 4.03465 25.14622 -0.003181 -0.020578 0.001345
C 4.99671 5.13529 25.30318 -0.012668 0.011494 -0.003505
C 0.1394 5.12834 29.93941 -0.005203 -0.004932 -0.000421
C 5.23617 6.29385 24.49629 -0.022814 0.000839 0.002218
C 7.60066 5.57071 30.19889 -0.017671 -0.00413 -0.000734
C 4.37715 5.5099 26.62171 -0.000531 -5.7e-05 0.000702
C 5.43429 6.98255 28.99392 0.001668 -0.000307 -0.001017
C 5.86833 3.82587 27.63363 0.003273 -0.000441 0.001457
C 0.36234 4.02669 29.09853 -0.009897 -0.002569 0.00011
C 6.77749 3.75379 28.7619 -0.008803 0.003873 -0.001569
C 0.13942 7.45916 29.9393 -0.003555 0.006891 -0.00066
C 5.05361 4.89541 27.77412 0.004524 0.006686 -0.002264
C 6.52423 4.87964 29.61591 -0.008323 0.004977 -0.00084
C 1.33398 3.82581 25.64532 -0.005717 -0.01177 0.000892
C 2.14854 4.89545 25.50408 0.00087 0.015553 -0.00065
C 6.52426 7.70789 29.61574 -0.005408 -0.004589 -0.001071
C 0.42477 3.75386 24.51771 0.011086 -0.013903 -0.001024
C 2.825 5.50989 26.65622 0.003971 -0.003859 -0.000251
C 7.60069 7.01682 30.1988 -0.019934 0.004431 -0.000904
C 5.43425 5.60497 28.99407 0.001259 0.000903 -0.000662
C 6.13814 3.16691 26.32683 -0.009428 -0.005744 -0.003534
C 7.59031 2.95777 26.1161 0.008284 0.004988 0.004169
C 1.42357 4.03458 28.13276 -0.003373 -0.005452 -0.000572
C 0.36236 8.56086 29.09841 -0.010039 0.000806 -2.4e-05
C 1.06424 3.16681 26.95218 0.006343 -0.004545 0.000325
C 8.0673 3.338 28.50974 0.001091 0.004559 0.001097
C 8.43052 2.95767 27.16282 -0.007596 0.00271 -0.005426
C 8.06732 9.24952 28.50959 0.002357 -0.003389 0.000385
C 6.22979 6.29392 23.50267 -0.00351 -0.00067 -0.002279
C 2.20542 5.13527 27.97491 0.00812 0.006161 0.000847
C 1.36968 0.91324 28.13282 0.003551 0.003696 -0.000328
C 0.5879 15.09207 27.97487 -0.007955 -0.003928 0.001245
C 4.54898 15.09913 23.34324 -0.019929 -0.018035 -0.000666
C 0.82733 13.93356 28.78114 0.001206 -0.003567 -0.000919
C 3.19179 14.6568 23.08949 0.032359 -0.052231 -0.000247
C 8.78675 14.71742 26.65623 -0.001286 0.008462 -0.00088
C 1.02538 13.24485 24.28438 -0.032222 0.001253 -9.3e-05
C 1.45941 1.12193 25.64528 0.014015 0.021143 -0.000291
C 4.77187 0.92121 24.18126 0.003758 0.024618 8e-06
C 2.36854 1.19408 24.51786 -0.005808 0.031001 0.000407
C 4.54894 12.76831 23.34222 -0.015628 0.022324 -0.000685
C 0.64479 0.05235 25.50399 -0.008278 -0.023353 0.001191
C 2.11533 0.06829 23.6642 -0.039555 0.014964 -3.6e-05
C 5.74342 1.12198 27.63396 -0.000872 0.002554 -0.000883
C 6.55811 0.05238 27.77439 -0.005152 -0.003862 -0.00089
C 2.11532 12.51951 23.66375 -0.047458 -0.02944 -0.000151
C 4.83424 1.19397 28.76218 0.00821 -0.003905 -0.000429
C 7.23459 14.71748 26.62208 0.001765 0.003906 5.5e-05
C 3.19177 13.21065 23.08869 0.031679 0.059651 -0.000366
C 1.02542 14.62243 24.28461 -0.035203 -0.005251 -2.6e-05
C 1.72906 1.78101 26.95228 -0.006769 0.002371 -0.000493
C 3.18122 1.99019 27.16292 0.005034 -0.004001 0.008388
C 5.83308 0.91325 25.14675 0.010416 0.012033 -0.000836
C 4.77183 11.66668 24.18085 0.000471 -0.032781 -0.000316
C 5.47361 1.78097 26.32706 0.008058 0.005918 0.001756
C 3.65833 1.60982 24.7696 -0.011076 0.023626 0.001986
C 4.02143 1.99011 26.11647 -0.006037 -0.006414 -0.009062
C 3.65832 10.97801 24.76918 -0.002275 -0.024179 -5.7e-05
C 1.8209 13.93354 29.77534 -0.00062 -0.002068 0.000605
C 6.61498 15.09212 25.30376 0.010922 0.002432 -0.00073
168
energy=-1515.04594201 config_type=nep2xyz pbc="T T T" virial="-38.246952458348254 0.12526624995428517 -0.025103709708864802 0.12526624995428517 -43.528108594806305 0.021403330388295116 -0.025103709708864802 0.021403330388295116 -4.964185007839253" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98676 0.015066 -0.015442 0.004573
C 1.47141 0.89094 19.98216 0.008347 0.017842 0.000873
C 2.93782 0.89094 19.97333 0.000745 -0.011546 -0.003492
C 3.67602 2.16424 19.98424 -0.004239 -0.009533 0.002304
C 0.73321 4.71084 19.97579 -0.000974 -0.007948 -0.00227
C 1.47141 3.43754 19.98462 -0.009498 0.016155 0.003219
C 2.93782 3.43754 19.98794 -0.006265 -0.005203 0.005298
C 3.67602 4.71084 19.98861 0.000652 0.013545 0.005984
C 0.73321 7.25743 19.96838 0.017176 -0.00226 -0.005496
C 1.47141 5.98413 19.97498 -0.002454 0.013834 -0.003104
C 2.93782 5.98413 19.98503 -0.010415 -0.004409 0.002981
C 3.67602 7.25743 19.98648 0.014243 -0.000348 0.004129
C 0.73321 9.80403 19.98625 0.012291 -0.005495 0.003518
C 1.47141 8.53073 19.98001 -0.002686 -0.008323 0.000506
C 2.93782 8.53073 19.98625 -0.016447 -0.006067 0.004047
C 3.67602 9.80403 19.98736 -0.001999 0.008381 0.004308
C 0.73321 12.35062 19.98696 0.004931 0.002514 0.003892
C 1.47141 11.07732 19.98748 -0.004568 -0.003909 0.003956
C 2.93782 11.07732 19.98279 0.011425 0.015259 0.000999
C 3.67602 12.35062 19.96963 -0.010231 -0.000209 -0.005905
C 0.73321 14.89722 19.9845 0.003953 -0.007093 0.001567
C 1.47141 13.62392 19.97793 0.017723 0.006935 -0.002008
C 2.93782 13.62392 19.96297 -0.009706 -0.018097 -0.00877
C 3.67602 14.89722 19.96126 0.001441 0.01791 -0.009593
C 5.14244 2.16424 19.98638 0.006426 -0.00955 0.003757
C 5.88064 0.89094 19.98184 -0.008579 -0.000992 0.000965
C 7.34705 0.89094 19.98792 -0.006759 -0.007373 0.005588
C 8.08525 2.16424 19.98827 -0.002099 0.009743 0.006253
C 5.14244 4.71084 19.98684 0.001093 -0.000495 0.004881
C 5.88064 3.43754 19.98784 -0.000628 0.002859 0.005494
C 7.34705 3.43754 19.98417 0.007897 0.005967 0.003374
C 8.08525 4.71084 19.97305 0.003079 0.00801 -0.003294
C 5.14244 7.25743 19.98365 -0.008169 -0.006389 0.002112
C 5.88064 5.98413 19.97951 0.012348 0.011486 -0.000238
C 7.34705 5.98413 19.96784 -0.000879 0.00334 -0.006231
C 8.08525 7.25743 19.96457 -0.008321 -0.003381 -0.007349
C 5.14244 9.80403 19.98673 0.009374 -0.010243 0.004046
C 5.88064 8.53073 19.98276 0.007294 0.008115 0.00169
C 7.34705 8.53073 19.97584 -0.00866 -0.010064 -0.00183
C 8.08525 9.80403 19.98522 -0.004121 -0.000378 0.003305
C 5.14244 12.35062 19.97481 -0.00137 -0.015714 -0.003644
C 5.88064 11.07732 19.98469 -0.015276 0.017925 0.002891
C 7.34705 11.07732 19.98849 0.003241 -0.009448 0.005817
C 8.08525 12.35062 19.989 -0.000112 0.012058 0.006181
C 5.14244 14.89722 19.96918 -0.001935 -0.009885 -0.006464
C 5.88064 13.62392 19.9751 0.003073 0.010184 -0.003576
C 7.34705 13.62392 19.98543 -0.012577 -0.004135 0.003415
C 8.08525 14.89722 19.98801 0.001245 -9.9e-05 0.004852
C 1.66116 8.79058 28.13265 -0.004665 0.004073 -0.001022
C 2.44294 7.68984 27.97488 0.009191 -0.004338 0.001348
C 7.30032 7.69691 23.34107 0.006971 -0.006854 -0.000654
C 2.20352 6.53134 28.78125 -0.000824 -2.2e-05 -0.000552
C 8.65751 7.25457 23.08709 -0.014289 -0.070447 -0.000482
C 3.06255 7.3152 26.65623 0.002416 0.008348 -0.002758
C 2.00546 5.84262 24.28439 0.030036 -0.012105 0.000871
C 1.57143 8.99928 25.64514 -0.008477 0.013667 -0.001299
C 7.07743 8.79856 24.18043 -0.003422 0.013461 -0.001941
C 0.66231 9.07143 24.5174 0.008383 0.016333 -1.5e-05
C 7.30036 5.36609 23.34232 0.03189 0.018277 -0.000476
C 2.38606 7.92969 25.50394 0.00427 -0.015536 0.001932
C 0.91551 7.94564 23.66389 0.038094 0.018881 -0.00018
C 6.10588 8.99932 27.6335 0.003108 0.000528 0.000719
C 5.2912 7.92972 27.77401 0.005015 -0.005588 -0.002496
C 0.91552 5.11729 23.66476 0.022248 -0.003689 0.000175
C 7.01506 9.07131 28.76179 -0.009152 -0.003183 -0.001593
C 4.61471 7.31525 26.62166 -0.000348 0.003455 0.001032
C 8.65753 5.80843 23.08826 -0.025507 0.041832 -0.000243
C 2.00542 7.2202 24.28415 0.019493 0.008977 -0.000648
C 1.30179 9.65835 26.95206 0.005688 0.002679 0.000614
C 8.66809 9.86754 27.16269 -0.007826 -0.00281 -0.000753
C 6.01623 8.7906 25.1458 0.005703 0.019512 0.000721
C 7.07748 4.26446 24.18089 -0.002367 -0.023149 -0.001596
C 6.37569 9.65831 26.32661 -0.008071 0.004069 -0.002663
C 8.19098 9.48716 24.7692 0.004798 0.018691 -0.00041
C 7.82787 9.86745 26.11599 0.0101 -0.007448 -0.000333
C 8.19099 3.57578 24.76941 0.000899 -0.016079 0.002135
C 1.20995 6.53132 29.77544 0.000989 -0.000434 0.000262
C 5.23433 7.6899 25.30305 -0.018938 -0.017403 -0.003235
C 6.07065 11.912 25.14632 0.006951 -0.008278 -0.00087
C 6.8526 13.01263 25.30356 0.011774 -0.002362 -0.000358
C 2.89145 13.00569 29.93935 0.005046 -0.005721 -0.000231
C 6.61314 14.1712 24.49686 0.018494 0.001286 -0.00117
C 4.24865 13.44806 30.19893 0.017395 -0.004725 -0.000586
C 7.47216 13.38724 26.62201 0.002321 -0.00117 -0.001494
C 6.41501 14.8599 28.99425 0.000222 -0.001039 -0.000516
C 5.98097 11.70322 27.63371 -0.004062 -0.003111 -0.000718
C 2.6685 11.90403 29.09845 0.010698 -0.002162 4.8e-05
C 5.07181 11.63114 28.76194 0.009447 0.003203 -0.000608
C 2.89142 0.05694 29.93948 0.005039 0.005554 0.000173
C 6.79569 12.77275 27.77425 -0.004047 0.00566 -0.000372
C 5.32507 12.75699 29.61592 0.00427 0.003032 -0.000838
C 1.69687 11.70316 25.64506 0.014804 -0.017523 9.1e-05
C 0.8823 12.7728 25.50401 -0.004405 0.023325 -0.000796
C 5.32505 0.30566 29.61607 0.007456 -0.004673 -0.00055
C 2.60607 11.6312 24.51742 -0.016613 -0.010013 -5.3e-05
C 0.20584 13.38723 26.65625 -0.002651 -0.004241 0.001519
C 4.24861 14.89417 30.19898 0.016717 0.000149 -0.000532
C 6.41505 13.48232 28.99418 -0.001399 0.001834 -0.000856
C 5.71116 11.04426 26.32675 0.006956 -0.003703 -0.001245
C 4.25899 10.83512 26.1159 -0.011864 0.006112 0.005782
C 1.60727 11.91193 28.13267 0.004635 -0.007032 -5.1e-05
C 2.66848 1.15863 29.09866 0.01005 0.00181 0.000187
C 1.96661 11.04415 26.95201 -0.008275 -0.004724 0.000696
C 3.78201 11.21535 28.50959 -0.001377 0.005442 0.001103
C 3.41879 10.83502 27.1627 0.010405 0.001371 -0.006385
C 3.78198 1.84729 28.5099 -0.000747 -0.002456 -0.002021
C 5.61951 14.17126 23.50416 0.00164 0.004604 -0.000586
C 0.82542 13.01262 27.97493 -0.007996 0.005427 3.1e-05
C 6.01622 4.27221 25.14639 -0.005145 -0.016808 0.000999
C 5.23427 5.37285 25.30328 -0.011906 0.007343 -0.002677
C 0.37696 5.3659 29.93945 -0.005195 -0.005192 6.6e-05
C 5.47373 6.53141 24.49635 -0.019499 0.00415 0.001593
C 7.83822 5.80827 30.19893 -0.016961 -0.003729 -0.000624
C 4.61471 5.74746 26.62178 -0.000528 -0.000416 0.000115
C 5.67185 7.22011 28.99396 0.00135 -0.000995 -0.0008
C 6.10589 4.06343 27.63371 0.002433 -0.000834 0.001713
C 0.5999 4.26425 29.0986 -0.010114 -0.003128 -0.000299
C 7.01505 3.99135 28.762 -0.008903 0.00415 -0.001605
C 0.37698 7.69672 29.93933 -0.005251 0.007277 -0.00044
C 5.29117 5.13297 27.77419 0.004876 0.006062 -0.002399
C 6.76179 5.1172 29.61596 -0.008752 0.004628 -0.000611
C 1.57154 4.06337 25.64541 -0.006702 -0.013343 0.003614
C 2.3861 5.13301 25.50423 0.00279 0.017306 -0.002321
C 6.76182 7.94545 29.61576 -0.004911 -0.004415 -0.000954
C 0.66233 3.99142 24.5179 0.014592 -0.01894 -0.001533
C 3.06256 5.74745 26.65628 0.004605 -0.003186 0.002112
C 7.83825 7.25438 30.19881 -0.019854 0.004504 -0.000878
C 5.67181 5.84253 28.99412 0.001749 0.001333 -0.000399
C 6.3757 3.40447 26.32692 -0.009401 -0.005561 -0.002108
C 7.82787 3.19533 26.11628 0.005491 0.004429 -0.006742
C 1.66113 4.27214 28.13282 -0.004579 -0.005702 0.000864
C 0.59992 8.79842 29.09842 -0.010296 0.001035 5.2e-05
C 1.3018 3.40437 26.9523 0.006967 -0.005362 -0.00326
C 8.30486 3.57556 28.50986 0.000718 0.003016 -0.001561
C 8.66808 3.19523 27.16277 -0.00509 0.004041 0.00669
C 8.30488 9.48708 28.50959 0.001198 -0.003333 -0.000733
C 6.46735 6.53148 23.5027 -0.011963 0.000854 -0.001919
C 2.44298 5.37283 27.97499 0.00785 0.005125 -0.000396
C 1.60724 1.1508 28.13288 0.004355 0.004547 -0.000359
C 0.82546 0.05005 27.97499 -0.007585 -0.003275 0.0013
C 4.78654 0.05712 23.34258 -0.01357 -0.00683 -0.000796
C 1.06489 14.17113 28.78125 0.001376 -0.001994 -0.000257
C 3.42935 14.89436 23.08883 0.026034 -0.047013 -0.000255
C 0.20585 14.95498 26.65637 -0.002701 0.007836 -0.002207
C 1.26295 13.48241 24.28457 -0.029773 -0.002369 0.000545
C 1.69697 1.35949 25.64538 0.011263 0.018962 -0.001546
C 5.00943 1.15877 24.18112 0.000455 0.017402 0.000265
C 2.6061 1.43164 24.51779 -0.006662 0.02723 0.001049
C 4.7865 13.00587 23.34149 -0.015702 0.016367 -0.00064
C 0.88235 0.28991 25.50416 -0.007303 -0.020382 0.002434
C 2.35289 0.30585 23.66439 -0.035415 0.009809 -8.4e-05
C 5.98098 1.35954 27.63392 -0.00219 0.002682 -0.001708
C 6.79567 0.28994 27.77435 -0.00595 -0.004064 -0.001071
C 2.35288 12.75707 23.66413 -0.042465 -0.026702 2.9e-05
C 5.0718 1.43153 28.76214 0.008893 -0.003128 -4.5e-05
C 7.47215 14.95504 26.62204 0.001122 0.003573 0.000447
C 3.42933 13.44821 23.08809 0.028537 0.050006 -0.000418
C 1.26298 14.85999 24.28476 -0.027137 -0.003248 -0.000307
C 1.96662 2.01857 26.9523 -0.007496 0.001631 0.000705
C 3.41878 2.22775 27.16292 0.006422 -0.00303 0.006831
C 6.07064 1.15081 25.14661 0.005302 0.014081 -0.001367
C 5.00939 11.90424 24.18071 -0.005553 -0.030476 -0.000573
C 5.71117 2.01853 26.32701 0.009672 0.005404 0.001984
C 3.89589 1.84738 24.76957 -0.007815 0.02238 0.001009
C 4.25899 2.22767 26.11641 -0.007472 -0.006734 -0.007206
C 3.89588 11.21557 24.76911 0.008619 -0.020962 -0.001921
C 2.05846 14.1711 29.77543 -0.000424 -0.001919 0.000414
C 6.85254 0.05011 25.30364 0.013208 -0.001701 -0.000577
168
energy=-1515.0451993 config_type=nep2xyz pbc="T T T" virial="-38.27134132205201 0.06114035831941278 -0.014002571747155745 0.06114035831941278 -43.503341283217495 0.027963093729305017 -0.014002571747155745 0.027963093729305017 -4.946902554421593" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98685 0.012163 -0.011558 0.004367
C 1.47141 0.89094 19.98155 0.013706 0.011725 0.00054
C 2.93782 0.89094 19.97182 -0.002458 -0.003945 -0.004133
C 3.67602 2.16424 19.98288 -0.004714 -0.012799 0.001273
C 0.73321 4.71084 19.97637 -0.000436 -0.000536 -0.002309
C 1.47141 3.43754 19.98491 -0.00717 0.012846 0.002843
C 2.93782 3.43754 19.98749 -0.003526 -0.004972 0.004401
C 3.67602 4.71084 19.98834 -0.003103 0.009669 0.005419
C 0.73321 7.25743 19.96486 0.016403 0.001913 -0.007214
C 1.47141 5.98413 19.97224 0.003143 0.008819 -0.004382
C 2.93782 5.98413 19.98338 -0.016971 -0.001588 0.001593
C 3.67602 7.25743 19.98552 0.012496 -0.000529 0.002859
C 0.73321 9.80403 19.98447 0.007191 -0.009887 0.002017
C 1.47141 8.53073 19.97644 0.001544 -0.008342 -0.001745
C 2.93782 8.53073 19.9844 -0.018629 -0.001201 0.002459
C 3.67602 9.80403 19.98736 -0.004355 0.001968 0.004239
C 0.73321 12.35062 19.98753 0.005644 0.00491 0.004501
C 1.47141 11.07732 19.98748 -0.001875 -0.004167 0.003925
C 2.93782 11.07732 19.98416 0.009129 0.013953 0.001783
C 3.67602 12.35062 19.97294 -0.008727 0.005372 -0.004161
C 0.73321 14.89722 19.98448 0.000384 -0.002916 0.001666
C 1.47141 13.62392 19.97937 0.021465 0.003901 -0.001015
C 2.93782 13.62392 19.96538 -0.008496 -0.015199 -0.007466
C 3.67602 14.89722 19.96072 0.002841 0.012056 -0.009438
C 5.14244 2.16424 19.98522 0.002997 -0.005471 0.002971
C 5.88064 0.89094 19.98008 -0.003845 -0.00555 -1.2e-05
C 7.34705 0.89094 19.98698 -0.009752 -0.003185 0.004775
C 8.08525 2.16424 19.98844 -0.002827 0.004484 0.006355
C 5.14244 4.71084 19.98779 0.002852 0.005581 0.005503
C 5.88064 3.43754 19.98836 -0.002252 -0.00392 0.005852
C 7.34705 3.43754 19.98566 0.00974 0.00911 0.004509
C 8.08525 4.71084 19.97577 0.005466 -0.00041 -0.002141
C 5.14244 7.25743 19.98444 -0.006391 -0.005682 0.002387
C 5.88064 5.98413 19.98133 0.00744 0.008053 0.000854
C 7.34705 5.98413 19.97066 0.001737 0.011464 -0.005099
C 8.08525 7.25743 19.96397 -0.0109 -0.006238 -0.00774
C 5.14244 9.80403 19.98726 0.007355 -0.007575 0.004679
C 5.88064 8.53073 19.98321 0.007802 0.004545 0.002005
C 7.34705 8.53073 19.97573 -0.008466 -0.012058 -0.002065
C 8.08525 9.80403 19.98427 -0.000786 0.001251 0.002423
C 5.14244 12.35062 19.97679 -0.003747 -0.011474 -0.002234
C 5.88064 11.07732 19.98571 -0.01244 0.014969 0.004009
C 7.34705 11.07732 19.98857 0.004005 -0.009963 0.005974
C 8.08525 12.35062 19.98914 -0.002392 0.010209 0.006454
C 5.14244 14.89722 19.96752 0.001561 -0.0097 -0.006699
C 5.88064 13.62392 19.97523 -0.002167 0.013246 -0.003165
C 7.34705 13.62392 19.98526 -0.009303 -0.001287 0.003409
C 8.08525 14.89722 19.98753 0.001901 -0.002463 0.004479
C 1.89872 9.02814 28.13283 -0.003944 0.005316 -0.001021
C 2.6805 7.9274 27.97503 0.008619 -0.004022 0.001964
C 7.53789 7.93447 23.34112 0.010956 -0.003836 -0.000638
C 2.44108 6.7689 28.78138 -0.001229 0.000315 -0.000152
C 0.07661 7.49213 23.0883 -0.014461 -0.076021 -0.000349
C 3.30011 7.55276 26.65642 0.003147 0.007752 -0.003914
C 2.24302 6.08018 24.28486 0.031816 -0.005485 0.001372
C 1.80899 9.23684 25.64537 -0.009541 0.014842 -0.002221
C 7.31499 9.03612 24.18049 -0.003092 0.018731 -0.001401
C 0.89987 9.30899 24.51762 0.010464 0.022846 0.000645
C 7.53792 5.60365 23.34194 0.034844 0.017781 -0.000457
C 2.62362 8.16725 25.50423 0.007084 -0.015309 0.003297
C 1.15307 8.1832 23.66441 0.032783 0.016235 1.4e-05
C 6.34344 9.23689 27.63356 0.003052 0.001139 0.000813
C 5.52876 8.16728 27.77402 0.00616 -0.005208 -0.003004
C 1.15308 5.35485 23.66515 0.020215 -0.007619 0.000296
C 7.25262 9.30888 28.76187 -0.009381 -0.003492 -0.001521
C 4.85227 7.55281 26.62166 0.00066 0.003432 0.002182
C 0.07663 6.04599 23.08913 -0.025407 0.050882 -0.000106
C 2.24298 7.45776 24.28469 0.02109 0.000765 -0.000764
C 1.53935 9.89591 26.95222 0.007028 0.002235 0.001652
C 0.08719 10.1051 27.16275 -0.00958 -0.002812 0.001342
C 6.25379 9.02816 25.14582 0.006263 0.018357 0.0004
C 7.31504 4.50202 24.18079 -0.000391 -0.031413 -0.001247
C 6.61325 9.89587 26.32663 -0.008988 0.004027 -0.002069
C 8.42854 9.72473 24.76928 0.002703 0.018405 8.1e-05
C 8.06543 10.10501 26.11607 0.009671 -0.007416 -0.002172
C 8.42855 3.81334 24.76934 -0.007712 -0.01612 0.002662
C 1.44751 6.76888 29.77554 0.000912 -0.000686 0.000421
C 5.47189 7.92746 25.30304 -0.020716 -0.016028 -0.002921
C 6.30821 12.14956 25.14618 0.005156 -0.008167 -0.001044
C 7.09016 13.25019 25.30333 0.012338 -0.000551 -0.000208
C 3.12901 13.24325 29.93942 0.005281 -0.006746 -2.7e-05
C 6.8507 14.40876 24.49639 0.011404 0.002727 -0.001344
C 4.48621 13.68562 30.19891 0.018091 -0.005063 -0.000662
C 7.70972 13.6248 26.62189 0.00147 -0.000472 -0.002148
C 6.65257 15.09746 28.9941 -0.000925 -0.001077 -0.000687
C 6.21853 11.94078 27.63365 -0.004465 -0.002866 -0.001
C 2.90607 12.14159 29.09852 0.012104 -0.003267 -0.000359
C 5.30938 11.8687 28.76189 0.008983 0.003017 -0.00069
C 3.12898 0.2945 29.93948 0.006908 0.006576 9.8e-05
C 7.03325 13.01032 27.77415 -0.006195 0.005519 -0.000208
C 5.56263 12.99455 29.61589 0.005684 0.003506 -0.000879
C 1.93443 11.94072 25.6453 0.010269 -0.016621 0.002585
C 1.11986 13.01036 25.50439 -0.001888 0.019246 -0.002342
C 5.56261 0.54323 29.61592 0.007106 -0.005031 -0.000712
C 2.84363 11.86877 24.51756 -0.023084 -0.008574 -0.001033
C 0.4434 13.62479 26.65644 -0.004125 -0.003484 0.002994
C 4.48617 15.13173 30.19894 0.018782 0.002431 -0.000645
C 6.65261 13.71988 28.9941 -0.001888 0.001359 -0.001058
C 5.94872 11.28182 26.32668 0.007114 -0.004004 -0.000464
C 4.49655 11.07268 26.11591 -0.010116 0.006569 -0.000265
C 1.84483 12.14949 28.13277 0.004803 -0.006741 0.000927
C 2.90604 1.39619 29.09864 0.011882 0.002472 -1e-05
C 2.20417 11.28171 26.95218 -0.008904 -0.005538 -0.001988
C 4.01957 11.45291 28.50961 -8.3e-05 0.00555 -0.000152
C 3.65635 11.07258 27.1626 0.010255 0.003046 -0.000304
C 4.01954 2.08485 28.50978 -0.000609 -0.003285 -0.001459
C 5.85707 14.40882 23.50343 0.011731 0.004724 -0.000702
C 1.06298 13.25018 27.97512 -0.008363 0.005608 -0.000957
C 6.25378 4.50977 25.14632 -0.005496 -0.012236 0.000438
C 5.47183 5.61041 25.30326 -0.01323 0.004641 -0.001718
C 0.61452 5.60346 29.9395 -0.005865 -0.00542 0.000236
C 5.71129 6.76897 24.49625 -0.014816 0.003752 0.000873
C 8.07578 6.04583 30.19896 -0.017786 -0.003904 -0.000576
C 4.85227 5.98502 26.62182 -0.000169 0.000465 -0.001336
C 5.90941 7.45767 28.99397 0.000994 -0.001316 -0.000442
C 6.34345 4.30099 27.6337 0.003033 -0.001967 0.000499
C 0.83746 4.50181 29.09864 -0.011962 -0.003696 -0.000318
C 7.25261 4.22891 28.76197 -0.009076 0.00459 -0.001146
C 0.61454 7.93428 29.93944 -0.006434 0.007388 -0.000151
C 5.52873 5.37053 27.77415 0.006135 0.005533 -0.001151
C 6.99935 5.35476 29.61594 -0.007313 0.004215 -0.000568
C 1.8091 4.30093 25.6455 -0.007563 -0.015524 0.004739
C 2.62366 5.37057 25.50447 0.00312 0.017369 -0.003187
C 6.99938 8.18301 29.61582 -0.005549 -0.005056 -0.000801
C 0.89989 4.22898 24.51797 0.019514 -0.019762 -0.001683
C 3.30012 5.98501 26.65644 0.004531 -0.003675 0.003825
C 8.07581 7.49194 30.19888 -0.019629 0.002933 -0.000748
C 5.90937 6.08009 28.99409 0.001946 0.001648 -0.000737
C 6.61326 3.64203 26.32684 -0.009837 -0.004876 -0.000791
C 8.06543 3.43289 26.11624 0.005231 0.005716 -0.008728
C 1.89869 4.50971 28.13291 -0.00425 -0.006649 0.001377
C 0.83748 9.03598 29.09856 -0.011591 0.001835 0.000217
C 1.53936 3.64193 26.95238 0.009639 -0.004878 -0.004063
C 8.54242 3.81312 28.50983 0.001105 0.003639 -0.001929
C 0.08718 3.43279 27.16271 -0.00559 0.004745 0.008762
C 8.54244 9.72464 28.50969 0.00087 -0.00326 -0.000995
C 6.70491 6.76904 23.50267 -0.019405 0.002644 -0.00152
C 2.68054 5.61039 27.97515 0.009714 0.005124 -0.000866
C 1.8448 1.38836 28.1329 0.003906 0.004549 -0.00025
C 1.06302 0.28761 27.97511 -0.008851 -0.003459 0.001038
C 5.0241 0.29468 23.3415 -0.009915 0.001846 -0.000916
C 1.30245 14.40869 28.78138 0.000906 -0.001597 0.000482
C 3.66691 15.13192 23.0885 0.01685 -0.049821 -0.000332
C 0.44342 15.19254 26.6565 -0.003607 0.007294 -0.002428
C 1.50051 13.71997 24.28496 -0.027567 -0.001495 0.000966
C 1.93453 1.59705 25.64549 0.008571 0.017293 -0.001484
C 5.24699 1.39633 24.18074 -0.002757 0.015771 -9.2e-05
C 2.84366 1.6692 24.5177 -0.012283 0.022592 0.000739
C 5.02406 13.24343 23.34087 -0.019453 0.010376 -0.000699
C 1.11991 0.52747 25.5044 -0.006171 -0.016362 0.002396
C 2.59045 0.54341 23.66469 -0.02949 0.008808 -3.6e-05
C 6.21854 1.5971 27.63372 -0.002606 0.002151 -0.001361
C 7.03323 0.5275 27.77415 -0.006695 -0.004769 -0.001373
C 2.59045 12.99463 23.66475 -0.030948 -0.019087 8.4e-05
C 5.30936 1.66909 28.76197 0.008964 -0.003089 -0.000373
C 7.70971 15.1926 26.62184 0.000454 0.002936 0.000492
C 3.66689 13.68577 23.08819 0.022866 0.044139 -0.00038
C 1.50054 15.09755 24.28505 -0.023285 -0.005039 -0.000435
C 2.20418 2.25613 26.95232 -0.007451 0.002371 0.001002
C 3.65634 2.46531 27.1628 0.008832 -0.003102 0.00389
C 6.3082 1.38837 25.14622 -0.000502 0.01494 -0.001253
C 5.24695 12.1418 24.18052 -0.008464 -0.030103 -0.000647
C 5.94874 2.25609 26.32679 0.009203 0.005051 0.000638
C 4.13345 2.08494 24.76934 0.000745 0.020502 0.000205
C 4.49656 2.46523 26.11618 -0.00954 -0.005991 -0.004405
C 4.13344 11.45313 24.76902 0.018143 -0.019502 -0.000266
C 2.29602 14.40866 29.77554 -0.001171 -0.00118 0.000163
C 7.0901 0.28767 25.3033 0.016069 -0.005932 -0.000823
168
energy=-1515.04508771 config_type=nep2xyz pbc="T T T" virial="-38.2790784788132 0.007611007466171741 -0.003616279790556739 0.007611007466171741 -43.474158746303 0.012026232791851482 -0.003616279790556739 0.012026232791851482 -4.947407151601671" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98714 0.008855 -0.007041 0.004656
C 1.47141 0.89094 19.98161 0.018047 0.005262 0.000503
C 2.93782 0.89094 19.97146 -0.004979 0.000232 -0.004775
C 3.67602 2.16424 19.98155 -0.004063 -0.013834 0.0003
C 0.73321 4.71084 19.97751 0.001957 0.00752 -0.002075
C 1.47141 3.43754 19.98548 -0.004737 0.009857 0.003028
C 2.93782 3.43754 19.98694 -0.000501 -0.005776 0.003952
C 3.67602 4.71084 19.98782 -0.005814 0.007116 0.005273
C 0.73321 7.25743 19.96236 0.008232 0.003374 -0.009073
C 1.47141 5.98413 19.97037 0.006135 0.000304 -0.005618
C 2.93782 5.98413 19.98185 -0.020458 -0.000277 0.000553
C 3.67602 7.25743 19.9847 0.00849 -0.000891 0.002131
C 0.73321 9.80403 19.98211 0.003712 -0.012596 0.000602
C 1.47141 8.53073 19.97292 0.004691 -0.003196 -0.004039
C 2.93782 8.53073 19.98252 -0.018907 0.002797 0.00106
C 3.67602 9.80403 19.98733 -0.006932 -0.004114 0.004698
C 0.73321 12.35062 19.98761 0.006763 0.007175 0.005029
C 1.47141 11.07732 19.98699 -0.000381 -0.005621 0.004006
C 2.93782 11.07732 19.98534 0.005341 0.010449 0.0028
C 3.67602 12.35062 19.97666 -0.004355 0.009017 -0.002518
C 0.73321 14.89722 19.98442 -0.004326 -0.001072 0.00187
C 1.47141 13.62392 19.98075 0.021303 0.000585 -0.000203
C 2.93782 13.62392 19.96855 -0.007296 -0.006723 -0.006498
C 3.67602 14.89722 19.96124 -0.000694 0.004941 -0.009645
C 5.14244 2.16424 19.98348 -0.001341 0.000714 0.001982
C 5.88064 0.89094 19.97776 3.6e-05 -0.011857 -0.001446
C 7.34705 0.89094 19.98539 -0.008728 0.000144 0.00393
C 8.08525 2.16424 19.98833 -0.004136 -0.002017 0.00659
C 5.14244 4.71084 19.98833 0.004553 0.008232 0.006434
C 5.88064 3.43754 19.98826 -0.004851 -0.009254 0.006352
C 7.34705 3.43754 19.9868 0.009626 0.011016 0.005383
C 8.08525 4.71084 19.97869 0.005755 -0.004991 -0.000955
C 5.14244 7.25743 19.98549 -0.004409 -0.003128 0.003165
C 5.88064 5.98413 19.98327 0.006209 0.003494 0.002237
C 7.34705 5.98413 19.97381 0.001916 0.01592 -0.003979
C 8.08525 7.25743 19.96468 -0.010484 -0.005571 -0.008034
C 5.14244 9.80403 19.98796 0.005454 -0.004778 0.005892
C 5.88064 8.53073 19.98417 0.007585 0.001067 0.002961
C 7.34705 8.53073 19.97636 -0.003461 -0.013472 -0.002272
C 8.08525 9.80403 19.98314 0.002146 0.002123 0.001759
C 5.14244 12.35062 19.97903 -0.004994 -0.00637 -0.000907
C 5.88064 11.07732 19.9868 -0.009763 0.011821 0.005286
C 7.34705 11.07732 19.9883 0.005397 -0.010142 0.006401
C 8.08525 12.35062 19.98873 -0.004095 0.008086 0.006722
C 5.14244 14.89722 19.96593 0.007258 -0.00614 -0.007626
C 5.88064 13.62392 19.97524 -0.002877 0.015484 -0.003186
C 7.34705 13.62392 19.9845 -0.007156 0.001544 0.003189
C 8.08525 14.89722 19.98647 0.003198 -0.002717 0.00394
C 2.13628 9.2657 28.1329 -0.004916 0.005038 0.002267
C 2.91807 8.16496 27.97522 0.01098 -0.002511 -0.002878
C 7.77545 8.17203 23.34088 0.015391 -0.000176 -0.000828
C 2.67864 7.00646 28.78139 -0.002154 -0.001239 0.003304
C 0.31417 7.72969 23.089 -0.014506 -0.066842 -0.000255
C 3.53767 7.79032 26.6565 0.005528 0.00683 0.004208
C 2.48058 6.31774 24.28527 0.03012 0.003839 -0.001285
C 2.04655 9.4744 25.64552 -0.008254 0.016921 0.001214
C 7.55255 9.27368 24.18045 0.002339 0.022756 -0.000474
C 1.13743 9.54655 24.51771 0.016088 0.023567 0.000373
C 7.77548 5.84121 23.34109 0.028884 0.009492 -0.000905
C 2.86118 8.40481 25.50459 0.005119 -0.014568 -0.001651
C 1.39064 8.42076 23.66494 0.023712 0.011874 1e-05
C 6.581 9.47445 27.63361 0.002591 0.001964 -0.003459
C 5.76632 8.40484 27.77396 0.008269 -0.005351 0.001377
C 1.39064 5.59241 23.66526 0.019362 -0.011236 -0.000323
C 7.49018 9.54644 28.76186 -0.009912 -0.00413 0.000526
C 5.08984 7.79037 26.62171 0.000269 0.002831 -0.00336
C 0.31419 6.28355 23.08929 -0.021891 0.054484 -0.000221
C 2.48054 7.69533 24.28519 0.025038 -0.004435 0.001076
C 1.77691 10.13348 26.95238 0.008043 0.002545 -0.002368
C 0.32475 10.34266 27.16278 -0.010949 -0.002968 0.002384
C 6.49135 9.26572 25.1459 0.004582 0.014598 -0.000999
C 7.5526 4.73958 24.18052 0.005019 -0.034465 0.000493
C 6.85081 10.13343 26.32662 -0.008628 0.004198 0.000256
C 8.6661 9.96229 24.76926 -0.006136 0.017366 -0.001142
C 8.30299 10.34257 26.11608 0.010016 -0.007294 -0.001279
C 8.66611 4.0509 24.76919 -0.013426 -0.014992 -0.002017
C 1.68507 7.00644 29.77559 0.001201 -0.002006 -0.000856
C 5.70945 8.16502 25.30299 -0.020151 -0.010794 -0.000642
C 6.54577 12.38712 25.14603 0.001443 -0.010481 -1e-06
C 7.32772 13.48775 25.30312 0.014987 0.004504 -0.003063
C 3.36657 13.48081 29.93949 0.005823 -0.006076 0.000152
C 7.08826 14.64632 24.49598 0.009364 0.002429 0.002868
C 4.72377 13.92318 30.19894 0.018751 -0.003965 -0.000759
C 7.94728 13.86236 26.62174 0.001584 -0.000332 -0.000941
C 6.89013 0.05545 28.99401 -0.001278 -0.002166 -0.001365
C 6.45609 12.17834 27.63366 -0.001778 -0.003408 -0.005722
C 3.14363 12.37915 29.09859 0.01226 -0.0033 0.000371
C 5.54694 12.10626 28.76182 0.009156 0.005317 0.001933
C 3.36654 0.53206 29.93949 0.006361 0.007325 0.000198
C 7.27081 13.24788 27.77403 -0.007486 0.006215 0.001505
C 5.8002 13.23211 29.61589 0.007095 0.003765 -0.001212
C 2.17199 12.17828 25.6456 0.009172 -0.013747 -0.006773
C 1.35742 13.24792 25.50458 -0.004733 0.016203 0.005085
C 5.80017 0.78079 29.61584 0.005955 -0.00488 -0.001219
C 3.08119 12.10633 24.51762 -0.026102 -0.015347 0.003511
C 0.68096 13.86236 26.65666 -0.006327 -0.003213 -0.002752
C 4.72373 0.08971 30.19889 0.020001 0.003505 -0.00079
C 6.89017 13.95744 28.99406 -0.001626 0.001826 -0.001669
C 6.18628 11.51938 26.32658 0.008308 -0.003681 0.001881
C 4.73411 11.31024 26.11598 -0.009665 0.006612 -0.002742
C 2.08239 12.38705 28.13291 0.00489 -0.007378 -0.000678
C 3.1436 1.63375 29.09863 0.011574 0.002527 -0.000472
C 2.44173 11.51927 26.9522 -0.006906 -0.006003 0.004516
C 4.25713 11.69047 28.50971 -0.001093 0.004008 -0.002739
C 3.89391 11.31014 27.16263 0.009884 0.00337 0.003201
C 4.2571 2.32241 28.50973 -0.001628 -0.003423 -0.002133
C 6.09463 14.64639 23.50279 0.019531 0.002117 -0.002632
C 1.30054 13.48774 27.97523 -0.009153 0.005101 0.000193
C 6.49134 4.74734 25.14609 -0.001825 -0.010095 -0.001531
C 5.70939 5.84797 25.3031 -0.015476 0.005166 -0.001406
C 0.85208 5.84103 29.93946 -0.00572 -0.005956 0.00028
C 5.94885 7.00653 24.49604 -0.009378 0.001877 -0.000365
C 8.31334 6.28339 30.19887 -0.01877 -0.004267 -0.000774
C 5.08983 6.22258 26.6217 -0.00058 -0.000384 0.000236
C 6.14697 7.69523 28.99398 0.00059 -0.00106 -0.001616
C 6.58101 4.53856 27.63362 0.003298 -0.003129 -0.004382
C 1.07502 4.73937 29.09858 -0.012722 -0.003008 0.000147
C 7.49017 4.46647 28.76182 -0.009311 0.004358 0.001216
C 0.85211 8.17184 29.93947 -0.007006 0.006749 0.000267
C 5.76629 5.60809 27.77401 0.006779 0.006369 -1.1e-05
C 7.23691 5.59232 29.61584 -0.006422 0.003689 -0.001037
C 2.04666 4.53849 25.64561 -0.008986 -0.013336 -0.007879
C 2.86122 5.60813 25.50451 0.005209 0.015531 0.006573
C 7.23694 8.42057 29.61583 -0.006967 -0.005062 -0.001092
C 1.13745 4.46654 24.5177 0.022982 -0.019834 0.004327
C 3.53768 6.22257 26.65664 0.005333 -0.003868 -0.004538
C 8.31337 7.7295 30.19886 -0.0196 0.001901 -0.000764
C 6.14694 6.31765 28.99401 0.001462 0.002103 -0.001155
C 6.85082 3.87959 26.32661 -0.008167 -0.004251 0.001934
C 8.30299 3.67046 26.11603 0.008151 0.005492 -0.002302
C 2.13625 4.74727 28.13289 -0.004914 -0.007871 -0.000348
C 1.07504 9.27354 29.09863 -0.012314 0.003098 -0.000872
C 1.77692 3.87949 26.95219 0.009104 -0.00568 0.004787
C 8.77998 4.05068 28.50972 0.001693 0.003362 -0.002652
C 0.32474 3.67035 27.16264 -0.009198 0.003376 0.003566
C 8.78 9.9622 28.50974 0.000779 -0.003026 -0.001563
C 6.94247 7.0066 23.50262 -0.022801 0.002718 -0.001281
C 2.9181 5.84795 27.97519 0.009698 0.004898 0.000465
C 2.08236 1.62592 28.13289 0.00492 0.005317 0.001613
C 1.30058 0.52518 27.97526 -0.01158 -0.003184 -0.00183
C 5.26166 0.53224 23.34076 -0.013184 0.003303 -0.000402
C 1.54001 14.64625 28.78146 0.001817 -0.001354 0.002876
C 3.90447 0.08991 23.08877 0.013525 -0.057259 -0.00027
C 0.68098 0.15053 26.6566 -0.005394 0.006415 0.001798
C 1.73807 13.95753 24.28533 -0.027374 0.003252 -0.000888
C 2.1721 1.83461 25.64556 0.006759 0.016379 -0.000101
C 5.48456 1.6339 24.18048 -0.00488 0.020676 -0.001812
C 3.08122 1.90676 24.51767 -0.018668 0.021195 0.000629
C 5.26162 13.48099 23.34068 -0.023265 0.006261 -0.00053
C 1.35747 0.76503 25.50465 -0.003807 -0.014287 0.000256
C 2.82801 0.78097 23.665 -0.023873 0.010464 3.9e-05
C 6.4561 1.83466 27.63362 -0.002461 0.002556 -0.003262
C 7.27079 0.76506 27.774 -0.007839 -0.005278 0.000487
C 2.82801 13.2322 23.66518 -0.020991 -0.012851 -0.000148
C 5.54692 1.90665 28.76183 0.008311 -0.004516 0.000718
C 7.94727 0.15059 26.62172 0.000151 0.002464 -0.001124
C 3.90445 13.92333 23.08884 0.019797 0.048059 -0.000288
C 1.7381 0.05554 24.28532 -0.024507 -0.007382 0.000427
C 2.44174 2.49369 26.95236 -0.007158 0.003175 -0.001425
C 3.8939 2.70288 27.16274 0.010065 -0.003676 0.003461
C 6.54576 1.62593 25.14595 -0.002961 0.013352 0.000561
C 5.48451 12.37936 24.18044 -0.007922 -0.031622 -0.001131
C 6.1863 2.49365 26.32664 0.008319 0.004087 -0.000158
C 4.37101 2.3225 24.7692 0.009247 0.017981 -0.000336
C 4.73412 2.70279 26.11607 -0.010009 -0.006503 -0.002444
C 4.371 11.69069 24.76907 0.019035 -0.016043 -0.001018
C 2.53358 14.64622 29.77565 -0.001103 -0.000784 -0.000758
C 7.32766 0.52523 25.30309 0.017197 -0.009477 -0.003302
168
energy=-1515.04529118 config_type=nep2xyz pbc="T T T" virial="-38.26322571740576 -0.004499324855692687 0.0027752844904272646 -0.004499324855692687 -43.454521506044976 0.006223365220958109 0.0027752844904272646 0.006223365220958109 -4.954177163767713" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98766 0.006734 -0.004604 0.004956
C 1.47141 0.89094 19.98232 0.019411 0.002186 0.000832
C 2.93782 0.89094 19.97208 -0.005583 -0.002118 -0.004643
C 3.67602 2.16424 19.9803 -0.002052 -0.009725 -0.000546
C 0.73321 4.71084 19.97903 0.004238 0.013221 -0.001227
C 1.47141 3.43754 19.98625 -0.002448 0.007178 0.003433
C 2.93782 3.43754 19.98643 0.002478 -0.00816 0.003624
C 3.67602 4.71084 19.9873 -0.008461 0.008687 0.004858
C 0.73321 7.25743 19.96083 -0.003051 -0.00078 -0.009768
C 1.47141 5.98413 19.96949 0.005808 -0.00496 -0.005907
C 2.93782 5.98413 19.98071 -0.019355 -0.001592 -7.9e-05
C 3.67602 7.25743 19.98415 0.003262 -0.001214 0.001611
C 0.73321 9.80403 19.97928 0.004633 -0.011936 -0.000988
C 1.47141 8.53073 19.96966 0.00653 0.005958 -0.005738
C 2.93782 8.53073 19.98081 -0.019293 0.003593 -3.9e-05
C 3.67602 9.80403 19.98735 -0.008506 -0.007102 0.00486
C 0.73321 12.35062 19.98761 0.00682 0.006498 0.005013
C 1.47141 11.07732 19.9863 -0.002144 -0.008741 0.003519
C 2.93782 11.07732 19.98637 0.002706 0.006535 0.003545
C 3.67602 12.35062 19.98007 -0.001785 0.011012 -0.000659
C 0.73321 14.89722 19.98457 -0.009398 -0.001157 0.002051
C 1.47141 13.62392 19.98225 0.019586 -0.000668 0.000895
C 2.93782 13.62392 19.97192 -0.005002 0.003217 -0.004613
C 3.67602 14.89722 19.96243 -0.008761 -0.000992 -0.008893
C 5.14244 2.16424 19.98117 -0.004409 0.004327 0.000583
C 5.88064 0.89094 19.97481 0.002114 -0.01432 -0.003267
C 7.34705 0.89094 19.98333 -0.005854 -0.000129 0.002325
C 8.08525 2.16424 19.98811 -0.005404 -0.00625 0.00604
C 5.14244 4.71084 19.98865 0.004569 0.005952 0.006765
C 5.88064 3.43754 19.98778 -0.007736 -0.01171 0.006167
C 7.34705 3.43754 19.9877 0.007717 0.009717 0.005952
C 8.08525 4.71084 19.98148 0.003442 -0.002612 0.000701
C 5.14244 7.25743 19.98658 -0.002764 -0.001192 0.004018
C 5.88064 5.98413 19.98516 0.00789 0.001329 0.003843
C 7.34705 5.98413 19.97684 0.002236 0.014168 -0.002052
C 8.08525 7.25743 19.96621 -0.005874 -0.001944 -0.007409
C 5.14244 9.80403 19.98869 0.00412 -0.003885 0.006869
C 5.88064 8.53073 19.98522 0.007927 0.000469 0.003832
C 7.34705 8.53073 19.977 0.001593 -0.012676 -0.001946
C 8.08525 9.80403 19.98171 0.003303 0.003677 0.000841
C 5.14244 12.35062 19.98093 -0.004592 -0.002972 0.000377
C 5.88064 11.07732 19.98772 -0.007946 0.009763 0.006083
C 7.34705 11.07732 19.98775 0.00744 -0.01162 0.006005
C 8.08525 12.35062 19.98806 -0.005679 0.008122 0.00615
C 5.14244 14.89722 19.9642 0.011193 -0.001713 -0.008106
C 5.88064 13.62392 19.97463 0.001248 0.015546 -0.00334
C 7.34705 13.62392 19.98326 -0.005964 0.002132 0.002276
C 8.08525 14.89722 19.98506 0.004681 -0.001181 0.002892
C 2.37384 9.50326 28.13294 -0.00474 0.005131 0.000783
C 3.15563 8.40252 27.97528 0.011573 -0.003236 -0.000957
C 8.01301 8.40959 23.34051 0.01745 0.000632 -5.2e-05
C 2.9162 7.24402 28.78147 -0.001925 -0.001766 0.003114
C 0.55173 7.96725 23.08887 -0.014436 -0.052326 -0.000269
C 3.77523 8.02788 26.65668 0.005819 0.007784 -0.000625
C 2.71814 6.5553 24.28545 0.026868 0.007771 -0.000941
C 2.28411 9.71196 25.64566 -0.008415 0.016546 -0.003372
C 7.79011 9.51124 24.18042 0.008771 0.022885 -0.003008
C 1.37499 9.78411 24.51766 0.02241 0.017748 0.001883
C 8.01304 6.07877 23.3405 0.018082 -0.000251 -0.000151
C 3.09874 8.64237 25.5047 0.004072 -0.013998 0.002759
C 1.6282 8.65832 23.66521 0.020353 0.010501 -6.2e-05
C 6.81856 9.71201 27.63362 0.00224 0.002203 -0.001913
C 6.00388 8.6424 27.77406 0.008226 -0.004502 -0.001283
C 1.6282 5.82997 23.66514 0.021103 -0.011666 -0.000205
C 7.72774 9.784 28.76188 -0.008026 -0.00376 0.00031
C 5.3274 8.02793 26.6217 -0.000273 0.003357 0.001462
C 0.55175 6.52111 23.08887 -0.015056 0.050249 -0.000313
C 2.7181 7.93289 24.28546 0.026717 -0.008165 -0.000171
C 2.01447 10.37104 26.95235 0.007458 0.004658 0.001307
C 0.56231 10.58022 27.16271 -0.010682 -0.004601 0.00348
C 6.72891 9.50328 25.14592 0.000687 0.010899 0.002883
C 7.79016 4.97714 24.18041 0.009172 -0.027616 -0.002578
C 7.08837 10.371 26.32663 -0.007245 0.004046 -0.002111
C 0.0852 10.19985 24.7691 -0.017011 0.017515 -0.000104
C 8.54055 10.58013 26.11605 0.009368 -0.006642 -0.002485
C 0.08521 4.28846 24.76902 -0.015952 -0.017983 -0.000803
C 1.92263 7.244 29.77567 0.001224 -0.002059 -0.000939
C 5.94701 8.40258 25.30317 -0.015592 -0.006852 -0.006345
C 6.78333 12.62468 25.14589 -0.001889 -0.01427 -0.002126
C 7.56528 13.72531 25.30291 0.018634 0.009805 -0.000535
C 3.60413 13.71837 29.93944 0.006385 -0.006318 0.000182
C 7.32582 14.88388 24.49595 0.009306 -0.000496 -0.000763
C 4.96133 14.16074 30.19885 0.019528 -0.004264 -0.00082
C 8.18484 14.09992 26.62163 0.000469 -0.000958 -0.002082
C 7.12769 0.29301 28.99397 -0.001276 -0.001476 -0.001737
C 6.69366 12.4159 27.63354 -0.002221 -0.00307 -0.006449
C 3.38119 12.61671 29.09856 0.011654 -0.003422 -3.5e-05
C 5.7845 12.34382 28.76171 0.008676 0.00564 0.001957
C 3.6041 0.76962 29.9395 0.004729 0.006938 0.000209
C 7.50837 13.48544 27.7739 -0.006917 0.00706 0.001838
C 6.03776 13.46967 29.61577 0.006581 0.003614 -0.001263
C 2.40955 12.41584 25.64553 0.008727 -0.014798 -0.004191
C 1.59498 13.48548 25.50457 -0.006085 0.01534 0.003081
C 6.03773 1.01835 29.61584 0.006258 -0.003806 -0.00128
C 3.31875 12.34389 24.51765 -0.021375 -0.023138 0.002531
C 0.91852 14.09992 26.65659 -0.006485 -0.003365 -0.00097
C 4.96129 0.32728 30.19889 0.020625 0.003096 -0.000754
C 7.12773 14.195 28.99395 -0.001543 0.001813 -0.001702
C 6.42384 11.75694 26.32646 0.008831 -0.004528 0.003261
C 4.97167 11.5478 26.11594 -0.009525 0.00721 -0.001988
C 2.31995 12.62461 28.13286 0.004315 -0.006342 0.000508
C 3.38116 1.87131 29.09865 0.010943 0.002407 -0.000352
C 2.67929 11.75684 26.95225 -0.00653 -0.004663 0.001937
C 4.49469 11.92803 28.50965 -0.002264 0.00393 -0.002581
C 4.13147 11.5477 27.16262 0.009876 0.00234 0.002991
C 4.49466 2.55997 28.50976 -0.000877 -0.002497 -0.001923
C 6.33219 14.88395 23.50249 0.023436 -0.000433 -0.001211
C 1.53811 13.7253 27.9752 -0.010683 0.003602 -0.000768
C 6.7289 4.9849 25.14586 -0.00014 -0.01206 0.002095
C 5.94695 6.08553 25.30308 -0.016177 0.008066 -0.005509
C 1.08964 6.07859 29.93948 -0.006473 -0.006879 0.000211
C 6.18641 7.2441 24.4959 -0.010764 -0.000749 0.006481
C 8.5509 6.52095 30.19888 -0.018747 -0.005197 -0.000808
C 5.32739 6.46014 26.6217 -0.001034 -0.000746 -0.000354
C 6.38454 7.93279 28.99407 0.001279 -0.001113 -0.001082
C 6.81857 4.77612 27.63358 0.00374 -0.00287 -0.004419
C 1.31258 4.97693 29.09857 -0.01266 -0.002894 3.8e-05
C 7.72773 4.70403 28.76179 -0.008792 0.004301 0.001406
C 1.08967 8.4094 29.9395 -0.00604 0.006394 0.000281
C 6.00385 5.84565 27.77399 0.007945 0.006587 0.000979
C 7.47447 5.82988 29.61583 -0.005857 0.003847 -0.001264
C 2.28422 4.77605 25.64557 -0.008806 -0.013453 -0.006821
C 3.09879 5.84569 25.50462 0.004964 0.014653 0.005111
C 7.4745 8.65813 29.61591 -0.006856 -0.004384 -0.001159
C 1.37501 4.7041 24.51752 0.023753 -0.016907 0.003416
C 3.77524 6.46013 26.6567 0.006023 -0.00359 -0.002328
C 8.55093 7.96706 30.19891 -0.019571 0.00182 -0.000793
C 6.3845 6.55521 28.99404 0.000793 0.000593 -0.001646
C 7.08839 4.11715 26.32652 -0.006919 -0.003915 -0.000183
C 8.54055 3.90802 26.11591 0.00939 0.006781 -0.001983
C 2.37382 4.98483 28.13291 -0.00508 -0.008278 -0.000331
C 1.3126 9.5111 29.09864 -0.012061 0.00306 -0.000435
C 2.01448 4.11705 26.95221 0.008218 -0.005091 0.004361
C 0.19908 4.28824 28.50965 0.001099 0.004826 -0.00249
C 0.5623 3.90791 27.16257 -0.010512 0.002632 0.002632
C 0.1991 10.19976 28.50975 -0.001031 -0.003031 -0.00226
C 7.18003 7.24416 23.50278 -0.017389 0.000211 -0.004056
C 3.15566 6.08551 27.97527 0.011464 0.004838 -0.000122
C 2.31992 1.86348 28.13292 0.004824 0.005516 0.001625
C 1.53814 0.76274 27.97524 -0.011954 -0.004119 -0.001709
C 5.49922 0.7698 23.3409 -0.023946 -0.004756 -0.00082
C 1.77757 14.88381 28.78142 0.001874 -0.001733 0.003258
C 4.14204 0.32747 23.08943 0.016927 -0.063957 -0.000222
C 0.91854 0.38809 26.65661 -0.006643 0.007417 0.001449
C 1.97563 14.19509 24.28533 -0.028805 0.007005 -0.000275
C 2.40966 2.07217 25.64565 0.00737 0.016252 -0.00069
C 5.72212 1.87146 24.18044 -0.002888 0.029605 -0.000104
C 3.31878 2.14432 24.51781 -0.021031 0.022965 0.001236
C 5.49918 13.71855 23.34087 -0.023285 0.006144 -0.000922
C 1.59503 1.00259 25.50467 -0.004568 -0.013795 0.000808
C 3.06557 1.01853 23.66522 -0.019459 0.011478 2.4e-05
C 6.69366 2.07222 27.6336 -0.002189 0.002977 -0.005368
C 7.50835 1.00262 27.77393 -0.008482 -0.005135 0.001865
C 3.06557 13.46976 23.66514 -0.019567 -0.011282 -0.00013
C 5.78449 2.14421 28.7618 0.009427 -0.006187 0.001536
C 8.18483 0.38815 26.62168 0.000892 0.002792 -0.00275
C 4.14201 14.16089 23.08942 0.017905 0.061238 -0.000261
C 1.97566 0.2931 24.28536 -0.029949 -0.007061 0.000333
C 2.6793 2.73125 26.95241 -0.007864 0.00446 -0.000901
C 4.13146 2.94044 27.16279 0.011109 -0.004576 0.00202
C 6.78332 1.86349 25.14596 -0.001641 0.011131 -0.001621
C 5.72207 12.61692 24.18039 -0.002574 -0.032206 0.000208
C 6.42386 2.73121 26.32657 0.007805 0.004226 0.001954
C 4.60857 2.56006 24.76921 0.011052 0.015902 -0.001607
C 4.97168 2.94035 26.11607 -0.010116 -0.006146 -0.00077
C 4.60856 11.92825 24.76912 0.012294 -0.016237 -0.001859
C 2.77114 14.88378 29.7756 -0.001463 -0.000262 -0.000722
C 7.56522 0.76279 25.30299 0.018021 -0.007895 -0.000513
168
energy=-1515.04574721 config_type=nep2xyz pbc="T T T" virial="-38.23702871380672 0.03746634062076807 0.0010932938901683164 0.03746634062076807 -43.45447945627997 0.009587346421476005 0.0010932938901683164 0.009587346421476005 -4.9658669984395125" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98816 0.004622 -0.006075 0.00544
C 1.47141 0.89094 19.98356 0.016351 0.002781 0.001725
C 2.93782 0.89094 19.9738 -0.003414 -0.00877 -0.004006
C 3.67602 2.16424 19.97929 0.000855 -0.001531 -0.001038
C 0.73321 4.71084 19.98083 0.005397 0.014772 0.000117
C 1.47141 3.43754 19.98701 0.000116 0.00552 0.004347
C 2.93782 3.43754 19.98594 0.00548 -0.011534 0.003612
C 3.67602 4.71084 19.9868 -0.011835 0.013121 0.004828
C 0.73321 7.25743 19.96042 -0.010091 -0.007894 -0.009892
C 1.47141 5.98413 19.96982 0.003596 -0.002623 -0.005473
C 2.93782 5.98413 19.98018 -0.015166 -0.007379 -0.000161
C 3.67602 7.25743 19.98384 -0.001696 5.5e-05 0.001408
C 0.73321 9.80403 19.97612 0.007465 -0.008707 -0.00253
C 1.47141 8.53073 19.96688 0.007078 0.015523 -0.007099
C 2.93782 8.53073 19.97927 -0.018842 0.000982 -0.000912
C 3.67602 9.80403 19.98727 -0.008231 -0.006513 0.004873
C 0.73321 12.35062 19.9876 0.005442 0.002441 0.004951
C 1.47141 11.07732 19.98544 -0.006201 -0.012623 0.003046
C 2.93782 11.07732 19.98718 0.003419 0.004119 0.004148
C 3.67602 12.35062 19.983 -0.003799 0.009924 0.001072
C 0.73321 14.89722 19.98502 -0.013753 -0.001278 0.002649
C 1.47141 13.62392 19.98396 0.0182 0.002032 0.002188
C 2.93782 13.62392 19.97557 -0.002323 0.009765 -0.00273
C 3.67602 14.89722 19.96472 -0.016407 -0.002948 -0.007857
C 5.14244 2.16424 19.97846 -0.005275 0.002286 -0.000973
C 5.88064 0.89094 19.97151 0.002325 -0.010791 -0.00512
C 7.34705 0.89094 19.98104 -0.00504 -0.003896 0.000605
C 8.08525 2.16424 19.98757 -0.005418 -0.00591 0.005567
C 5.14244 4.71084 19.98871 0.003331 0.00045 0.00697
C 5.88064 3.43754 19.98685 -0.008941 -0.011083 0.005476
C 7.34705 3.43754 19.98811 0.005071 0.005277 0.006094
C 8.08525 4.71084 19.98382 -0.000703 0.004223 0.002245
C 5.14244 7.25743 19.98743 -0.00162 -0.000501 0.004811
C 5.88064 5.98413 19.98673 0.009832 0.00338 0.005031
C 7.34705 5.98413 19.9795 0.003605 0.007517 -0.000314
C 8.08525 7.25743 19.96816 0.001431 0.003303 -0.006718
C 5.14244 9.80403 19.98913 0.002485 -0.00551 0.007132
C 5.88064 8.53073 19.98592 0.009067 0.002161 0.004466
C 7.34705 8.53073 19.97727 0.002108 -0.01015 -0.001928
C 8.08525 9.80403 19.97988 0.003132 0.007882 -0.00034
C 5.14244 12.35062 19.98242 -0.001745 -0.000295 0.001256
C 5.88064 11.07732 19.98822 -0.006142 0.009313 0.00625
C 7.34705 11.07732 19.98683 0.009973 -0.014111 0.005049
C 8.08525 12.35062 19.9872 -0.007901 0.010504 0.005108
C 5.14244 14.89722 19.96311 0.011138 0.000654 -0.008656
C 5.88064 13.62392 19.97378 0.006744 0.012969 -0.003639
C 7.34705 13.62392 19.98185 -0.005699 -0.001286 0.001186
C 8.08525 14.89722 19.98355 0.007061 0.001321 0.001692
C 2.6114 9.74082 28.13288 -0.005065 0.006017 -0.000104
C 3.39319 8.64008 27.97519 0.011198 -0.00401 -0.000116
C 8.25057 8.64715 23.34037 0.01523 -0.002133 2.8e-05
C 3.15376 7.48158 28.7814 -0.002329 -0.001743 0.002484
C 0.78929 8.20481 23.08824 -0.016087 -0.043136 -0.00038
C 4.01279 8.26544 26.65662 0.005435 0.007481 -0.002175
C 2.9557 6.79286 24.28529 0.025015 0.007759 -0.000101
C 2.52167 9.94952 25.64557 -0.007502 0.015885 -0.003831
C 8.02767 9.7488 24.1804 0.012115 0.022915 -0.003594
C 1.61255 10.02167 24.51756 0.025134 0.010047 0.001365
C 8.2506 6.31633 23.34078 0.011081 -0.004795 -3.4e-05
C 3.3363 8.87993 25.50457 0.002499 -0.015348 0.003407
C 1.86576 8.89588 23.66499 0.024651 0.014771 -1.3e-05
C 7.05613 9.94957 27.63364 0.002165 0.001797 -0.002532
C 6.24144 8.87996 27.77409 0.007266 -0.004508 -0.000955
C 1.86576 6.06753 23.6649 0.023677 -0.009975 3.7e-05
C 7.9653 10.02156 28.76185 -0.007764 -0.00407 0.000404
C 5.56496 8.26549 26.62174 -0.001632 0.003466 0.001725
C 0.78931 6.75867 23.08847 -0.013415 0.041699 -0.000331
C 2.95566 8.17045 24.28528 0.026729 -0.005367 -0.000642
C 2.25203 10.6086 26.95226 0.008249 0.004733 0.002384
C 0.79987 10.81778 27.16265 -0.010379 -0.004557 0.003483
C 6.96647 9.74084 25.14598 -0.002372 0.009579 0.002943
C 8.02772 5.2147 24.18055 0.008717 -0.020128 -0.003062
C 7.32593 10.60856 26.32664 -0.006907 0.003215 -0.0015
C 0.32276 10.43741 24.76898 -0.022217 0.018894 0.001009
C 8.77811 10.81769 26.11602 0.00866 -0.006972 -0.004087
C 0.32277 4.52603 24.7691 -0.011434 -0.020537 0.00026
C 2.16019 7.48156 29.7756 0.00161 -0.000677 -0.000748
C 6.18457 8.64014 25.30327 -0.01243 -0.002257 -0.006495
C 7.02089 12.86224 25.1459 -0.006241 -0.017371 -0.004422
C 7.80284 13.96287 25.30285 0.02116 0.014273 0.003181
C 3.84169 13.95593 29.93937 0.005353 -0.006206 0.000206
C 7.56338 15.12144 24.49623 0.012216 -0.003398 -0.006071
C 5.19889 14.3983 30.19889 0.018728 -0.004302 -0.000774
C 8.4224 14.33748 26.62167 0.000434 -0.001226 -0.004463
C 7.36525 0.53057 28.99406 -0.002443 -0.001213 -0.001478
C 6.93122 12.65346 27.63357 -0.00282 -0.003005 -0.005574
C 3.61875 12.85427 29.09849 0.010862 -0.002953 -0.000945
C 6.02206 12.58138 28.76177 0.008297 0.004786 0.001212
C 3.84166 1.00718 29.93946 0.003704 0.004971 0.000292
C 7.74593 13.723 27.77392 -0.007363 0.006875 0.002336
C 6.27532 13.70723 29.61579 0.005429 0.003606 -0.001113
C 2.64711 12.6534 25.64523 0.011487 -0.016499 0.001405
C 1.83254 13.72304 25.50431 -0.00608 0.016281 -0.001067
C 6.27529 1.25591 29.61591 0.006859 -0.004231 -0.001029
C 3.55632 12.58145 24.51756 -0.014226 -0.025936 0.000382
C 1.15608 14.33748 26.65635 -0.00534 -0.003221 0.002821
C 5.19886 0.56484 30.19892 0.019588 0.002587 -0.000784
C 7.36529 14.43256 28.99399 -0.001381 0.001656 -0.001768
C 6.6614 11.9945 26.3265 0.008714 -0.004182 0.003573
C 5.20923 11.78536 26.11594 -0.009301 0.007237 -0.001643
C 2.55751 12.86217 28.13272 0.005419 -0.006065 0.002359
C 3.61873 2.10887 29.09863 0.010498 0.002938 -0.000709
C 2.91685 11.9944 26.95218 -0.006468 -0.003792 -0.002473
C 4.73225 12.16559 28.50961 -0.003114 0.003355 -0.001635
C 4.36903 11.78526 27.16263 0.008757 0.002034 0.002362
C 4.73222 2.79753 28.5098 -0.001027 -0.003059 -0.001961
C 6.56975 15.12151 23.5026 0.020647 -0.001831 0.00089
C 1.77567 13.96286 27.97507 -0.01025 0.003737 -0.002907
C 6.96646 5.22246 25.14595 0.000955 -0.015897 0.002735
C 6.18451 6.32309 25.30314 -0.013925 0.009092 -0.005653
C 1.3272 6.31615 29.93946 -0.005305 -0.006649 0.000179
C 6.42397 7.48166 24.496 -0.013521 -0.002028 0.006664
C 8.78846 6.75851 30.19893 -0.019206 -0.004301 -0.000726
C 5.56495 6.6977 26.62173 -0.000979 -0.000948 -0.000762
C 6.6221 8.17035 28.99409 0.000884 -0.001032 -0.001138
C 7.05613 5.01368 27.6336 0.003227 -0.002149 -0.002905
C 1.55014 5.21449 29.09855 -0.01181 -0.002117 -5.3e-05
C 7.96529 4.94159 28.76184 -0.007752 0.004202 0.000786
C 1.32723 8.64696 29.93945 -0.0057 0.006874 0.000133
C 6.24141 6.08321 27.77405 0.007861 0.006386 0.000644
C 7.71203 6.06744 29.61588 -0.005783 0.003342 -0.001186
C 2.52178 5.01361 25.64544 -0.009151 -0.014756 -0.003201
C 3.33635 6.08325 25.50454 0.003045 0.015715 0.002085
C 7.71206 8.89569 29.6159 -0.006562 -0.004074 -0.001151
C 1.61257 4.94166 24.51749 0.019437 -0.016864 0.001549
C 4.01281 6.69769 26.65657 0.005799 -0.002725 4.5e-05
C 8.78849 8.20462 30.19892 -0.019578 0.002759 -0.000826
C 6.62206 6.79277 28.99409 0.002373 0.000522 -0.001495
C 7.32595 4.35471 26.32664 -0.007833 -0.003856 -0.001488
C 8.77811 4.14558 26.11599 0.008904 0.007108 -0.002857
C 2.61138 5.22239 28.13282 -0.004902 -0.006787 0.000222
C 1.55016 9.74866 29.09857 -0.012033 0.002664 -0.00034
C 2.25204 4.35461 26.9522 0.006162 -0.004944 0.001968
C 0.43664 4.5258 28.50968 0.001259 0.004256 -0.002325
C 0.79986 4.14547 27.16262 -0.009212 0.001837 0.003531
C 0.43666 10.43732 28.50967 0.00058 -0.003947 -0.002021
C 7.4176 7.48172 23.5031 -0.008719 -0.002689 -0.004209
C 3.39322 6.32307 27.97518 0.010868 0.004274 -0.000808
C 2.55748 2.10104 28.13288 0.005264 0.005576 0.00203
C 1.7757 1.0003 27.97514 -0.010533 -0.003653 -0.002329
C 5.73678 1.00736 23.34173 -0.032447 -0.016648 -0.001462
C 2.01513 15.12137 28.78127 0.002965 -0.001753 0.00408
C 4.3796 0.56503 23.0898 0.024287 -0.064238 -0.000207
C 1.1561 0.62565 26.65647 -0.005865 0.007665 0.001101
C 2.21319 14.43265 24.28491 -0.028292 0.005125 0.000684
C 2.64722 2.30973 25.64559 0.008069 0.016676 -0.000282
C 5.95968 2.10902 24.18062 0.001188 0.033973 0.002225
C 3.55634 2.38188 24.51791 -0.019159 0.026615 0.001444
C 5.73674 13.95612 23.34122 -0.017736 0.0089 -0.00146
C 1.83259 1.24015 25.50451 -0.005291 -0.015097 0.000584
C 3.30313 1.25609 23.66515 -0.019815 0.009809 -0.000104
C 6.93122 2.30978 27.63371 -0.002061 0.003219 -0.005273
C 7.74591 1.24018 27.77404 -0.006783 -0.005318 0.001429
C 3.30313 13.70732 23.66463 -0.02588 -0.017477 3.4e-05
C 6.02205 2.38177 28.76189 0.009014 -0.005628 0.001246
C 8.42239 0.62571 26.62176 0.001136 0.003275 -0.003063
C 4.37957 14.39846 23.08929 0.018687 0.074293 -0.000281
C 2.21322 0.53066 24.28509 -0.033876 -0.00413 0.000304
C 2.91686 2.96881 26.95238 -0.008006 0.003777 -0.00134
C 4.36902 3.178 27.16281 0.009623 -0.004892 0.003361
C 7.02088 2.10105 25.14624 0.001758 0.010885 -0.004565
C 5.95963 12.85448 24.18045 0.003337 -0.03064 0.001794
C 6.66142 2.96877 26.32669 0.008323 0.004044 0.00384
C 4.84613 2.79762 24.76935 0.006475 0.014923 -0.00228
C 5.20924 3.17791 26.11617 -0.006904 -0.00501 -0.001965
C 4.84612 12.16581 24.76919 0.002054 -0.017505 -0.001901
C 3.0087 15.12134 29.7755 -0.002336 -0.000665 -0.001088
C 7.80278 1.00035 25.3031 0.016339 -0.004132 0.003061
168
energy=-1515.04649126 config_type=nep2xyz pbc="T T T" virial="-38.22050315615918 0.11366051481249843 0.0049198225057574246 0.11366051481249843 -43.475167940663155 0.007274609346119952 0.0049198225057574246 0.007274609346119952 -4.978944475356526" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.989 0.001709 -0.011063 0.004925
C 1.47141 0.89094 19.98525 0.010427 0.006039 0.002474
C 2.93782 0.89094 19.97597 0.001648 -0.015332 -0.001963
C 3.67602 2.16424 19.97837 0.002966 0.00812 -0.00068
C 0.73321 4.71084 19.98271 0.005773 0.01241 0.001419
C 1.47141 3.43754 19.98806 0.003059 0.006197 0.004337
C 2.93782 3.43754 19.98585 0.008508 -0.016326 0.003299
C 3.67602 4.71084 19.98684 -0.014781 0.018464 0.004047
C 0.73321 7.25743 19.96008 -0.01043 -0.015606 -0.007364
C 1.47141 5.98413 19.97073 0.000982 0.005675 -0.003306
C 2.93782 5.98413 19.98032 -0.010286 -0.015077 0.000321
C 3.67602 7.25743 19.98369 -0.005269 0.004671 0.001153
C 0.73321 9.80403 19.97262 0.008887 -0.004428 -0.003034
C 1.47141 8.53073 19.96391 0.007094 0.021269 -0.006096
C 2.93782 8.53073 19.97759 -0.015356 -0.003863 -0.001264
C 3.67602 9.80403 19.98721 -0.00712 -0.003804 0.003665
C 0.73321 12.35062 19.98797 0.003719 -0.003814 0.003993
C 1.47141 11.07732 19.98459 -0.009728 -0.014497 0.001986
C 2.93782 11.07732 19.98794 0.006076 0.002134 0.003607
C 3.67602 12.35062 19.98552 -0.008793 0.007796 0.002395
C 0.73321 14.89722 19.98597 -0.016222 -0.002549 0.002847
C 1.47141 13.62392 19.98601 0.016219 0.006779 0.00309
C 2.93782 13.62392 19.97921 0.001174 0.010197 -3.7e-05
C 3.67602 14.89722 19.96741 -0.017987 0.00011 -0.004603
C 5.14244 2.16424 19.97539 -0.00423 -0.005169 -0.001496
C 5.88064 0.89094 19.96775 0.003042 -0.001787 -0.004903
C 7.34705 0.89094 19.97873 -0.00795 -0.008908 -0.000467
C 8.08525 2.16424 19.9871 -0.004511 -0.000592 0.004016
C 5.14244 4.71084 19.98909 0.001972 -0.0058 0.005653
C 5.88064 3.43754 19.98593 -0.008235 -0.008167 0.003822
C 7.34705 3.43754 19.98846 0.003259 -0.002607 0.004837
C 8.08525 4.71084 19.98584 -0.004671 0.011286 0.003003
C 5.14244 7.25743 19.98826 -0.001142 -0.002844 0.004191
C 5.88064 5.98413 19.98823 0.008993 0.008743 0.004888
C 7.34705 5.98413 19.98168 0.005949 -0.000224 0.001078
C 8.08525 7.25743 19.96951 0.007028 0.007556 -0.004457
C 5.14244 9.80403 19.98966 -0.000275 -0.009113 0.005559
C 5.88064 8.53073 19.98645 0.011877 0.005322 0.003679
C 7.34705 8.53073 19.97698 -0.002195 -0.008106 -0.001469
C 8.08525 9.80403 19.97779 0.002136 0.013686 -0.00115
C 5.14244 12.35062 19.98378 0.002783 0.002107 0.001873
C 5.88064 11.07732 19.9888 -0.004265 0.010056 0.005042
C 7.34705 11.07732 19.9861 0.012877 -0.018063 0.003261
C 8.08525 12.35062 19.98677 -0.01064 0.014477 0.003391
C 5.14244 14.89722 19.96239 0.007812 -0.002242 -0.006492
C 5.88064 13.62392 19.97307 0.00883 0.009709 -0.002597
C 7.34705 13.62392 19.98083 -0.005661 -0.006962 0.000465
C 8.08525 14.89722 19.98231 0.009284 0.003791 0.000906
C 2.84896 9.97838 28.13272 -0.005289 0.005815 4.8e-05
C 3.63075 8.87764 27.97501 0.010216 -0.004767 -0.000505
C 8.48813 8.88471 23.34063 0.012243 -0.009435 -0.000517
C 3.39132 7.71914 28.7813 -0.00139 -0.000592 0.000908
C 1.02685 8.44238 23.08772 -0.020134 -0.04633 -0.000506
C 4.25035 8.503 26.65638 0.005032 0.007562 -1.1e-05
C 3.19326 7.03042 24.28496 0.026956 0.006182 -5.6e-05
C 2.75923 10.18708 25.64525 -0.009116 0.017732 0.000448
C 8.26523 9.98636 24.18039 0.009834 0.023942 -0.001718
C 1.85011 10.25923 24.51742 0.020945 0.006441 -0.000778
C 8.48817 6.55389 23.34174 0.011323 -0.000382 -0.000308
C 3.57386 9.11749 25.50426 0.002164 -0.018295 -0.000228
C 2.10332 9.13344 23.66439 0.034979 0.022661 -0.000118
C 7.29369 10.18713 27.63356 0.002662 0.002777 -0.001209
C 6.479 9.11753 27.77406 0.005832 -0.004982 -0.000941
C 2.10332 6.30509 23.6646 0.028056 -0.008591 4.7e-05
C 8.20286 10.25912 28.76178 -0.008079 -0.003845 -0.000354
C 5.80252 8.50305 26.62176 -0.00213 0.003938 6.7e-05
C 1.02688 6.99623 23.08851 -0.019813 0.037031 -0.000412
C 3.19323 8.40801 24.28481 0.02764 -0.001056 9.4e-05
C 2.48959 10.84616 26.95213 0.00721 0.004136 -0.000841
C 1.03743 11.05534 27.16257 -0.008722 -0.00434 0.003907
C 7.20403 9.9784 25.14603 -0.003909 0.009061 0.000475
C 8.26528 5.45226 24.18083 0.003461 -0.017004 -0.001423
C 7.56349 10.84612 26.32659 -0.006582 0.002633 -0.000918
C 0.56032 10.67497 24.76892 -0.01676 0.021754 0.001113
C 0.19721 11.05525 26.11593 0.009573 -0.006918 -0.004947
C 0.56033 4.76359 24.7693 -0.000979 -0.022008 -0.000609
C 2.39775 7.71912 29.77547 0.001093 0.000373 -0.000311
C 6.42213 8.8777 25.30327 -0.012112 0.000522 -0.002326
C 7.25845 13.0998 25.14576 -0.006903 -0.019876 -0.003823
C 8.0404 14.20044 25.30284 0.021005 0.016598 0.002903
C 4.07925 14.19349 29.93927 0.005419 -0.006216 3.4e-05
C 7.80094 0.07943 24.49641 0.018428 -0.004451 -0.005325
C 5.43645 14.63586 30.19881 0.018683 -0.005183 -0.00073
C 8.65996 14.57505 26.62164 0.000231 -0.001811 -0.003701
C 7.60281 0.76813 28.99409 -0.000785 -0.00119 -0.000948
C 7.16878 12.89102 27.63346 -0.003714 -0.002841 -0.003933
C 3.85631 13.09183 29.09836 0.010748 -0.001866 -0.001159
C 6.25962 12.81894 28.7617 0.008417 0.004246 0.000267
C 4.07922 1.24474 29.93945 0.003922 0.004782 0.000104
C 7.98349 13.96056 27.77391 -0.006533 0.00598 0.001313
C 6.51288 13.94479 29.61571 0.004669 0.003094 -0.000957
C 2.88467 12.89096 25.64499 0.012199 -0.015558 0.001887
C 2.0701 13.9606 25.50401 -0.005496 0.018159 -0.002002
C 6.51285 1.49347 29.61595 0.008347 -0.004773 -0.000722
C 3.79388 12.81901 24.51737 -0.009382 -0.021059 -0.000654
C 1.39364 14.57504 26.65617 -0.00406 -0.003968 0.002703
C 5.43642 0.8024 30.19892 0.018698 0.001141 -0.000567
C 7.60285 14.67012 28.99395 -0.001242 0.000726 -0.00134
C 6.89896 12.23206 26.32641 0.008054 -0.003384 0.003181
C 5.4468 12.02292 26.11589 -0.007751 0.008771 -0.007216
C 2.79507 13.09973 28.13257 0.005494 -0.006061 0.001471
C 3.85629 2.34643 29.09862 0.00993 0.002385 -0.00044
C 3.15441 12.23196 26.95202 -0.006759 -0.003276 -0.002981
C 4.96981 12.40315 28.50949 -0.00125 0.003576 -0.001957
C 4.60659 12.02282 27.16247 0.007361 0.001895 0.006121
C 4.96979 3.03509 28.50987 -0.000723 -0.003023 -0.001043
C 6.80731 0.0795 23.50276 0.011821 -0.000884 0.000874
C 2.01323 14.20042 27.97491 -0.009677 0.004763 -0.002361
C 7.20402 5.46002 25.14627 -0.002422 -0.01742 0.000368
C 6.42207 6.56065 25.30324 -0.013388 0.006135 -0.001776
C 1.56476 6.55371 29.93944 -0.005232 -0.005444 -0.000119
C 6.66153 7.71922 24.49635 -0.017679 -0.00273 0.001248
C 0.20756 6.99607 30.19895 -0.018046 -0.002961 -0.000512
C 5.80251 6.93526 26.6218 -0.001112 -0.000803 -0.001403
C 6.85966 8.40791 28.99403 0.002046 -0.000693 -0.000793
C 7.29369 5.25124 27.6337 0.002615 -0.002199 -0.00177
C 1.7877 5.45205 29.09856 -0.010618 -0.002462 0.000181
C 8.20285 5.17915 28.76191 -0.009136 0.004273 0.00035
C 1.56479 8.88452 29.93935 -0.004247 0.007368 -0.000155
C 6.47898 6.32077 27.77411 0.006467 0.006326 0.000599
C 7.94959 6.305 29.61593 -0.00696 0.00371 -0.000884
C 2.75934 5.25117 25.64534 -0.008888 -0.015915 -0.000829
C 3.57391 6.32081 25.50431 0.003306 0.017281 0.000357
C 7.94962 9.13325 29.61583 -0.004984 -0.003592 -0.000907
C 1.85013 5.17922 24.51761 0.013444 -0.020537 0.000235
C 4.25037 6.93525 26.6564 0.004738 -0.003225 0.000257
C 0.20759 8.44218 30.19885 -0.019452 0.003431 -0.000674
C 6.85962 7.03033 28.99411 0.001751 0.001405 -0.001156
C 7.56351 4.59227 26.3268 -0.007948 -0.004247 -0.001088
C 0.19721 4.38314 26.11606 0.00958 0.006143 0.001478
C 2.84894 5.45995 28.13282 -0.004137 -0.005996 -4.6e-05
C 1.78772 9.98622 29.09845 -0.01073 0.00225 -0.000389
C 2.4896 4.59217 26.95222 0.005421 -0.003498 0.000833
C 0.6742 4.76336 28.50972 0.001996 0.004428 -0.000551
C 1.03742 4.38303 27.16278 -0.008725 0.001418 -0.001495
C 0.67422 10.67488 28.50957 0.001308 -0.005167 -0.001657
C 7.65516 7.71928 23.50355 -0.001851 -0.004517 -0.001666
C 3.63078 6.56063 27.97506 0.008909 0.003235 -0.000421
C 2.79505 2.3386 28.13288 0.004307 0.004854 0.000796
C 2.01326 1.23786 27.97503 -0.00985 -0.004034 -0.000976
C 5.97434 1.24492 23.34246 -0.035438 -0.021375 -0.001112
C 2.25269 0.07936 28.78119 0.002507 -0.002863 0.002264
C 4.61716 0.80259 23.08952 0.026298 -0.054453 -0.00031
C 1.39366 0.86321 26.65636 -0.004301 0.007987 -0.000449
C 2.45075 14.67021 24.28443 -0.025624 -0.000717 0.000531
C 2.88478 2.54729 25.6456 0.008035 0.016082 -0.001107
C 6.19724 2.34658 24.18085 0.003768 0.029343 0.001358
C 3.7939 2.61944 24.51803 -0.014732 0.026709 0.001083
C 5.97431 14.19368 23.34123 -0.012303 0.011918 -0.001408
C 2.07015 1.47771 25.50432 -0.005133 -0.016534 0.001079
C 3.54069 1.49365 23.66498 -0.020402 0.006251 -0.000204
C 7.16878 2.54734 27.63379 -0.001645 0.0017 -0.003065
C 7.98347 1.47774 27.7741 -0.006374 -0.004566 0.000523
C 3.54069 13.94488 23.66403 -0.035591 -0.022679 -0.000313
C 6.25961 2.61933 28.76199 0.00837 -0.004721 0.000514
C 8.65995 0.86327 26.62179 0.0003 0.003049 -0.001971
C 4.61713 14.63602 23.08836 0.017254 0.076876 -0.000446
C 2.45078 0.76822 24.28476 -0.036264 0.001634 -0.000197
C 3.15442 3.20637 26.95238 -0.007909 0.003722 -9.6e-05
C 4.60658 3.41556 27.1629 0.007927 -0.005255 0.001682
C 7.25844 2.33861 25.14644 0.005705 0.012694 -0.003297
C 6.19719 13.09205 24.18036 0.005463 -0.026622 0.001161
C 6.89898 3.20633 26.32686 0.008654 0.004459 0.002207
C 5.08369 3.03518 24.76951 0.000255 0.01575 -0.001356
C 5.4468 3.41547 26.1163 -0.006651 -0.004229 -0.001391
C 5.08368 12.40337 24.76907 -0.003422 -0.020381 0.000262
C 3.24626 0.07933 29.77543 -0.001318 -0.001589 -0.000778
C 8.04034 1.23791 25.30324 0.014397 -0.00337 0.002487
168
energy=-1515.04733779 config_type=nep2xyz pbc="T T T" virial="-38.21512078623835 0.17122664310636093 0.009250948301424217 0.17122664310636093 -43.47941496692881 0.012446730441916218 0.009250948301424217 0.012446730441916218 -5.002408244230138" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98855 -0.002389 -0.013861 0.006796
C 1.47141 0.89094 19.98631 0.004637 0.008189 0.004224
C 2.93782 0.89094 19.97858 0.006599 -0.015399 -0.001696
C 3.67602 2.16424 19.97779 0.003411 0.015291 -0.001431
C 0.73321 4.71084 19.98414 0.004946 0.008907 0.00272
C 1.47141 3.43754 19.98807 0.004442 0.006341 0.006188
C 2.93782 3.43754 19.98529 0.011374 -0.020625 0.004196
C 3.67602 4.71084 19.98633 -0.015336 0.020959 0.004914
C 0.73321 7.25743 19.96217 -0.006671 -0.019391 -0.009856
C 1.47141 5.98413 19.97312 -0.000898 0.014036 -0.003925
C 2.93782 5.98413 19.98099 -0.00642 -0.018852 0.000303
C 3.67602 7.25743 19.98306 -0.007293 0.010493 0.000852
C 0.73321 9.80403 19.97038 0.006101 0.00035 -0.005677
C 1.47141 8.53073 19.96282 0.006902 0.019817 -0.009423
C 2.93782 8.53073 19.97584 -0.007525 -0.006863 -0.002925
C 3.67602 9.80403 19.98572 -0.005982 -0.002401 0.003766
C 0.73321 12.35062 19.98756 0.002061 -0.009254 0.005155
C 1.47141 11.07732 19.98321 -0.010309 -0.01382 0.001654
C 2.93782 11.07732 19.98734 0.008307 0.000272 0.00439
C 3.67602 12.35062 19.98679 -0.012706 0.00424 0.004219
C 0.73321 14.89722 19.98642 -0.016541 -0.003809 0.00467
C 1.47141 13.62392 19.98723 0.012553 0.010785 0.005417
C 2.93782 13.62392 19.98239 0.00457 0.008326 0.001909
C 3.67602 14.89722 19.97131 -0.012072 0.003193 -0.004723
C 5.14244 2.16424 19.97283 -0.001669 -0.010337 -0.003813
C 5.88064 0.89094 19.96547 0.006926 0.006722 -0.007953
C 7.34705 0.89094 19.97686 -0.01451 -0.011625 -0.002268
C 8.08525 2.16424 19.98552 -0.003349 0.006399 0.004195
C 5.14244 4.71084 19.98816 0.000711 -0.009654 0.006728
C 5.88064 3.43754 19.98394 -0.006987 -0.006767 0.003283
C 7.34705 3.43754 19.98728 0.002688 -0.010203 0.005253
C 8.08525 4.71084 19.98662 -0.006501 0.013413 0.004312
C 5.14244 7.25743 19.98769 -0.001356 -0.006097 0.005194
C 5.88064 5.98413 19.98823 0.004535 0.013317 0.006337
C 7.34705 5.98413 19.98312 0.008696 -0.00238 0.001914
C 8.08525 7.25743 19.97171 0.007587 0.008254 -0.005745
C 5.14244 9.80403 19.98852 -0.003814 -0.010343 0.006618
C 5.88064 8.53073 19.98582 0.015501 0.007076 0.004092
C 7.34705 8.53073 19.97708 -0.008693 -0.006652 -0.002656
C 8.08525 9.80403 19.97641 0.001016 0.017486 -0.002964
C 5.14244 12.35062 19.98462 0.006151 0.005156 0.002935
C 5.88064 11.07732 19.98816 -0.00364 0.008813 0.005934
C 7.34705 11.07732 19.985 0.015129 -0.021282 0.003172
C 8.08525 12.35062 19.98606 -0.011864 0.016867 0.003832
C 5.14244 14.89722 19.96401 0.003383 -0.008607 -0.008694
C 5.88064 13.62392 19.97389 0.004906 0.00832 -0.003376
C 7.34705 13.62392 19.9806 -0.004858 -0.010393 6.4e-05
C 8.08525 14.89722 19.98143 0.009649 0.003735 0.000647
C 3.08653 10.21594 28.13256 -0.005476 0.004507 0.001839
C 3.86831 9.1152 27.97486 0.009993 -0.004085 -0.002814
C 8.72569 9.12227 23.34133 0.011546 -0.016487 -0.00067
C 3.62888 7.9567 28.7811 -0.002396 0.000184 0.003186
C 1.26441 8.67994 23.08796 -0.02489 -0.058125 -0.000535
C 4.48791 8.74056 26.65612 0.002812 0.008188 0.003751
C 3.43082 7.26798 24.28467 0.032278 0.004654 0.000226
C 2.99679 10.42464 25.64499 -0.012129 0.019976 0.004138
C 8.50279 10.22392 24.18057 0.003163 0.025182 -0.00141
C 2.08767 10.49679 24.5174 0.013776 0.011449 -0.002293
C 8.72573 6.79145 23.34286 0.018564 0.011771 -0.000515
C 3.81142 9.35505 25.50398 0.00279 -0.020881 -0.00358
C 2.34088 9.371 23.66387 0.043416 0.029918 0.000244
C 7.53125 10.42469 27.63365 0.002169 0.003542 -0.002155
C 6.71656 9.35509 27.77413 0.00529 -0.00431 0.000524
C 2.34088 6.54265 23.6644 0.031188 -0.010296 0.000226
C 8.44042 10.49668 28.76183 -0.009007 -0.003967 -0.000248
C 6.04008 8.74061 26.62193 -0.002612 0.003817 -0.002434
C 1.26444 7.23379 23.08916 -0.027611 0.040757 -0.000303
C 3.43079 8.64557 24.28443 0.030966 0.000153 0.001029
C 2.72715 11.08372 26.95205 0.007596 0.003414 -0.003108
C 1.27499 11.2929 27.16266 -0.009967 -0.003381 -0.001792
C 7.44159 10.21596 25.14615 -0.005084 0.010458 -0.000797
C 8.50284 5.68982 24.18117 -0.001984 -0.022202 -0.000406
C 7.80105 11.08368 26.32667 -0.005939 0.002947 -0.001003
C 0.79788 10.91253 24.76905 -0.006556 0.023453 -0.000145
C 0.43477 11.29281 26.11592 0.012052 -0.00709 0.000538
C 0.79789 5.00115 24.76952 0.007661 -0.023123 -5e-05
C 2.63531 7.95668 29.77535 0.001025 0.000678 -0.000897
C 6.65969 9.11526 25.30342 -0.013439 -0.000345 -4e-06
C 7.49601 13.33736 25.14584 -0.006276 -0.019352 -0.005305
C 8.27796 14.438 25.30298 0.020309 0.015795 0.004824
C 4.31681 14.43105 29.93929 0.004543 -0.005812 -3.5e-05
C 8.0385 0.31699 24.49666 0.020509 -0.00342 -0.008437
C 5.67401 14.87342 30.19891 0.017611 -0.005563 -0.000912
C 0.07906 14.81261 26.6218 0.001144 -0.002657 -0.005166
C 7.84037 1.00569 28.99425 -0.000167 -0.001327 -0.001211
C 7.40634 13.12858 27.63357 -0.004561 -0.002671 -0.004477
C 4.09387 13.32939 29.09838 0.010397 -0.002218 -0.001375
C 6.49718 13.0565 28.76181 0.008475 0.003083 0.000189
C 4.31678 1.4823 29.9395 0.005579 0.004505 0.000275
C 8.22106 14.19812 27.77404 -0.005332 0.005847 0.001889
C 6.75044 14.18235 29.61584 0.004313 0.002969 -0.001146
C 3.12223 13.12852 25.64492 0.011317 -0.014255 0.000215
C 2.30766 14.19816 25.50383 -0.00421 0.017108 -0.001652
C 6.75041 1.73103 29.6161 0.00885 -0.004666 -0.000927
C 4.03144 13.05657 24.51722 -0.008757 -0.012421 0.000112
C 1.6312 14.8126 26.65606 -0.002471 -0.004598 0.003112
C 5.67398 1.03996 30.19903 0.017181 0.001305 -0.00069
C 7.84041 14.90768 28.99408 -0.000748 0.000646 -0.001864
C 7.13652 12.46962 26.32647 0.008143 -0.002885 0.002658
C 5.68436 12.26048 26.11584 -0.010564 0.008121 0.000209
C 3.03263 13.33729 28.13254 0.005786 -0.006372 0.001398
C 4.09385 2.584 29.09868 0.009265 0.002375 -0.00062
C 3.39197 12.46952 26.95193 -0.006547 -0.003041 -0.000666
C 5.20737 12.64071 28.50951 -0.001448 0.005 -0.000435
C 4.84415 12.26038 27.16256 0.00918 0.00141 -0.001336
C 5.20735 3.27265 28.50997 0.000297 -0.002318 -0.001606
C 7.04488 0.31706 23.50302 0.004635 0.000809 0.001854
C 2.25079 14.43798 27.97484 -0.008969 0.004098 -0.003091
C 7.44158 5.69758 25.14661 -0.007047 -0.017611 -0.000875
C 6.65963 6.79821 25.3035 -0.011535 0.002364 0.000319
C 1.80232 6.79127 29.93943 -0.00503 -0.004772 0.000234
C 6.89909 7.95678 24.49681 -0.023844 -0.00129 -0.00164
C 0.44512 7.23363 30.19905 -0.016262 -0.001464 -0.000504
C 6.04007 7.17282 26.62197 -0.001599 -0.001372 -0.00241
C 7.09722 8.64547 28.99412 0.001211 -0.000808 -0.001278
C 7.53125 5.4888 27.6339 0.001924 -0.003127 -0.003868
C 2.02526 5.68961 29.09858 -0.008683 -0.002289 -0.000239
C 8.44041 5.41671 28.76207 -0.0079 0.00468 0.001398
C 1.80235 9.12208 29.93926 -0.004179 0.00608 -0.000102
C 6.71654 6.55833 27.77427 0.005096 0.005199 0.001724
C 8.18715 6.54257 29.61607 -0.007739 0.002616 -0.000939
C 2.9969 5.48873 25.64526 -0.010888 -0.017685 0.000616
C 3.81147 6.55837 25.50408 0.006775 0.020384 8.4e-05
C 8.18718 9.37081 29.61585 -0.003421 -0.002675 -0.001132
C 2.08769 5.41678 24.51777 0.007851 -0.026956 0.000178
C 4.48793 7.17281 26.65623 0.003689 -0.004039 0.000664
C 0.44515 8.67974 30.19892 -0.019019 0.003852 -0.000827
C 7.09718 7.26789 28.99425 0.00165 0.0006 -0.001344
C 7.80107 4.82983 26.32698 -0.009143 -0.005357 0.00121
C 0.43478 4.6207 26.11626 0.008211 0.006344 -0.001939
C 3.0865 5.69751 28.13275 -0.003997 -0.004562 0.001403
C 2.02528 10.22378 29.0984 -0.00934 0.001435 -0.001172
C 2.72716 4.82973 26.95224 0.005603 -0.002697 -0.00102
C 0.91176 5.00092 28.50984 0.001763 0.004266 -0.001532
C 1.27498 4.62059 27.16287 -0.006387 0.002145 0.002856
C 0.91178 10.91244 28.50953 0.001134 -0.004506 3.3e-05
C 7.89272 7.95684 23.50402 0.004173 -0.003785 -0.000746
C 3.86834 6.79819 27.97493 0.008064 0.003481 -0.001704
C 3.03261 2.57616 28.13286 0.004301 0.00476 0.001186
C 2.25082 1.47542 27.97497 -0.008866 -0.002514 -0.00189
C 6.2119 1.48248 23.34264 -0.029824 -0.017779 -0.001582
C 2.49025 0.31692 28.78109 0.00283 -0.003179 0.003537
C 4.85472 1.04015 23.08863 0.024735 -0.043158 -0.000365
C 1.63122 1.10077 26.65626 -0.003185 0.008317 -0.000178
C 2.68831 14.90777 24.2841 -0.024339 -0.006489 0.00054
C 3.12234 2.78485 25.64555 0.007581 0.014942 -0.002639
C 6.4348 2.58414 24.18096 0.003552 0.020632 0.002771
C 4.03146 2.857 24.51789 -0.010562 0.023667 0.002295
C 6.21187 14.43124 23.34109 -0.007026 0.012363 -0.00179
C 2.30771 1.71527 25.50415 -0.004107 -0.01599 0.001761
C 3.77825 1.73121 23.66464 -0.022614 0.004088 -0.000331
C 7.40635 2.7849 27.63393 -0.002099 0.002885 -0.0039
C 8.22103 1.7153 27.77426 -0.006028 -0.004756 0.000927
C 3.77825 14.18244 23.66371 -0.03905 -0.026259 -0.000324
C 6.49717 2.85689 28.76211 0.007165 -0.004451 0.000823
C 0.07905 1.10083 26.62195 0.000248 0.002872 -0.003062
C 4.85469 14.87358 23.08727 0.016711 0.066017 -0.000534
C 2.68835 1.00578 24.28445 -0.033468 0.005654 -0.00022
C 3.39198 3.44393 26.95233 -0.007573 0.003406 0.000912
C 4.84414 3.65312 27.16296 0.007711 -0.005382 0.002683
C 7.496 2.57618 25.14659 0.004644 0.015654 -0.004808
C 6.43475 13.32961 24.18038 0.002349 -0.022209 0.001906
C 7.13654 3.44389 26.32698 0.00955 0.004695 0.002882
C 5.32125 3.27274 24.76957 -0.005137 0.017228 -0.002216
C 5.68436 3.65303 26.11637 -0.005825 -0.004419 -0.001754
C 5.32124 12.64093 24.76908 -0.002869 -0.021192 -0.002257
C 3.48382 0.31689 29.7754 -0.00183 -0.002152 -0.001228
C 8.2779 1.47548 25.30337 0.013818 -0.004097 0.004326
168
energy=-1515.04807717 config_type=nep2xyz pbc="T T T" virial="-38.20805642571727 0.139100622641415 0.01757680177270601 0.139100622641415 -43.47495769183812 0.01745065247768659 0.01757680177270601 0.01745065247768659 -5.001525199165003" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98854 -0.007218 -0.010834 0.006422
C 1.47141 0.89094 19.98738 0.00176 0.006306 0.004895
C 2.93782 0.89094 19.98046 0.009035 -0.009452 -0.000445
C 3.67602 2.16424 19.9773 0.004243 0.016167 -0.001118
C 0.73321 4.71084 19.98566 0.004275 0.007681 0.0038
C 1.47141 3.43754 19.98864 0.003975 0.003889 0.006419
C 2.93782 3.43754 19.98552 0.013098 -0.021123 0.004263
C 3.67602 4.71084 19.98666 -0.013179 0.018074 0.004627
C 0.73321 7.25743 19.96407 -0.004044 -0.015868 -0.008246
C 1.47141 5.98413 19.97563 -0.000575 0.01551 -0.002348
C 2.93782 5.98413 19.98195 -0.003534 -0.015337 0.000702
C 3.67602 7.25743 19.98193 -0.006805 0.014057 0.000175
C 0.73321 9.80403 19.96864 -7.8e-05 0.003511 -0.006008
C 1.47141 8.53073 19.96135 0.005016 0.011663 -0.009101
C 2.93782 8.53073 19.97316 0.003235 -0.005052 -0.003869
C 3.67602 9.80403 19.98373 -0.004352 -0.005467 0.00189
C 0.73321 12.35062 19.98771 0.001932 -0.011105 0.004944
C 1.47141 11.07732 19.98187 -0.007463 -0.011897 0.000743
C 2.93782 11.07732 19.98635 0.007113 0.000192 0.003282
C 3.67602 12.35062 19.98756 -0.012622 -0.001075 0.004637
C 0.73321 14.89722 19.98721 -0.014586 -0.003174 0.005243
C 1.47141 13.62392 19.98852 0.007728 0.010684 0.006345
C 2.93782 13.62392 19.98471 0.00811 0.009581 0.003356
C 3.67602 14.89722 19.97415 -0.001958 0.001059 -0.002893
C 5.14244 2.16424 19.97027 5.2e-05 -0.006024 -0.004403
C 5.88064 0.89094 19.96298 0.014238 0.0088 -0.007803
C 7.34705 0.89094 19.97496 -0.020145 -0.009136 -0.002774
C 8.08525 2.16424 19.98407 -0.001842 0.009122 0.003009
C 5.14244 4.71084 19.98785 0.000411 -0.010307 0.005607
C 5.88064 3.43754 19.98209 -0.006207 -0.00864 0.001761
C 7.34705 3.43754 19.98615 0.002184 -0.011792 0.003955
C 8.08525 4.71084 19.98733 -0.006411 0.008023 0.004658
C 5.14244 7.25743 19.98722 -0.003476 -0.006105 0.004328
C 5.88064 5.98413 19.98854 -0.000321 0.013238 0.005897
C 7.34705 5.98413 19.98442 0.010686 0.002139 0.002573
C 8.08525 7.25743 19.97351 0.004721 0.004374 -0.004426
C 5.14244 9.80403 19.9877 -0.007246 -0.006996 0.004963
C 5.88064 8.53073 19.98551 0.01877 0.005274 0.003275
C 7.34705 8.53073 19.97753 -0.013267 -0.004504 -0.00243
C 8.08525 9.80403 19.97581 0.000892 0.015007 -0.003115
C 5.14244 12.35062 19.98563 0.006876 0.008597 0.003503
C 5.88064 11.07732 19.98822 -0.003678 0.004025 0.00526
C 7.34705 11.07732 19.98496 0.015316 -0.019793 0.002788
C 8.08525 12.35062 19.98639 -0.010864 0.014588 0.003817
C 5.14244 14.89722 19.96512 0.000331 -0.012955 -0.007127
C 5.88064 13.62392 19.97532 -0.001133 0.008834 -0.002076
C 7.34705 13.62392 19.9813 -0.003397 -0.007489 0.00064
C 8.08525 14.89722 19.98112 0.006646 0.00076 0.000809
C 3.32409 10.4535 28.13261 -0.004513 0.00488 -0.001541
C 4.10587 9.35276 27.97476 0.007512 -0.003876 0.002154
C 0.14479 9.35983 23.34205 0.015139 -0.02117 -0.000651
C 3.86644 8.19426 28.78113 -0.000845 0.000415 -0.00141
C 1.50197 8.9175 23.08889 -0.028905 -0.071103 -0.000382
C 4.72547 8.97812 26.65615 0.001667 0.008545 -0.002909
C 3.66838 7.50554 24.28459 0.037633 0.004869 0.000399
C 3.23435 10.6622 25.64507 -0.013832 0.019175 -0.003008
C 8.74035 10.46148 24.18076 -0.003471 0.029336 -0.001113
C 2.32523 10.73435 24.51748 0.009458 0.022423 0.001098
C 0.14483 7.02901 23.34325 0.026885 0.021468 -0.000492
C 4.04898 9.59261 25.5038 0.008141 -0.022154 0.003017
C 2.57844 9.60856 23.66378 0.043656 0.030041 -0.000186
C 7.76881 10.66225 27.63367 0.002383 0.003464 -0.000338
C 6.95412 9.59265 27.77418 0.004541 -0.003873 -0.00185
C 2.57844 6.78021 23.66433 0.032106 -0.015568 0.0001
C 8.67799 10.73424 28.76192 -0.008581 -0.003612 -0.000914
C 6.27764 8.97818 26.62189 -0.001941 0.005001 0.000888
C 1.502 7.47135 23.08991 -0.032533 0.052506 -0.000163
C 3.66835 8.88313 24.28438 0.032955 -0.003289 -0.000666
C 2.96471 11.32128 26.95199 0.005976 0.00289 0.002011
C 1.51255 11.53046 27.16269 -0.007551 -0.002779 0.001521
C 7.67915 10.45352 25.14621 -0.005464 0.012431 -1.1e-05
C 8.7404 5.92738 24.18122 -0.006516 -0.029887 -0.000717
C 8.03861 11.32124 26.32672 -0.008341 0.003286 -0.000702
C 1.03544 11.15009 24.76923 0.003782 0.023486 -4e-05
C 0.67233 11.53038 26.11604 0.010069 -0.00771 -0.002562
C 1.03545 5.23871 24.76953 0.009917 -0.023323 0.002077
C 2.87287 8.19424 29.7753 0.000285 5.1e-05 0.000722
C 6.89725 9.35282 25.30347 -0.014837 -0.002594 -0.002131
C 7.73357 13.57492 25.14578 -0.002746 -0.019242 0.000383
C 8.51552 14.67556 25.30303 0.01576 0.012542 -0.0024
C 4.55437 14.66861 29.93927 0.00514 -0.00674 -0.000537
C 8.27606 0.55455 24.49637 0.023499 -0.001365 0.000526
C 5.91157 15.11098 30.1988 0.017994 -0.005598 -0.000902
C 0.31662 15.05017 26.62167 0.000677 -0.001931 -0.000539
C 8.07794 1.24325 28.9941 -0.0004 -0.000957 -0.000745
C 7.6439 13.36614 27.63343 -0.0052 -0.001355 0.000903
C 4.33143 13.56696 29.09834 0.012187 -0.002269 -0.000436
C 6.73474 13.29406 28.76172 0.009351 0.002844 -0.001792
C 4.55434 1.71986 29.93945 0.005302 0.005714 -0.000113
C 8.45862 14.43568 27.77399 -0.004916 0.006237 -0.001891
C 6.988 14.41991 29.61572 0.004357 0.002733 -0.001137
C 3.35979 13.36608 25.64497 0.009918 -0.014016 0.001358
C 2.54522 14.43572 25.50394 -0.000938 0.016909 -0.001557
C 6.98797 1.96859 29.61595 0.008457 -0.005447 -0.000758
C 4.269 13.29413 24.51719 -0.013026 -0.005101 -0.001226
C 1.86877 15.05016 26.65615 -0.002966 -0.004399 0.000968
C 5.91154 1.27752 30.19892 0.017822 0.001602 -0.000755
C 8.07797 15.14524 28.99395 -0.001474 0.000645 -0.00102
C 7.37408 12.70718 26.32652 0.006885 -0.00249 -0.003844
C 5.92192 12.49804 26.1157 -0.012461 0.007118 0.006587
C 3.27019 13.57485 28.13255 0.004526 -0.005922 7.4e-05
C 4.33141 2.82156 29.09862 0.01119 0.002646 -0.00023
C 3.62953 12.70708 26.95193 -0.007233 -0.004585 -0.000765
C 5.44493 12.87827 28.50945 -0.000573 0.005174 0.001189
C 5.08171 12.49794 27.16255 0.01084 0.001443 -0.007662
C 5.44491 3.51021 28.50985 0.000835 -0.003279 -0.000861
C 7.28244 0.55462 23.50304 -0.002484 0.001853 -0.001668
C 2.48835 14.67554 27.97485 -0.008402 0.004469 -0.000397
C 7.67914 5.93514 25.14663 -0.009611 -0.014977 0.000357
C 6.89719 7.03577 25.30359 -0.01056 0.001231 -0.002055
C 2.03988 7.02883 29.93939 -0.004773 -0.005282 0.00014
C 7.13665 8.19434 24.49692 -0.028358 0.000101 0.000884
C 0.68268 7.47119 30.19904 -0.015473 -0.00162 -0.0005
C 6.27763 7.41038 26.62198 -0.001423 -0.001419 0.000897
C 7.33478 8.88304 28.9941 0.001116 -0.001242 -0.000599
C 7.76881 5.72636 27.63385 0.002439 -0.002301 0.000877
C 2.26282 5.92717 29.09854 -0.009111 -0.002044 0.000218
C 8.67797 5.65427 28.76209 -0.009731 0.004462 -0.001067
C 2.03991 9.35965 29.93928 -0.005812 0.005847 -0.000311
C 6.9541 6.79589 27.77433 0.004035 0.004816 -0.002287
C 8.42471 6.78013 29.61603 -0.007246 0.002418 -0.000371
C 3.23446 5.72629 25.64522 -0.012935 -0.018985 0.000818
C 4.04903 6.79593 25.504 0.008427 0.022485 0.000233
C 8.42474 9.60837 29.61588 -0.003916 -0.003293 -0.000736
C 2.32526 5.65434 24.51784 0.007853 -0.031509 1.1e-05
C 4.72549 7.41037 26.6562 0.002559 -0.004724 0.000166
C 0.68272 8.9173 30.19894 -0.016882 0.002184 -0.000721
C 7.33474 7.50546 28.99422 0.002404 0.000832 -0.000122
C 8.03863 5.06739 26.32701 -0.009712 -0.004464 -0.000338
C 0.67234 4.85826 26.11632 0.005725 0.006664 -0.008305
C 3.32406 5.93507 28.13275 -0.003515 -0.005114 -0.000114
C 2.26284 10.46134 29.0984 -0.009829 0.001246 0.000413
C 2.96472 5.06729 26.95218 0.007109 -0.003461 -0.001037
C 1.14932 5.23848 28.5098 0.001999 0.003004 -0.001944
C 1.51254 4.85816 27.16278 -0.004401 0.002953 0.008199
C 1.14935 11.15 28.50958 0.001207 -0.003965 -0.001209
C 8.13028 8.1944 23.50407 0.004024 -0.001531 -0.001317
C 4.1059 7.03575 27.97485 0.006196 0.00321 0.001121
C 3.27017 2.81372 28.13285 0.003951 0.004458 0.000141
C 2.48838 1.71298 27.97496 -0.008417 -0.002322 0.000342
C 6.44946 1.72004 23.34198 -0.018869 -0.007844 -0.000709
C 2.72781 0.55448 28.78119 0.001434 -0.002217 -0.000176
C 5.09228 1.27771 23.08785 0.018162 -0.033868 -0.000404
C 1.86878 1.33833 26.65628 -0.003612 0.007777 -0.000882
C 2.92587 15.14533 24.28423 -0.023432 -0.006856 0.00029
C 3.3599 3.02241 25.64547 0.00518 0.015071 0.000885
C 6.67236 2.8217 24.18085 -0.002064 0.012639 -0.001077
C 4.26902 3.09456 24.51778 -0.010375 0.016647 -0.000517
C 6.44943 14.6688 23.34072 -0.005848 0.007781 -0.000651
C 2.54527 1.95283 25.50423 -0.001895 -0.014804 0.000164
C 4.01581 1.96877 23.66456 -0.023518 0.005706 -5.2e-05
C 7.64391 3.02246 27.63374 -0.003357 0.001648 0.000121
C 8.45859 1.95286 27.77417 -0.00578 -0.004814 -0.002055
C 4.01581 14.42 23.66387 -0.036096 -0.023092 -0.000118
C 6.73473 3.09445 28.76201 0.00913 -0.003646 -0.001163
C 0.31661 1.33839 26.62178 0.000251 0.003137 0.000345
C 5.09226 15.11114 23.08677 0.014084 0.048022 -0.000651
C 2.92591 1.24334 24.28451 -0.029091 0.004249 -6.1e-05
C 3.62954 3.68149 26.95231 -0.00836 0.00353 -0.001
C 5.0817 3.89068 27.16286 0.008372 -0.004797 0.002646
C 7.73356 2.81374 25.14633 0.003277 0.018515 -0.000184
C 6.67231 13.56717 24.18035 -0.004268 -0.0172 -0.00196
C 7.3741 3.68145 26.32689 0.008785 0.004693 -0.000979
C 5.55881 3.5103 24.76941 -0.000919 0.020861 0.000556
C 5.92192 3.89059 26.11627 -0.008191 -0.00485 -0.003318
C 5.5588 12.87849 24.76895 0.005066 -0.022646 -0.001945
C 3.72138 0.55445 29.77539 -0.001457 -0.001872 2.5e-05
C 8.51546 1.71304 25.30328 0.013112 -0.007022 -0.002274
168
energy=-1515.04805832 config_type=nep2xyz pbc="T T T" virial="-38.21549923412341 0.03767658944580044 0.011059088196702585 0.03767658944580044 -43.45275541591471 0.013792322922123377 0.011059088196702585 0.013792322922123377 -5.006991668615845" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98811 -0.010785 -0.003868 0.00554
C 1.47141 0.89094 19.98797 0.000909 0.002266 0.004903
C 2.93782 0.89094 19.98186 0.008697 -0.001584 0.000492
C 3.67602 2.16424 19.97724 0.0074 0.010518 -0.000948
C 0.73321 4.71084 19.98706 0.004737 0.009434 0.004535
C 1.47141 3.43754 19.98917 0.002222 -0.000849 0.006467
C 2.93782 3.43754 19.98609 0.012657 -0.016917 0.004243
C 3.67602 4.71084 19.98711 -0.009906 0.012144 0.004254
C 0.73321 7.25743 19.96696 -0.004418 -0.005763 -0.006098
C 1.47141 5.98413 19.97847 0.000466 0.009928 -0.000732
C 2.93782 5.98413 19.9829 -0.000916 -0.005762 0.001089
C 3.67602 7.25743 19.98012 -0.00386 0.013659 -0.00053
C 0.73321 9.80403 19.96821 -0.004902 0.002584 -0.00552
C 1.47141 8.53073 19.96076 -0.00014 0.002582 -0.008409
C 2.93782 8.53073 19.96995 0.013053 -0.00106 -0.004699
C 3.67602 9.80403 19.9807 -0.002687 -0.011273 -0.000107
C 0.73321 12.35062 19.9877 0.004004 -0.009689 0.004786
C 1.47141 11.07732 19.98034 -0.001772 -0.008819 3.3e-05
C 2.93782 11.07732 19.98431 0.002912 0.001078 0.001701
C 3.67602 12.35062 19.98751 -0.009903 -0.006499 0.004337
C 0.73321 14.89722 19.98772 -0.012214 -0.000112 0.005349
C 1.47141 13.62392 19.98927 0.00293 0.005865 0.006417
C 2.93782 13.62392 19.98611 0.011067 0.013226 0.004107
C 3.67602 14.89722 19.97652 0.006553 -0.005014 -0.001305
C 5.14244 2.16424 19.96801 -0.001188 0.005549 -0.004866
C 5.88064 0.89094 19.96112 0.019442 0.003656 -0.00754
C 7.34705 0.89094 19.97278 -0.019673 -0.002404 -0.003515
C 8.08525 2.16424 19.982 -0.000625 0.004532 0.001408
C 5.14244 4.71084 19.98722 0.002294 -0.009325 0.00426
C 5.88064 3.43754 19.97965 -0.006255 -0.011425 0.000218
C 7.34705 3.43754 19.9842 0.000929 -0.006393 0.00234
C 8.08525 4.71084 19.9876 -0.007042 -0.001867 0.004536
C 5.14244 7.25743 19.98637 -0.008518 -0.002394 0.00331
C 5.88064 5.98413 19.98856 -0.003351 0.008146 0.005127
C 7.34705 5.98413 19.98563 0.01108 0.009228 0.00317
C 8.08525 7.25743 19.97599 0.002261 -0.001117 -0.002524
C 5.14244 9.80403 19.98652 -0.010071 -0.00132 0.003408
C 5.88064 8.53073 19.98528 0.019574 0.001966 0.002472
C 7.34705 8.53073 19.97894 -0.013539 -0.000742 -0.00139
C 8.08525 9.80403 19.97654 0.001908 0.006495 -0.002203
C 5.14244 12.35062 19.98651 0.005005 0.010755 0.003749
C 5.88064 11.07732 19.98836 -0.003914 -0.002713 0.004805
C 7.34705 11.07732 19.98562 0.012608 -0.013937 0.003157
C 8.08525 12.35062 19.98718 -0.008699 0.009419 0.004215
C 5.14244 14.89722 19.96652 -0.001613 -0.012517 -0.00558
C 5.88064 13.62392 19.97749 -0.005638 0.01051 -0.000833
C 7.34705 13.62392 19.98259 -0.001309 -0.000488 0.001427
C 8.08525 14.89722 19.98103 0.001363 -0.001756 0.000846
C 3.56165 10.69107 28.13273 -0.003705 0.004737 -0.000714
C 4.34343 9.59032 27.97485 0.007454 -0.003158 0.001313
C 0.38235 9.59739 23.3424 0.023781 -0.021361 -0.000426
C 4.104 8.43182 28.78117 -0.000797 -0.000626 -0.000935
C 1.73954 9.15506 23.08986 -0.029349 -0.075372 -0.000273
C 4.96303 9.21568 26.65621 0.002356 0.007762 -0.001003
C 3.90594 7.74311 24.28466 0.037822 0.006639 0.000185
C 3.47191 10.89976 25.64523 -0.013155 0.019924 -0.000644
C 0.15945 10.69904 24.18086 -0.005964 0.031719 -0.001279
C 2.56279 10.97191 24.51773 0.008765 0.029978 0.000253
C 0.38239 7.26657 23.34276 0.028645 0.023176 -0.000396
C 4.28654 9.83018 25.50401 0.008907 -0.019945 0.001138
C 2.816 9.84612 23.6642 0.034465 0.024138 4.5e-05
C 8.00637 10.89981 27.63369 0.002179 0.003065 -0.000396
C 7.19168 9.83021 27.77414 0.005562 -0.004365 -0.00111
C 2.816 7.01777 23.66437 0.03141 -0.02032 0.000147
C 0.09709 10.9718 28.76196 -0.010225 -0.004767 -0.000739
C 6.5152 9.21574 26.62183 -0.000727 0.004273 0.000219
C 1.73956 7.70891 23.0902 -0.031301 0.06728 -0.000198
C 3.90591 9.12069 24.28461 0.036204 -0.006816 -3.1e-05
C 3.20227 11.55884 26.95216 0.007776 0.001964 0.000303
C 1.75011 11.76802 27.16279 -0.008797 -0.003437 0.001898
C 7.91671 10.69108 25.14623 -0.004217 0.013982 0.000353
C 0.1595 6.16494 24.18097 -0.00632 -0.035914 -0.001191
C 8.27617 11.5588 26.32677 -0.008211 0.003808 -0.000611
C 1.273 11.38765 24.76936 0.00582 0.021986 0.000623
C 0.90989 11.76794 26.11615 0.009917 -0.00672 -0.002764
C 1.27301 5.47627 24.76936 0.007186 -0.022433 0.001971
C 3.11043 8.4318 29.77535 0.001242 -0.001581 0.00058
C 7.13481 9.59038 25.30336 -0.016562 -0.005038 -0.002242
C 7.97113 13.81248 25.1459 -0.000928 -0.017261 -0.000745
C 8.75308 14.91312 25.30303 0.014222 0.008459 -0.00105
C 4.79193 14.90617 29.93935 0.005429 -0.007773 -0.000579
C 8.51362 0.79211 24.49622 0.018859 -0.000634 -0.001313
C 6.14913 0.06897 30.19887 0.01792 -0.004296 -0.000847
C 0.55418 0.00816 26.62169 0.000785 -0.001414 -0.000579
C 8.3155 1.48081 28.99401 -0.001584 -0.000485 -0.001013
C 7.88146 13.6037 27.63349 -0.004993 -0.001439 0.000968
C 4.56899 13.80452 29.09842 0.011786 -0.00239 1e-06
C 6.9723 13.53162 28.76178 0.010076 0.003206 -0.001757
C 4.7919 1.95742 29.93941 0.005752 0.006402 -0.000377
C 8.69618 14.67324 27.77402 -0.005884 0.005738 -0.001858
C 7.22556 14.65747 29.61579 0.005898 0.003238 -0.001004
C 3.59735 13.60364 25.6452 0.00806 -0.013879 0.00016
C 2.78279 14.67328 25.50423 -0.00094 0.016582 -0.000709
C 7.22553 2.20615 29.61584 0.006491 -0.005013 -0.00086
C 4.50656 13.53169 24.5173 -0.01835 -0.005609 -0.000558
C 2.10633 0.00815 26.65635 -0.004546 -0.004076 -3e-06
C 6.1491 1.51508 30.19886 0.018391 0.002755 -0.000831
C 8.31553 0.10323 28.99399 -0.00198 -0.000127 -0.000891
C 7.61165 12.94474 26.32657 0.008128 -0.002549 -0.003391
C 6.15948 12.7356 26.1157 -0.013768 0.006616 0.009119
C 3.50776 13.81241 28.13268 0.00381 -0.006056 -0.000612
C 4.56897 3.05912 29.09854 0.011556 0.002722 -0.000108
C 3.86709 12.94464 26.95203 -0.006211 -0.00504 0.000922
C 5.68249 13.11583 28.5095 -0.000287 0.005295 0.001927
C 5.31927 12.7355 27.1626 0.012538 0.00169 -0.009995
C 5.68247 3.74777 28.50966 0.000643 -0.004261 -0.000191
C 7.52 0.79218 23.50302 -0.001048 0.000822 -0.00093
C 2.72591 14.9131 27.975 -0.00868 0.003974 0.000532
C 7.9167 6.1727 25.14631 -0.006966 -0.015043 0.00055
C 7.13475 7.27333 25.30335 -0.013996 0.004541 -0.002325
C 2.27744 7.26639 29.93935 -0.005393 -0.005902 2.3e-05
C 7.37421 8.4319 24.4967 -0.027474 0.000242 0.001448
C 0.92024 7.70875 30.19891 -0.016485 -0.002808 -0.000526
C 6.51519 7.64794 26.62182 -0.000492 -0.001448 0.000554
C 7.57234 9.1206 28.99407 0.00039 -0.001683 -0.000677
C 8.00638 5.96392 27.63367 0.003165 -0.002667 7e-06
C 2.50038 6.16473 29.09848 -0.010909 -0.002226 0.000182
C 0.09707 5.89183 28.76194 -0.009696 0.00449 -0.000842
C 2.27747 9.59721 29.93936 -0.005945 0.005543 -0.000148
C 7.19166 7.03345 27.77413 0.004528 0.005705 -0.001461
C 8.66228 7.01769 29.61586 -0.005414 0.002097 -0.000544
C 3.47202 5.96386 25.64518 -0.013269 -0.019246 0.000603
C 4.28659 7.0335 25.50401 0.00868 0.021574 0.000442
C 8.6623 9.84593 29.61588 -0.005823 -0.003595 -0.000633
C 2.56282 5.8919 24.51776 0.009347 -0.03135 -0.000287
C 4.96305 7.64793 26.65621 0.002489 -0.005058 -0.000384
C 0.92028 9.15486 30.19892 -0.017329 0.000903 -0.00058
C 7.5723 7.74302 28.99404 0.001755 0.001774 -0.000482
C 8.27619 5.30496 26.32678 -0.008529 -0.003946 -0.00037
C 0.9099 5.09582 26.11615 0.007725 0.006791 -0.006793
C 3.56162 6.17263 28.13272 -0.003835 -0.005948 -0.00032
C 2.50041 10.6989 29.0985 -0.010641 0.002084 0.00033
C 3.20228 5.30485 26.95213 0.008262 -0.003564 -0.000692
C 1.38688 5.47604 28.50968 0.001989 0.003061 -0.001439
C 1.7501 5.09572 27.16268 -0.006565 0.003002 0.005873
C 1.38691 11.38756 28.50969 0.000838 -0.00333 -0.000826
C 8.36784 8.43196 23.50361 -0.001427 0.000405 -0.00155
C 4.34346 7.27331 27.97487 0.00699 0.003735 0.001076
C 3.50773 3.05128 28.13279 0.004579 0.005081 -0.000414
C 2.72594 1.95054 27.97503 -0.009518 -0.003259 0.000594
C 6.68702 1.95761 23.34098 -0.010225 -0.001597 -0.000948
C 2.96537 0.79204 28.78132 0.000661 -0.001313 -0.001076
C 5.32984 1.51527 23.08744 0.012898 -0.032598 -0.000546
C 2.10634 1.5759 26.65638 -0.004266 0.00708 -0.000263
C 3.16343 0.10332 24.28465 -0.024283 -0.001206 0.000116
C 3.59746 3.25998 25.64542 0.004813 0.015105 0.000709
C 6.90992 3.05926 24.18051 -0.007144 0.013213 -0.000607
C 4.50658 3.33213 24.51754 -0.015641 0.010491 -0.000676
C 6.68699 14.90636 23.34054 -0.007949 0.002627 -0.000794
C 2.78283 2.19039 25.50435 -0.00041 -0.014604 -0.000498
C 4.25337 2.20634 23.66453 -0.025358 0.01067 -0.000187
C 7.88147 3.26002 27.63358 -0.003584 0.002227 -0.000402
C 8.69615 2.19042 27.77405 -0.007314 -0.004295 -0.001229
C 4.25337 14.65756 23.66432 -0.028126 -0.016946 -0.000132
C 6.97229 3.33201 28.76185 0.008163 -0.003231 -0.001179
C 0.55417 1.57595 26.62172 0.000485 0.003596 -0.000883
C 5.32982 0.06913 23.08709 0.011272 0.0341 -0.000607
C 3.16347 1.4809 24.28474 -0.025934 -0.00017 1.1e-05
C 3.8671 3.91905 26.95223 -0.006681 0.004236 -0.000538
C 5.31926 4.12824 27.16271 0.009568 -0.003464 -0.000794
C 7.97112 3.0513 25.14606 0.000662 0.016604 -0.001162
C 6.90987 13.80473 24.18034 -0.007187 -0.016524 -0.000918
C 7.61166 3.91901 26.32666 0.008329 0.004048 -0.000871
C 5.79637 3.74786 24.76912 0.008631 0.021559 -0.00043
C 6.15948 4.12815 26.11601 -0.010544 -0.005937 -0.000559
C 5.79636 13.11605 24.76894 0.012286 -0.021856 -0.00292
C 3.95894 0.79202 29.77545 -0.000856 -0.000896 0.00039
C 8.75302 1.9506 25.30313 0.014262 -0.006582 -0.000804
168
energy=-1515.04708008 config_type=nep2xyz pbc="T T T" virial="-38.22580142655 -0.04730598563228292 0.00029434835504531595 -0.04730598563228292 -43.44396701502835 0.01076473984165727 0.00029434835504531595 0.01076473984165727 -4.9904661109683" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98684 -0.011144 0.001801 0.005412
C 1.47141 0.89094 19.98771 0.000959 -3e-06 0.005349
C 2.93782 0.89094 19.98295 0.00618 0.003096 0.000864
C 3.67602 2.16424 19.97792 0.013042 0.002916 -0.001438
C 0.73321 4.71084 19.98775 0.005958 0.011367 0.006012
C 1.47141 3.43754 19.98898 -0.000103 -0.006061 0.007587
C 2.93782 3.43754 19.98652 0.010225 -0.011113 0.004888
C 3.67602 4.71084 19.98716 -0.006719 0.007257 0.004579
C 0.73321 7.25743 19.97097 -0.006913 0.004579 -0.005341
C 1.47141 5.98413 19.98122 0.001047 0.002794 0.000506
C 2.93782 5.98413 19.98353 0.002749 0.004055 0.001491
C 3.67602 7.25743 19.97817 -0.000536 0.010687 -0.001505
C 0.73321 9.80403 19.96945 -0.004401 -0.002783 -0.006498
C 1.47141 8.53073 19.96206 -0.006714 -0.000396 -0.009529
C 2.93782 8.53073 19.96748 0.017843 0.00109 -0.006993
C 3.67602 9.80403 19.97728 -0.000832 -0.01392 -0.002381
C 0.73321 12.35062 19.98693 0.007257 -0.007985 0.00553
C 1.47141 11.07732 19.97872 0.003189 -0.005111 -0.001059
C 2.93782 11.07732 19.98143 -0.001227 0.000894 7.9e-05
C 3.67602 12.35062 19.98652 -0.007296 -0.009852 0.004372
C 0.73321 14.89722 19.98735 -0.010394 0.002461 0.005954
C 1.47141 13.62392 19.98887 -0.000802 0.000386 0.007533
C 2.93782 13.62392 19.98644 0.012845 0.015696 0.004934
C 3.67602 14.89722 19.9787 0.011533 -0.010785 -0.000865
C 5.14244 2.16424 19.96679 -0.003805 0.016291 -0.007171
C 5.88064 0.89094 19.96078 0.017486 -0.004437 -0.009958
C 7.34705 0.89094 19.97071 -0.0121 0.004068 -0.00588
C 8.08525 2.16424 19.97936 -0.000793 -0.003657 -0.000577
C 5.14244 4.71084 19.98594 0.005726 -0.009797 0.003748
C 5.88064 3.43754 19.97695 -0.007491 -0.011552 -0.001919
C 7.34705 3.43754 19.98144 -0.001224 0.002485 0.000691
C 8.08525 4.71084 19.98698 -0.009248 -0.010252 0.005125
C 5.14244 7.25743 19.98514 -0.014284 0.000918 0.003234
C 5.88064 5.98413 19.98791 -0.004513 0.00243 0.005443
C 7.34705 5.98413 19.9864 0.010253 0.012854 0.004416
C 8.08525 7.25743 19.97919 0.003149 -0.004774 -0.000897
C 5.14244 9.80403 19.98497 -0.012322 0.002825 0.002962
C 5.88064 8.53073 19.98508 0.017624 0.000291 0.002845
C 7.34705 8.53073 19.98127 -0.010611 0.002843 1.3e-05
C 8.08525 9.80403 19.97857 0.003703 -0.002516 -0.001261
C 5.14244 12.35062 19.98688 0.001667 0.009903 0.004648
C 5.88064 11.07732 19.98813 -0.003923 -0.008168 0.005825
C 7.34705 11.07732 19.98641 0.008168 -0.008406 0.004771
C 8.08525 12.35062 19.98764 -0.00637 0.005465 0.005762
C 5.14244 14.89722 19.96871 -0.002746 -0.007867 -0.006014
C 5.88064 13.62392 19.97991 -0.006528 0.012656 -0.000111
C 7.34705 13.62392 19.98379 0.000983 0.005495 0.002365
C 8.08525 14.89722 19.98075 -0.003193 -0.000645 0.000498
C 3.79921 10.92863 28.13284 -0.00434 0.004623 0.002245
C 4.58099 9.82788 27.97503 0.00979 -0.002741 -0.002385
C 0.61991 9.83495 23.34238 0.03215 -0.021151 -0.001326
C 4.34156 8.66938 28.78118 -0.002451 -0.001722 0.00361
C 1.9771 9.39262 23.09017 -0.0279 -0.069966 -0.00012
C 5.20059 9.45324 26.65633 0.004244 0.008126 0.002202
C 4.1435 7.98067 24.28475 0.03371 0.006171 0.000617
C 3.70948 11.13732 25.64546 -0.010981 0.019006 0.001215
C 0.39702 10.9366 24.18084 -0.005358 0.03417 0.002049
C 2.80035 11.20947 24.51791 0.01263 0.030547 0.000606
C 0.61995 7.50413 23.34186 0.022506 0.017131 -0.00138
C 4.5241 10.06774 25.50432 0.007597 -0.017623 -0.000677
C 3.05356 10.08368 23.66478 0.023911 0.014413 0.000158
C 8.24393 11.13737 27.63381 0.001987 0.003132 -0.003291
C 7.42924 10.06777 27.77416 0.006246 -0.004529 0.000746
C 3.05356 7.25533 23.66441 0.029458 -0.022287 0.000143
C 0.33465 11.20936 28.76203 -0.008979 -0.005265 0.000381
C 6.75276 9.4533 26.62188 -0.000586 0.002691 -0.002945
C 1.97712 7.94647 23.08975 -0.02476 0.077159 -0.000192
C 4.14347 9.35825 24.28488 0.037021 -0.00549 0.000762
C 3.43983 11.7964 26.95234 0.007818 0.003215 -0.001752
C 1.98767 12.00559 27.16291 -0.010028 -0.004208 0.00063
C 8.15427 10.92864 25.14637 -0.003324 0.013173 -0.004233
C 0.39706 6.4025 24.18063 -0.005955 -0.034959 0.002093
C 8.51374 11.79636 26.32682 -0.009293 0.003136 0.002303
C 1.51056 11.62521 24.76946 0.002196 0.017846 -0.00175
C 1.14745 12.0055 26.11623 0.008468 -0.005619 3.2e-05
C 1.51057 5.71383 24.76926 0.003225 -0.019611 -0.0025
C 3.34799 8.66936 29.77544 0.001225 -0.00143 -0.000713
C 7.37237 9.82794 25.30325 -0.017071 -0.004587 0.003752
C 8.20869 14.05004 25.14602 -8.4e-05 -0.017031 0.000988
C 0.17218 15.15068 25.30312 0.013476 0.007178 -0.003486
C 5.02949 15.14373 29.9394 0.005856 -0.00758 -0.000131
C 8.75118 1.02967 24.49608 0.016184 -0.001703 0.002596
C 6.38669 0.30653 30.19892 0.018278 -0.003778 -0.000875
C 0.79174 0.24572 26.62171 0.0014 -0.001642 -0.000923
C 8.55306 1.71837 28.994 -0.002022 -0.000372 -0.001373
C 8.11902 13.84126 27.63362 -0.003115 -0.002159 -0.003209
C 4.80655 14.04208 29.09848 0.011399 -0.002589 0.000356
C 7.20986 13.76918 28.76182 0.00826 0.004933 0.000659
C 5.02947 2.19498 29.93935 0.004907 0.007116 -0.00024
C 0.11528 14.9108 27.77404 -0.006902 0.005501 0.000169
C 7.46312 14.89503 29.61587 0.006483 0.003086 -0.001317
C 3.83491 13.8412 25.64538 0.007153 -0.013886 -0.003606
C 3.02035 14.91084 25.50438 -0.002735 0.01543 0.002555
C 7.46309 2.44371 29.6158 0.005092 -0.003745 -0.001404
C 4.74412 13.76925 24.51741 -0.018512 -0.012432 0.001375
C 2.34389 0.24571 26.65647 -0.005677 -0.003809 -0.001347
C 6.38666 1.75264 30.19887 0.020372 0.004542 -0.000953
C 8.5531 0.34079 28.99405 -0.001981 1e-06 -0.001491
C 7.84921 13.1823 26.32665 0.008437 -0.004021 -0.000453
C 6.39704 12.97317 26.11595 -0.009746 0.007194 -0.003237
C 3.74532 14.04998 28.13276 0.003965 -0.005404 -0.000809
C 4.80653 3.29668 29.09845 0.011908 0.002456 3.8e-05
C 4.10465 13.1822 26.95213 -0.005551 -0.004339 0.002576
C 5.92005 13.35339 28.50964 -0.001577 0.004995 -0.00222
C 5.55683 12.97306 27.1626 0.009047 0.002624 0.002737
C 5.92003 3.98534 28.50957 -0.000751 -0.004295 -0.001871
C 7.75756 1.02974 23.50313 0.002464 -0.002009 -0.002769
C 2.96347 15.15066 27.97507 -0.009195 0.004118 0.000226
C 8.15427 6.41026 25.14607 0.001478 -0.015316 -0.004748
C 7.37231 7.51089 25.30306 -0.020203 0.009885 0.004453
C 2.515 7.50395 29.93937 -0.005089 -0.006468 0.000114
C 7.61177 8.66946 24.49659 -0.018452 -0.002206 -0.007397
C 1.1578 7.94631 30.19897 -0.017426 -0.0035 -0.000709
C 6.75275 7.8855 26.62183 -0.000943 -0.001936 -0.004688
C 7.8099 9.35816 28.99414 0.000776 -0.00222 -0.001104
C 8.24394 6.20148 27.63366 0.003976 -0.004068 -0.005008
C 2.73794 6.40229 29.09847 -0.010916 -0.002048 -0.000635
C 0.33463 6.12939 28.76188 -0.008886 0.00456 0.000918
C 2.51503 9.83477 29.93946 -0.00552 0.0054 0.00035
C 7.42922 7.27101 27.77405 0.006245 0.00561 0.002479
C 0.08138 7.25525 29.61588 -0.005365 0.002099 -0.001055
C 3.70958 6.20142 25.64518 -0.012606 -0.017393 0.000493
C 4.52415 7.27106 25.50414 0.008443 0.018178 -0.00051
C 0.0814 10.08349 29.61599 -0.00743 -0.003932 -0.00106
C 2.80038 6.12946 24.51759 0.011749 -0.028438 0.000658
C 5.20061 7.88549 26.65627 0.003453 -0.004297 0.002322
C 1.15784 9.39242 30.19901 -0.018079 0.001684 -0.000659
C 7.80986 7.98058 28.99409 0.00118 0.000834 -0.001777
C 8.51375 5.54252 26.32658 -0.008136 -0.003359 0.002994
C 1.14746 5.33338 26.11595 0.010259 0.006851 0.00261
C 3.79918 6.41019 28.13268 -0.004827 -0.005751 0.001831
C 2.73797 10.93646 29.09863 -0.009966 0.002454 -0.000852
C 3.43984 5.54241 26.95213 0.007023 -0.002982 -0.000813
C 1.62444 5.71361 28.50963 0.002094 0.004823 -3.8e-05
C 1.98766 5.33328 27.16271 -0.010459 0.002325 -0.002373
C 1.62447 11.62512 28.50983 0.000106 -0.002734 -0.000444
C 8.6054 8.66952 23.50302 -0.012056 0.000602 0.001646
C 4.58103 7.51087 27.97497 0.009632 0.004019 -0.002313
C 3.74529 3.28884 28.13275 0.004748 0.005804 -0.000583
C 2.9635 2.1881 27.97508 -0.010845 -0.003295 -2.6e-05
C 6.92459 2.19517 23.34033 -0.01054 -0.00044 -0.000568
C 3.20293 1.0296 28.78132 0.001684 -0.000869 0.001057
C 5.5674 1.75283 23.08759 0.01356 -0.037855 -0.000555
C 2.3439 1.81346 26.65648 -0.006013 0.007363 -0.000712
C 3.40099 0.34088 24.28505 -0.024935 0.005832 -0.000519
C 3.83502 3.49754 25.64541 0.006365 0.015825 -0.002168
C 7.14748 3.29682 24.18033 -0.01111 0.017933 -0.002683
C 4.74414 3.56969 24.5174 -0.021186 0.007629 0.000509
C 6.92455 15.14392 23.34079 -0.009425 -0.002023 -0.000419
C 3.02039 2.42795 25.50443 -0.000342 -0.014858 0.00152
C 4.49094 2.4439 23.66463 -0.026752 0.015832 -0.000106
C 8.11903 3.49758 27.63354 -0.002874 0.002585 -0.002268
C 0.11525 2.42798 27.774 -0.006975 -0.00496 -0.000757
C 4.49093 14.89512 23.66469 -0.02397 -0.011349 -7.8e-05
C 7.20985 3.56957 28.76174 0.008645 -0.004552 -4.4e-05
C 0.79173 1.81351 26.6217 0.001739 0.003031 -0.000291
C 5.56738 0.30669 23.08792 0.013707 0.032166 -0.00054
C 3.40103 1.71846 24.28501 -0.026315 -0.00338 -0.000297
C 4.10466 4.15661 26.95214 -0.007027 0.005182 0.001395
C 5.55682 4.3658 27.16257 0.010685 -0.004266 0.001868
C 8.20868 3.28886 25.14591 0.001885 0.012155 0.001058
C 7.14743 14.04229 24.18053 -0.008721 -0.017618 -0.002297
C 7.84922 4.15657 26.32657 0.006327 0.002654 -0.001609
C 6.03393 3.98542 24.76891 0.017894 0.021715 0.00032
C 6.39704 4.36571 26.11589 -0.010354 -0.006544 -0.002827
C 6.03392 13.35361 24.76904 0.012293 -0.022215 0.000252
C 4.1965 1.02958 29.77548 -0.000965 -2.7e-05 -0.000345
C 0.17212 2.18816 25.30315 0.013415 -0.003382 -0.00385
168
energy=-1515.04570434 config_type=nep2xyz pbc="T T T" virial="-38.24308387996766 -0.06294849821469115 -0.00681206193104874 -0.06294849821469115 -43.4754202392532 0.007611007466171741 -0.00681206193104874 0.007611007466171741 -4.95695244825814" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98569 -0.009488 0.003451 0.004163
C 1.47141 0.89094 19.98756 0.001412 0.00137 0.004781
C 2.93782 0.89094 19.98406 0.001751 0.003073 0.001525
C 3.67602 2.16424 19.97902 0.01939 -0.00136 -0.001095
C 0.73321 4.71084 19.9884 0.005523 0.010774 0.006299
C 1.47141 3.43754 19.98912 -0.001861 -0.009492 0.007049
C 2.93782 3.43754 19.98729 0.006911 -0.006618 0.004744
C 3.67602 4.71084 19.98739 -0.003396 0.004679 0.004238
C 0.73321 7.25743 19.97452 -0.008009 0.010316 -0.003049
C 1.47141 5.98413 19.98347 7.9e-05 0.000307 0.002
C 2.93782 5.98413 19.98409 0.006035 0.010595 0.001789
C 3.67602 7.25743 19.97653 0.000906 0.007657 -0.002063
C 0.73321 9.80403 19.97061 -8.2e-05 -0.008699 -0.005495
C 1.47141 8.53073 19.96345 -0.010782 0.003269 -0.008301
C 2.93782 8.53073 19.96529 0.016931 -0.001488 -0.007547
C 3.67602 9.80403 19.97352 0.001974 -0.009285 -0.004096
C 0.73321 12.35062 19.98615 0.009511 -0.008732 0.004886
C 1.47141 11.07732 19.97683 0.004968 -0.001268 -0.001845
C 2.93782 11.07732 19.97791 -0.000886 -0.000758 -0.001745
C 3.67602 12.35062 19.98544 -0.006576 -0.011785 0.003356
C 0.73321 14.89722 19.98705 -0.009861 0.002869 0.005286
C 1.47141 13.62392 19.9886 -0.002717 -0.001754 0.006823
C 2.93782 13.62392 19.98678 0.012601 0.014536 0.004673
C 3.67602 14.89722 19.98076 0.013495 -0.012073 0.000224
C 5.14244 2.16424 19.96582 -0.007242 0.018706 -0.007629
C 5.88064 0.89094 19.96063 0.007586 -0.010817 -0.009675
C 7.34705 0.89094 19.96826 -0.001865 0.007801 -0.006707
C 8.08525 2.16424 19.97642 -0.001942 -0.010469 -0.002574
C 5.14244 4.71084 19.98474 0.008108 -0.012597 0.002309
C 5.88064 3.43754 19.97419 -0.008823 -0.008531 -0.003669
C 7.34705 3.43754 19.97823 -0.002777 0.009048 -0.001454
C 8.08525 4.71084 19.98619 -0.011773 -0.014338 0.004391
C 5.14244 7.25743 19.98439 -0.018006 0.001193 0.002504
C 5.88064 5.98413 19.98751 -0.004654 0.000423 0.004628
C 7.34705 5.98413 19.98712 0.008157 0.011033 0.004706
C 8.08525 7.25743 19.98223 0.006223 -0.005042 0.001324
C 5.14244 9.80403 19.98372 -0.015713 0.00376 0.001833
C 5.88064 8.53073 19.98531 0.013872 0.000401 0.002787
C 7.34705 8.53073 19.98368 -0.007293 0.004861 0.001837
C 8.08525 9.80403 19.98075 0.006135 -0.006072 0.000479
C 5.14244 12.35062 19.98732 -0.001996 0.006242 0.004512
C 5.88064 11.07732 19.98827 -0.003405 -0.009854 0.005576
C 7.34705 11.07732 19.98749 0.004055 -0.006285 0.005561
C 8.08525 12.35062 19.98823 -0.003999 0.004354 0.006225
C 5.14244 14.89722 19.97083 -0.002395 -0.000703 -0.004642
C 5.88064 13.62392 19.98204 -0.005266 0.01437 0.000856
C 7.34705 13.62392 19.9848 0.002267 0.007097 0.002829
C 8.08525 14.89722 19.98019 -0.004588 0.003689 0.0
C 4.03677 11.16619 28.13292 -0.00502 0.005342 0.001386
C 4.81855 10.06545 27.97515 0.010818 -0.003816 -0.001548
C 0.85747 10.07251 23.34195 0.035732 -0.018649 -0.00176
C 4.57912 8.90694 28.78129 -0.002888 -0.002232 0.00402
C 2.21466 9.63018 23.08955 -0.02449 -0.058383 -0.000169
C 5.43816 9.6908 26.65651 0.005426 0.006937 -0.000822
C 4.38106 8.21823 24.28474 0.02536 0.001428 0.00089
C 3.94704 11.37488 25.64571 -0.007888 0.015878 -0.003181
C 0.63458 11.17417 24.18068 -0.001358 0.032572 0.003494
C 3.03791 11.44703 24.51799 0.019065 0.02494 0.002877
C 0.85751 7.74169 23.34113 0.014046 0.007306 -0.001781
C 4.76166 10.3053 25.50448 0.005621 -0.015036 0.00273
C 3.29112 10.32124 23.6652 0.019099 0.007212 -0.000291
C 8.48149 11.37493 27.6338 0.001943 0.002987 -0.004615
C 7.6668 10.30533 27.77411 0.007377 -0.004571 0.000628
C 3.29113 7.49289 23.66441 0.031037 -0.018328 -0.00021
C 0.57221 11.44692 28.76199 -0.007918 -0.004841 0.00112
C 6.99032 9.69086 26.6218 3.7e-05 0.002724 -0.002279
C 2.21468 8.18403 23.08875 -0.015292 0.077017 -0.000318
C 4.38103 9.59581 24.28501 0.034308 0.001033 -0.000209
C 3.67739 12.03396 26.95241 0.008104 0.004506 0.00078
C 2.22523 12.24315 27.16287 -0.009284 -0.005261 0.003703
C 8.39183 11.1662 25.14636 -0.003378 0.010657 -0.005388
C 0.63462 6.64006 24.18037 -0.003829 -0.027755 0.00263
C 8.7513 12.03392 26.32678 -0.00836 0.00466 0.003701
C 1.74812 11.86277 24.76944 -0.006275 0.013793 -0.003157
C 1.38501 12.24306 26.11626 0.006928 -0.005022 -0.001649
C 1.74813 5.95139 24.76917 0.001222 -0.018039 -0.002387
C 3.58555 8.90692 29.77554 0.001296 -0.001319 -0.00111
C 7.60993 10.0655 25.30318 -0.016039 -0.00272 0.003764
C 8.44625 14.28761 25.14609 -2.3e-05 -0.016573 0.002237
C 0.40974 0.10867 25.30321 0.014777 0.008888 -0.004902
C 5.26705 0.10172 29.93948 0.005791 -0.006658 0.000137
C 0.17028 1.26723 24.49616 0.014372 -0.003877 0.006142
C 6.62425 0.54409 30.19896 0.018571 -0.003841 -0.000675
C 1.0293 0.48328 26.62178 0.000849 -0.001269 -0.001673
C 8.79062 1.95593 28.99409 -0.002281 -0.000394 -0.001136
C 8.35658 14.07882 27.63368 -0.002376 -0.003175 -0.004278
C 5.04411 14.27964 29.09858 0.011054 -0.002931 2e-06
C 7.44742 14.00674 28.76185 0.008178 0.005116 0.001615
C 5.26703 2.43254 29.93942 0.004487 0.007352 0.000108
C 0.35284 15.14836 27.77407 -0.006735 0.006567 0.001868
C 7.70068 15.13259 29.61591 0.006875 0.00354 -0.001216
C 4.07247 14.07876 25.64541 0.008937 -0.016129 -0.001355
C 3.25791 15.1484 25.50447 -0.00397 0.016098 0.000882
C 7.70065 2.68127 29.61589 0.005553 -0.003267 -0.001245
C 4.98168 14.00681 24.51759 -0.016143 -0.01936 0.000861
C 2.58145 0.48327 26.65651 -0.006253 -0.002994 0.000898
C 6.62422 1.9902 30.19892 0.020179 0.003699 -0.000791
C 8.79066 0.57835 28.99411 -0.000884 0.000417 -0.001735
C 8.08677 13.41986 26.32671 0.007961 -0.004107 -0.000456
C 6.6346 13.21073 26.11603 -0.008608 0.007189 -0.002194
C 3.98288 14.28754 28.13285 0.004621 -0.006009 0.000787
C 5.04409 3.53424 29.09853 0.010933 0.00206 -0.000402
C 4.34221 13.41976 26.95226 -0.006024 -0.003606 0.000254
C 6.15761 13.59095 28.50971 -0.002161 0.0042 -0.00258
C 5.79439 13.21062 27.16269 0.008274 0.001887 0.003519
C 6.15759 4.2229 28.50965 -0.000736 -0.004069 -0.002152
C 7.99512 1.2673 23.50336 0.008311 -0.003956 -0.003892
C 3.20103 0.10865 27.97517 -0.010378 0.00375 -0.001323
C 8.39183 6.64782 25.14581 0.007599 -0.018418 -0.005229
C 7.60987 7.74845 25.30283 -0.021913 0.01567 0.004401
C 2.75256 7.74151 29.93936 -0.005864 -0.007629 0.000226
C 7.84933 8.90702 24.49633 -0.011795 -0.004534 -0.00764
C 1.39536 8.18387 30.19887 -0.019188 -0.004957 -0.000802
C 6.99031 8.12306 26.62169 -0.000396 -0.002105 -0.004949
C 8.04746 9.59572 28.99412 0.000819 -0.002022 -0.00111
C 8.4815 6.43904 27.63352 0.003648 -0.003213 -0.004694
C 2.97551 6.63985 29.09845 -0.011396 -0.001463 -0.001166
C 0.57219 6.36695 28.76176 -0.008444 0.00431 0.000644
C 2.75259 10.07233 29.93951 -0.00478 0.005029 0.000374
C 7.66678 7.50857 27.77394 0.006959 0.005922 0.002036
C 0.31894 7.49281 29.61577 -0.005153 0.003008 -0.001016
C 3.94714 6.43898 25.64516 -0.011407 -0.015785 0.001122
C 4.76171 7.50862 25.50423 0.006061 0.016088 -0.001601
C 0.31896 10.32106 29.61598 -0.007984 -0.004233 -0.000891
C 3.03794 6.36702 24.51747 0.01205 -0.023653 0.000607
C 5.43817 8.12305 26.65632 0.004781 -0.004175 0.003552
C 1.3954 9.62998 30.19897 -0.019742 0.001969 -0.000689
C 8.04742 8.21814 28.99398 0.001479 0.000313 -0.00171
C 8.75131 5.78008 26.32646 -0.008159 -0.003127 0.003235
C 1.38502 5.57094 26.1159 0.008428 0.008169 -0.002143
C 4.03674 6.64775 28.13268 -0.005742 -0.005977 0.00234
C 2.97553 11.17402 29.09866 -0.010705 0.003193 -0.000525
C 3.6774 5.77997 26.95213 0.006991 -0.003113 -0.002307
C 1.862 5.95117 28.50957 0.002169 0.003957 -0.001829
C 2.22522 5.57084 27.16256 -0.008854 0.001849 0.003144
C 1.86203 11.86268 28.50989 0.000302 -0.002793 -0.002258
C 0.0245 8.90708 23.5026 -0.019854 -0.001833 0.001677
C 4.81859 7.74844 27.97507 0.01062 0.003994 -0.003214
C 3.98285 3.5264 28.13279 0.005331 0.006031 0.000265
C 3.20107 2.42566 27.97514 -0.011024 -0.003411 -0.000611
C 7.16215 2.43273 23.34055 -0.016661 -0.006792 1.1e-05
C 3.44049 1.26716 28.78138 0.002057 -0.000336 0.002719
C 5.80496 1.99039 23.08814 0.019983 -0.044756 -0.000412
C 2.58146 2.05102 26.65654 -0.006048 0.007216 -0.001248
C 3.63855 0.57844 24.28518 -0.024389 0.006316 0.000125
C 4.07258 3.7351 25.64547 0.008262 0.017217 -0.001923
C 7.38504 3.53438 24.18044 -0.011185 0.024864 -0.003445
C 4.9817 3.80725 24.51756 -0.024342 0.008568 0.000532
C 7.16211 0.10191 23.34124 -0.009475 -0.003811 -3.2e-05
C 3.25795 2.66551 25.50449 -0.00203 -0.01648 0.002017
C 4.7285 2.68146 23.66484 -0.029211 0.017907 4.6e-05
C 8.35659 3.73514 27.63365 -0.001797 0.002783 -0.003348
C 0.35281 2.66554 27.7741 -0.005954 -0.004922 -0.000524
C 4.72849 15.13268 23.66479 -0.026393 -0.009504 7.6e-05
C 7.44741 3.80713 28.76182 0.007363 -0.004863 0.000815
C 1.0293 2.05107 26.62178 0.002219 0.003516 0.001433
C 5.80494 0.54425 23.08853 0.016573 0.042991 -0.000337
C 3.63859 1.95602 24.28513 -0.028128 -0.002345 -0.00033
C 4.34222 4.39417 26.95221 -0.007743 0.0052 0.000907
C 5.79438 4.60336 27.16262 0.009092 -0.00478 0.004036
C 8.44624 3.52642 25.14605 0.004683 0.007588 0.002667
C 7.38499 14.27985 24.1807 -0.005267 -0.017881 -0.002725
C 8.08678 4.39413 26.32664 0.006504 0.002719 -0.000756
C 6.2715 4.22298 24.76898 0.020227 0.019706 0.001124
C 6.6346 4.60327 26.116 -0.009059 -0.006569 -0.004401
C 6.27148 13.59117 24.76922 0.005393 -0.02095 -6.1e-05
C 4.43406 1.26714 29.77557 -0.001527 -4.5e-05 -0.000811
C 0.40968 2.42572 25.30334 0.010969 0.000961 -0.006154
168
energy=-1515.04443085 config_type=nep2xyz pbc="T T T" virial="-38.27361200936235 -0.03300906553008186 -0.0029014337854466857 -0.03300906553008186 -43.52457641454576 0.018207548247803115 -0.0029014337854466857 0.018207548247803115 -4.917089271032003" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98437 -0.008942 0.000997 0.00289
C 1.47141 0.89094 19.98714 0.002935 0.004075 0.004592
C 2.93782 0.89094 19.98517 -0.00356 0.001256 0.002404
C 3.67602 2.16424 19.98055 0.024141 -0.001612 -0.000572
C 0.73321 4.71084 19.98841 0.002443 0.007475 0.006527
C 1.47141 3.43754 19.98878 -0.001479 -0.010004 0.006908
C 2.93782 3.43754 19.98776 0.003308 -0.004472 0.005043
C 3.67602 4.71084 19.98734 0.001225 0.003052 0.004238
C 0.73321 7.25743 19.97769 -0.004844 0.011509 -0.00131
C 1.47141 5.98413 19.98503 -0.001271 0.001911 0.003222
C 2.93782 5.98413 19.98451 0.006844 0.01288 0.002196
C 3.67602 7.25743 19.97577 0.000153 0.007576 -0.002405
C 0.73321 9.80403 19.97171 0.004054 -0.010747 -0.005358
C 1.47141 8.53073 19.96541 -0.010029 0.007779 -0.008126
C 2.93782 8.53073 19.9642 0.013785 -0.006809 -0.008609
C 3.67602 9.80403 19.96991 0.006361 3.3e-05 -0.006314
C 0.73321 12.35062 19.98489 0.010109 -0.011298 0.00408
C 1.47141 11.07732 19.97472 0.003698 0.002422 -0.003347
C 2.93782 11.07732 19.97406 0.004445 -0.00144 -0.004104
C 3.67602 12.35062 19.98396 -0.00756 -0.014725 0.002137
C 0.73321 14.89722 19.98641 -0.010116 0.001543 0.004755
C 1.47141 13.62392 19.98788 -0.003082 -0.000534 0.006113
C 2.93782 13.62392 19.98677 0.009628 0.009484 0.004497
C 3.67602 14.89722 19.98277 0.014574 -0.008712 0.001265
C 5.14244 2.16424 19.96637 -0.009822 0.012308 -0.00798
C 5.88064 0.89094 19.96209 -0.005178 -0.012605 -0.009781
C 7.34705 0.89094 19.96684 0.005596 0.008657 -0.007943
C 8.08525 2.16424 19.97372 -0.003649 -0.012015 -0.004685
C 5.14244 4.71084 19.98348 0.008921 -0.015753 0.001537
C 5.88064 3.43754 19.9722 -0.009556 -0.003479 -0.005108
C 7.34705 3.43754 19.9751 -0.002746 0.009204 -0.003541
C 8.08525 4.71084 19.98493 -0.011905 -0.014654 0.003781
C 5.14244 7.25743 19.98402 -0.017766 -0.001487 0.00228
C 5.88064 5.98413 19.98696 -0.005018 0.002137 0.004358
C 7.34705 5.98413 19.98736 0.005238 0.005551 0.0053
C 8.08525 7.25743 19.98476 0.009347 -0.002682 0.003365
C 5.14244 9.80403 19.98249 -0.020895 0.001622 0.000895
C 5.88064 8.53073 19.98565 0.009574 0.000486 0.003203
C 7.34705 8.53073 19.98578 -0.005089 0.005556 0.003647
C 8.08525 9.80403 19.98263 0.008754 -0.004602 0.00177
C 5.14244 12.35062 19.98738 -0.004261 0.002833 0.004609
C 5.88064 11.07732 19.98814 -0.001805 -0.007715 0.005621
C 7.34705 11.07732 19.98816 0.001267 -0.006999 0.00635
C 8.08525 12.35062 19.98828 -0.00117 0.004439 0.006522
C 5.14244 14.89722 19.97365 -0.000596 0.006548 -0.003652
C 5.88064 13.62392 19.98381 -0.004538 0.014356 0.001857
C 7.34705 13.62392 19.98541 0.002601 0.005657 0.003376
C 8.08525 14.89722 19.97957 -0.001726 0.00849 -0.000393
C 4.27433 11.40375 28.13287 -0.005033 0.005114 0.000548
C 5.05611 10.30301 27.97509 0.009534 -0.003746 -0.001037
C 1.09503 10.31007 23.34174 0.032189 -0.017123 -0.001307
C 4.81668 9.14451 28.78126 -0.003534 -0.001481 0.003781
C 2.45222 9.86774 23.0885 -0.026747 -0.049818 -0.000266
C 5.67572 9.92836 26.65646 0.004449 0.006723 -0.001763
C 4.61862 8.45579 24.28457 0.01906 -0.005369 0.001327
C 4.1846 11.61244 25.64565 -0.007809 0.015019 -0.003803
C 0.87214 11.41173 24.18069 0.001276 0.027739 0.002005
C 3.27547 11.68459 24.51793 0.020485 0.016757 0.002658
C 1.09507 7.97925 23.34125 0.007156 0.001084 -0.001415
C 4.99922 10.54286 25.50437 0.003197 -0.015362 0.003287
C 3.52868 10.5588 23.66508 0.024676 0.006983 -0.000185
C 8.71905 11.61249 27.63384 0.001584 0.002722 -0.004601
C 7.90436 10.54289 27.77419 0.006505 -0.00446 0.000691
C 3.52869 7.73045 23.66436 0.033567 -0.013937 -7.3e-05
C 0.80977 11.68448 28.76198 -0.007475 -0.004793 0.001217
C 7.22788 9.92842 26.62187 -0.001612 0.002342 -0.001687
C 2.45224 8.42159 23.0879 -0.014853 0.067833 -0.000332
C 4.61859 9.83337 24.28479 0.029274 0.009723 -0.000501
C 3.91495 12.27152 26.95234 0.008046 0.00525 0.002489
C 2.46279 12.48071 27.16288 -0.008853 -0.005149 0.000121
C 8.62939 11.40376 25.14645 -0.005384 0.008641 -0.00406
C 0.87218 6.87762 24.18054 -0.003083 -0.018626 0.001574
C 0.1704 12.27148 26.32685 -0.008111 0.004744 0.002761
C 1.98568 12.10033 24.7694 -0.008807 0.012938 -0.002998
C 1.62258 12.48062 26.11622 0.006557 -0.004051 0.001056
C 1.98569 6.18895 24.76934 0.003823 -0.017349 -0.002123
C 3.82311 9.14448 29.7755 0.001558 -0.000537 -0.00101
C 7.84749 10.30306 25.30332 -0.013487 0.000134 0.002695
C 8.68381 14.52517 25.14615 -0.002756 -0.017707 0.000207
C 0.6473 0.34623 25.30322 0.016398 0.01036 -0.00108
C 5.50461 0.33928 29.93946 0.005136 -0.006536 0.000304
C 0.40784 1.50479 24.49644 0.010553 -0.00518 0.000522
C 6.86181 0.78165 30.199 0.018967 -0.004063 -0.000582
C 1.26686 0.72084 26.62185 0.000989 -0.001197 -0.002995
C 0.20972 2.19349 28.99422 -0.001321 -0.000892 -0.000875
C 8.59414 14.31639 27.63373 -0.003335 -0.002451 -0.002372
C 5.28167 14.5172 29.09858 0.01017 -0.001664 -0.000561
C 7.68498 14.2443 28.76197 0.008538 0.004313 0.000525
C 5.50459 2.6701 29.93946 0.00432 0.005266 0.000183
C 0.5904 0.10635 27.77416 -0.006408 0.006196 0.001158
C 7.93824 0.09058 29.616 0.006226 0.002929 -0.001046
C 4.31003 14.31632 25.64528 0.01125 -0.017397 0.002735
C 3.49547 0.10639 25.50433 -0.005278 0.017318 -0.002419
C 7.93821 2.91883 29.61601 0.006444 -0.00422 -0.001054
C 5.21924 14.24437 24.51766 -0.01099 -0.022068 -0.000566
C 2.81901 0.72083 26.65638 -0.00433 -0.003253 0.004156
C 6.86178 2.22776 30.19898 0.018688 0.003384 -0.000682
C 0.20976 0.81591 28.99419 -0.001171 0.00021 -0.001369
C 8.32433 13.65742 26.3268 0.008571 -0.004145 -0.000776
C 6.87216 13.44829 26.11613 -0.007747 0.007067 -0.001119
C 4.22044 14.5251 28.13279 0.004747 -0.005283 0.002306
C 5.28165 3.7718 29.09859 0.010298 0.002493 -0.000104
C 4.57977 13.65732 26.95229 -0.00585 -0.002489 -0.002717
C 6.39517 13.82851 28.50977 -0.001274 0.003327 -0.0015
C 6.03195 13.44818 27.16277 0.008247 0.001239 0.002537
C 6.39515 4.46046 28.5098 -0.000172 -0.003895 -0.00178
C 8.23268 1.50486 23.50337 0.015467 -0.004135 -0.001511
C 3.43859 0.34621 27.97511 -0.010262 0.003489 -0.002819
C 8.62939 6.88538 25.14596 0.008254 -0.019302 -0.004087
C 7.84743 7.98601 25.30296 -0.021027 0.016587 0.003677
C 2.99012 7.97907 29.93942 -0.00483 -0.006754 0.000104
C 8.08689 9.14458 24.49639 -0.00854 -0.006226 -0.006152
C 1.63292 8.42144 30.19896 -0.018291 -0.004977 -0.000724
C 7.22787 8.36062 26.62177 -0.000635 -0.002047 -0.005593
C 8.28502 9.83328 28.99419 0.001115 -0.000895 -0.001158
C 8.71906 6.6766 27.63365 0.003048 -0.002852 -0.005145
C 3.21307 6.87741 29.09853 -0.010037 -0.001822 -0.000778
C 0.80976 6.60451 28.76185 -0.00835 0.004742 0.001242
C 2.99015 10.30989 29.93948 -0.004343 0.005425 0.000199
C 7.90434 7.74613 27.77403 0.007101 0.006969 0.00281
C 0.5565 7.73037 29.61589 -0.006326 0.003252 -0.001189
C 4.1847 6.67654 25.64518 -0.010762 -0.015609 0.002729
C 4.99927 7.74618 25.50419 0.004878 0.01594 -0.003043
C 0.55652 10.55862 29.61602 -0.00722 -0.004224 -0.001039
C 3.2755 6.60458 24.51755 0.010259 -0.020766 -0.000252
C 5.67573 8.36061 26.65625 0.004369 -0.003204 0.005168
C 1.63296 9.86755 30.19897 -0.019553 0.003026 -0.000699
C 8.28498 8.4557 28.9941 0.000931 0.00019 -0.001824
C 0.17041 6.01764 26.32662 -0.008664 -0.003615 0.002655
C 1.62258 5.8085 26.11603 0.008759 0.008046 -0.000644
C 4.2743 6.88531 28.13273 -0.005682 -0.005098 0.002453
C 3.21309 11.41158 29.09862 -0.009708 0.002288 -0.000178
C 3.91496 6.01753 26.95223 0.005249 -0.002311 -0.003188
C 2.09956 6.18873 28.50971 0.002481 0.003123 -0.001693
C 2.46278 5.8084 27.16272 -0.008425 0.000624 0.001972
C 2.09959 12.10024 28.50987 0.000714 -0.00331 -0.001473
C 0.26206 9.14464 23.5028 -0.021874 -0.003279 0.001
C 5.05615 7.986 27.97504 0.010529 0.00417 -0.003603
C 4.22041 3.76396 28.13287 0.005813 0.0056 0.000345
C 3.43863 2.66322 27.97511 -0.009663 -0.003938 -0.000424
C 7.39971 2.67029 23.34132 -0.024739 -0.014097 -0.000526
C 3.67806 1.50472 28.78131 0.002786 -0.001091 0.003399
C 6.04252 2.22795 23.08832 0.026297 -0.048272 -0.000282
C 2.81902 2.28858 26.65651 -0.003755 0.006741 -0.00216
C 3.87611 0.816 24.28485 -0.020885 -0.000982 0.001285
C 4.31014 3.97266 25.64556 0.009407 0.01673 -0.002754
C 7.6226 3.77194 24.18065 -0.006536 0.02738 -0.001037
C 5.21926 4.04481 24.51781 -0.02166 0.01177 0.001424
C 7.39967 0.33947 23.34158 -0.008021 -0.001966 -0.000469
C 3.49551 2.90307 25.50439 -0.003422 -0.017812 0.00316
C 4.96606 2.91902 23.66492 -0.03103 0.014079 8e-05
C 8.59415 3.9727 27.63381 -0.001653 0.002469 -0.002643
C 0.59037 2.9031 27.77424 -0.005611 -0.004699 -0.000716
C 4.96605 0.09067 23.66454 -0.034027 -0.011027 0.000268
C 7.68497 4.04469 28.76198 0.007819 -0.003884 0.000656
C 1.26686 2.28863 26.6219 0.002111 0.00328 0.000696
C 6.0425 0.78181 23.08828 0.017484 0.056307 -0.00023
C 3.87615 2.19358 24.28493 -0.027929 0.006874 -0.000563
C 4.57978 4.63173 26.95229 -0.009191 0.005221 0.001804
C 6.03194 4.84092 27.16279 0.00952 -0.004111 0.00199
C 8.6838 3.76398 25.14634 0.007173 0.006485 4e-05
C 7.62255 14.51741 24.18077 -0.000141 -0.017445 -0.001228
C 8.32434 4.63169 26.32683 0.007357 0.004035 -0.000289
C 6.50906 4.46054 24.76924 0.014852 0.015956 -0.000648
C 6.87216 4.84083 26.11616 -0.007327 -0.005097 -0.001314
C 6.50904 13.82873 24.76939 -0.002876 -0.019326 -0.000251
C 4.67162 1.5047 29.77554 -0.001722 -0.000621 -0.000833
C 0.64724 2.66328 25.30348 0.011487 0.002901 -0.002192
168
energy=-1515.04385549 config_type=nep2xyz pbc="T T T" virial="-38.31776426261915 0.01732450318266717 0.007400758641139373 0.01732450318266717 -43.56300989976168 0.01463331822225285 0.007400758641139373 0.01463331822225285 -4.904011794114989" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98316 -0.01114 -0.002507 0.002097
C 1.47141 0.89094 19.98679 0.004449 0.006054 0.004556
C 2.93782 0.89094 19.98631 -0.007469 0.000699 0.003708
C 3.67602 2.16424 19.98225 0.02367 0.000581 0.000684
C 0.73321 4.71084 19.98808 -0.001667 0.00309 0.006286
C 1.47141 3.43754 19.98827 0.000655 -0.007316 0.006309
C 2.93782 3.43754 19.98806 -0.000674 -0.005479 0.005459
C 3.67602 4.71084 19.98729 0.006266 0.001787 0.004417
C 0.73321 7.25743 19.98001 0.001417 0.009971 2e-06
C 1.47141 5.98413 19.98606 -0.003243 0.005042 0.003961
C 2.93782 5.98413 19.98501 0.005097 0.011462 0.002781
C 3.67602 7.25743 19.97599 -0.002581 0.011657 -0.00246
C 0.73321 9.80403 19.97222 0.004191 -0.008707 -0.005464
C 1.47141 8.53073 19.96707 -0.0066 0.007776 -0.007851
C 2.93782 8.53073 19.96368 0.011752 -0.012231 -0.009197
C 3.67602 9.80403 19.96646 0.01098 0.00742 -0.00793
C 0.73321 12.35062 19.98367 0.010701 -0.014227 0.002887
C 1.47141 11.07732 19.97251 0.000364 0.005942 -0.00488
C 2.93782 11.07732 19.97014 0.011335 0.001065 -0.00617
C 3.67602 12.35062 19.98224 -0.009134 -0.017737 0.00087
C 0.73321 14.89722 19.986 -0.010136 -0.001093 0.004385
C 1.47141 13.62392 19.98726 -0.003835 0.001959 0.005271
C 2.93782 13.62392 19.98671 0.005171 0.001825 0.004221
C 3.67602 14.89722 19.98472 0.015463 -0.002736 0.002774
C 5.14244 2.16424 19.96824 -0.009062 0.002644 -0.007011
C 5.88064 0.89094 19.96475 -0.014247 -0.00911 -0.008617
C 7.34705 0.89094 19.96665 0.007971 0.008316 -0.007821
C 8.08525 2.16424 19.97143 -0.005074 -0.007925 -0.005742
C 5.14244 4.71084 19.98257 0.008475 -0.017084 0.001253
C 5.88064 3.43754 19.97112 -0.009469 0.001365 -0.005522
C 7.34705 3.43754 19.9724 -0.00068 0.001957 -0.004651
C 8.08525 4.71084 19.98361 -0.0093 -0.012524 0.002987
C 5.14244 7.25743 19.98426 -0.01375 -0.006434 0.002283
C 5.88064 5.98413 19.98669 -0.007719 0.00538 0.004305
C 7.34705 5.98413 19.98745 0.002806 -0.000701 0.005548
C 8.08525 7.25743 19.9866 0.009874 0.000639 0.00479
C 5.14244 9.80403 19.98134 -0.025815 -0.000978 -8e-05
C 5.88064 8.53073 19.9861 0.00497 0.000782 0.003327
C 7.34705 8.53073 19.98731 -0.003551 0.005583 0.004862
C 8.08525 9.80403 19.98384 0.010641 -0.000122 0.002534
C 5.14244 12.35062 19.98722 -0.004478 0.002406 0.004224
C 5.88064 11.07732 19.98789 -0.000249 -0.003461 0.00516
C 7.34705 11.07732 19.98855 -0.000229 -0.009131 0.006438
C 8.08525 12.35062 19.98818 0.00084 0.004409 0.006422
C 5.14244 14.89722 19.97686 0.00246 0.01101 -0.001829
C 5.88064 13.62392 19.98528 -0.006944 0.01068 0.002939
C 7.34705 13.62392 19.98596 0.002558 0.003634 0.004028
C 8.08525 14.89722 19.97934 0.001837 0.011036 -0.000249
C 4.51189 11.64131 28.13278 -0.005437 0.00517 0.001294
C 5.29367 10.54057 27.975 0.00893 -0.003334 -0.001538
C 1.33259 10.54763 23.34189 0.025083 -0.016498 -0.000874
C 5.05424 9.38207 28.78123 -0.003134 -0.001017 0.003767
C 2.68978 10.1053 23.0878 -0.02979 -0.048743 -0.000283
C 5.91328 10.16592 26.65635 0.003597 0.006535 -0.00035
C 4.85619 8.69335 24.28444 0.018496 -0.010251 0.001288
C 4.42216 11.85 25.64544 -0.010047 0.017074 0.000114
C 1.1097 11.64929 24.1808 0.002574 0.024176 0.000359
C 3.51304 11.92215 24.51786 0.01708 0.013136 0.000373
C 1.33263 8.21681 23.342 0.008107 0.002872 -0.000843
C 5.23678 10.78042 25.50419 0.002836 -0.018447 0.000785
C 3.76624 10.79636 23.66463 0.035986 0.01226 0.000105
C 0.13815 11.85005 27.63387 0.00199 0.003198 -0.002665
C 8.14192 10.78045 27.77433 0.004895 -0.004381 -0.000283
C 3.76625 7.96801 23.66424 0.03989 -0.011427 0.000236
C 1.04733 11.92204 28.76203 -0.007691 -0.004572 0.000618
C 7.46544 10.16598 26.62202 -0.001769 0.002491 -0.000442
C 2.6898 8.65915 23.08765 -0.020958 0.056854 -0.000336
C 4.85615 10.07093 24.28451 0.026646 0.014924 8.1e-05
C 4.15251 12.50908 26.95228 0.008016 0.005091 -0.000554
C 2.70035 12.71827 27.16288 -0.00766 -0.004301 0.002277
C 0.04849 11.64132 25.14653 -0.007869 0.006874 -0.001901
C 1.10974 7.11518 24.18087 -0.002881 -0.015259 0.000326
C 0.40796 12.50904 26.32692 -0.00794 0.004121 0.000867
C 2.22324 12.33789 24.7694 -0.005284 0.015598 -0.000785
C 1.86014 12.71818 26.11626 0.00796 -0.004446 -0.001673
C 2.22325 6.42651 24.76951 0.009031 -0.018665 -0.001697
C 4.06067 9.38204 29.77548 0.001902 0.000123 -0.000986
C 8.08505 10.54062 25.30359 -0.011031 0.003586 0.000684
C 0.10291 14.76273 25.14616 -0.004691 -0.01829 -0.003879
C 0.88486 0.58379 25.3032 0.018242 0.012575 0.003656
C 5.74217 0.57685 29.93941 0.004693 -0.006434 5.3e-05
C 0.6454 1.74235 24.49668 0.008765 -0.005367 -0.006157
C 7.09937 1.01921 30.19895 0.017543 -0.004643 -0.000691
C 1.50442 0.9584 26.62194 0.001172 -0.001732 -0.005806
C 0.44728 2.43105 28.99428 -0.000343 -0.000846 -0.000778
C 0.01324 14.55395 27.63374 -0.003582 -0.003054 -0.004369
C 5.51923 14.75476 29.09851 0.010726 -0.001362 -0.000592
C 7.92254 14.48186 28.76193 0.008403 0.003973 0.000899
C 5.74215 2.90766 29.93948 0.004528 0.005327 8.7e-05
C 0.82796 0.34391 27.77417 -0.005566 0.006169 0.00264
C 8.1758 0.32814 29.61595 0.005805 0.002873 -0.00108
C 4.54759 14.55388 25.64511 0.011702 -0.01551 0.002329
C 3.73303 0.34395 25.50403 -0.005264 0.017889 -0.00321
C 8.17577 3.15639 29.61609 0.006726 -0.004263 -0.000989
C 5.4568 14.48193 24.51754 -0.007201 -0.018746 -0.000264
C 3.05657 0.95839 26.65618 -0.003309 -0.00353 0.005301
C 7.09934 2.46532 30.19899 0.017469 0.003263 -0.000649
C 0.44732 1.05347 28.99419 -0.000811 -0.000352 -0.00179
C 8.56189 13.89498 26.32673 0.008861 -0.004623 0.00219
C 7.10972 13.68585 26.11611 -0.007752 0.006959 -0.001278
C 4.458 14.76266 28.1327 0.005167 -0.004841 0.001876
C 5.51921 4.00936 29.09861 0.010682 0.001966 8.9e-05
C 4.81733 13.89488 26.95217 -0.007494 -0.002737 -0.002325
C 6.63273 14.06607 28.50974 -0.001182 0.003021 -0.001742
C 6.26952 13.68574 27.16274 0.007133 0.001191 0.002258
C 6.63271 4.69802 28.5099 0.000685 -0.002445 -0.001837
C 8.47024 1.74242 23.50317 0.019959 -0.003019 0.00112
C 3.67615 0.58377 27.97499 -0.009329 0.004221 -0.003227
C 0.04849 7.12294 25.14632 0.002017 -0.017326 -0.002227
C 8.085 8.22357 25.30334 -0.01677 0.009995 0.00224
C 3.22768 8.21663 29.93944 -0.004439 -0.005478 0.000139
C 8.32445 9.38214 24.49675 -0.010272 -0.005009 -0.00347
C 1.87048 8.659 30.19903 -0.017884 -0.00448 -0.000527
C 7.46543 8.59818 26.62199 -0.001764 -0.001169 -0.005169
C 8.52258 10.07084 28.99428 0.001436 -0.000457 -0.000731
C 0.13816 6.91416 27.63381 0.00226 -0.002723 -0.004218
C 3.45063 7.11497 29.09856 -0.008872 -0.001889 -0.000588
C 1.04732 6.84208 28.76198 -0.008702 0.004467 0.00126
C 3.22771 10.54745 29.93945 -0.003781 0.005774 0.000208
C 8.1419 7.9837 27.77421 0.005666 0.005955 0.002734
C 0.79406 7.96793 29.61602 -0.005224 0.002794 -0.001112
C 4.42227 6.9141 25.64518 -0.011779 -0.017205 0.003355
C 5.23683 7.98374 25.50411 0.005592 0.018713 -0.003334
C 0.79408 10.79618 29.61608 -0.006114 -0.003656 -0.000938
C 3.51306 6.84215 24.51768 0.007592 -0.020115 -0.000885
C 5.91329 8.59817 26.65624 0.004134 -0.003664 0.004983
C 1.87052 10.10511 30.19902 -0.018272 0.003563 -0.00057
C 8.52254 8.69326 28.99424 0.001311 -0.000224 -0.00174
C 0.40797 6.2552 26.32684 -0.008725 -0.004813 0.00106
C 1.86014 6.04606 26.11615 0.008992 0.006896 0.002168
C 4.51186 7.12287 28.13273 -0.004665 -0.004418 0.002507
C 3.45065 11.64914 29.09859 -0.008421 0.001609 -0.000469
C 4.15252 6.25509 26.95225 0.005515 -0.002261 -0.003114
C 2.33712 6.42629 28.50978 0.001445 0.003596 -0.000787
C 2.70034 6.04596 27.16287 -0.007446 0.000245 -0.000835
C 2.33715 12.3378 28.50987 0.001011 -0.002787 -0.001438
C 0.49962 9.3822 23.50355 -0.017246 -0.004236 0.000161
C 5.29371 8.22356 27.97503 0.009084 0.004547 -0.003444
C 4.45797 4.00152 28.13286 0.00472 0.004963 0.000122
C 3.67619 2.90078 27.97503 -0.009575 -0.004636 -0.000221
C 7.63727 2.90785 23.34196 -0.028037 -0.016768 -0.001352
C 3.91562 1.74228 28.78124 0.002246 -0.001503 0.002946
C 6.28008 2.46551 23.08772 0.027525 -0.047855 -0.000288
C 3.05658 2.52614 26.6564 -0.002905 0.007213 -0.002585
C 4.11367 1.05356 24.28428 -0.017572 -0.013336 0.001304
C 4.5477 4.21022 25.64554 0.010005 0.01554 -0.003741
C 7.86016 4.0095 24.18078 -0.000864 0.022676 0.002008
C 5.45682 4.28237 24.51787 -0.017128 0.013957 0.002457
C 7.63723 0.57703 23.34167 -0.008235 0.002484 -0.001394
C 3.73307 3.14063 25.50417 -0.003633 -0.017358 0.003459
C 5.20362 3.15658 23.66474 -0.03246 0.007659 -0.000245
C 0.01325 4.21027 27.6339 -0.002015 0.002619 -0.003381
C 0.82793 3.14066 27.77431 -0.00572 -0.004905 -0.000284
C 5.20361 0.32823 23.66414 -0.038768 -0.011868 -7.2e-05
C 7.92253 4.28226 28.76206 0.007033 -0.004012 0.000928
C 1.50442 2.52619 26.62199 0.001476 0.002891 -0.000682
C 6.28006 1.01937 23.08729 0.017724 0.061845 -0.000352
C 4.11371 2.43114 24.28446 -0.026326 0.017175 -0.000641
C 4.81734 4.86929 26.95229 -0.0095 0.004828 0.002366
C 6.2695 5.07848 27.16289 0.008512 -0.004295 0.001182
C 0.1029 4.00154 25.14654 0.005969 0.009279 -0.003609
C 7.86012 14.75497 24.18068 0.003138 -0.014936 0.001525
C 8.5619 4.86925 26.32693 0.008539 0.004358 0.001766
C 6.74662 4.69811 24.76945 0.004322 0.013891 -0.002628
C 7.10972 5.07839 26.11627 -0.006385 -0.004441 0.000115
C 6.74661 14.06629 24.76941 -0.009236 -0.017753 -0.001658
C 4.90918 1.74226 29.7755 -0.001418 -0.001426 -0.000713
C 0.8848 2.90084 25.30352 0.012725 0.000422 0.002359
168
energy=-1515.04470783 config_type=nep2xyz pbc="T T T" virial="-38.31015325515298 0.03839143545091049 0.021066932268243327 0.03839143545091049 -43.58205844330961 0.012278531381890322 0.021066932268243327 0.012278531381890322 -4.916248275731873" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98189 -0.015014 -0.003067 0.001292
C 1.47141 0.89094 19.98644 0.00522 0.005074 0.004698
C 2.93782 0.89094 19.9873 -0.008762 0.00313 0.005093
C 3.67602 2.16424 19.98387 0.017741 0.002215 0.002234
C 0.73321 4.71084 19.98723 -0.00476 0.000187 0.005425
C 1.47141 3.43754 19.9873 0.003029 -0.003711 0.005655
C 2.93782 3.43754 19.98807 -0.004825 -0.00756 0.005885
C 3.67602 4.71084 19.98725 0.010523 7.8e-05 0.004903
C 0.73321 7.25743 19.9816 0.008954 0.009614 0.000858
C 1.47141 5.98413 19.98658 -0.005698 0.005223 0.004261
C 2.93782 5.98413 19.98562 0.002731 0.009465 0.003293
C 3.67602 7.25743 19.97711 -0.006291 0.016843 -0.002139
C 0.73321 9.80403 19.97254 0.000482 -0.003743 -0.005768
C 1.47141 8.53073 19.96865 -0.003704 0.001527 -0.007551
C 2.93782 8.53073 19.96383 0.011714 -0.014932 -0.009487
C 3.67602 9.80403 19.96362 0.013643 0.007062 -0.009613
C 0.73321 12.35062 19.98278 0.012235 -0.014826 0.001836
C 1.47141 11.07732 19.97074 -0.002587 0.007011 -0.006232
C 2.93782 11.07732 19.96663 0.014124 0.006875 -0.008182
C 3.67602 12.35062 19.9802 -0.009519 -0.019214 -0.000416
C 0.73321 14.89722 19.9859 -0.008437 -0.002676 0.004319
C 1.47141 13.62392 19.98683 -0.005935 0.002529 0.004608
C 2.93782 13.62392 19.98648 0.002099 -0.005035 0.003985
C 3.67602 14.89722 19.98637 0.014906 0.001867 0.004364
C 5.14244 2.16424 19.97115 -0.003515 -0.001755 -0.005372
C 5.88064 0.89094 19.96825 -0.014792 -0.004446 -0.006464
C 7.34705 0.89094 19.9676 0.006649 0.007988 -0.006947
C 8.08525 2.16424 19.96949 -0.004494 -0.001684 -0.006407
C 5.14244 4.71084 19.98209 0.008033 -0.016089 0.001558
C 5.88064 3.43754 19.97087 -0.010121 0.0037 -0.005119
C 7.34705 3.43754 19.97021 0.002486 -0.007341 -0.00544
C 8.08525 4.71084 19.98207 -0.004256 -0.009901 0.002069
C 5.14244 7.25743 19.98494 -0.007386 -0.010573 0.002656
C 5.88064 5.98413 19.98666 -0.012058 0.006781 0.004466
C 7.34705 5.98413 19.98732 0.002517 -0.004429 0.005559
C 8.08525 7.25743 19.98763 0.006119 0.00201 0.005635
C 5.14244 9.80403 19.98 -0.025986 -0.00144 -0.001269
C 5.88064 8.53073 19.98639 0.000655 0.001694 0.003336
C 7.34705 8.53073 19.98812 -0.001567 0.005693 0.005606
C 8.08525 9.80403 19.98441 0.0121 0.001989 0.002634
C 5.14244 12.35062 19.98658 -0.002834 0.005697 0.003682
C 5.88064 11.07732 19.98725 -0.000534 -0.001235 0.004181
C 7.34705 11.07732 19.98855 -0.000903 -0.009602 0.006103
C 8.08525 12.35062 19.98804 0.001574 0.002537 0.006062
C 5.14244 14.89722 19.98003 0.005602 0.012186 0.000415
C 5.88064 13.62392 19.98635 -0.011685 0.003593 0.004041
C 7.34705 13.62392 19.98655 0.003127 0.003963 0.004677
C 8.08525 14.89722 19.97976 0.002102 0.010302 0.000403
C 4.74945 11.87887 28.13271 -0.005267 0.004572 0.001628
C 5.53123 10.77813 27.97492 0.008406 -0.003912 -0.001875
C 1.57015 10.78519 23.34243 0.018814 -0.016567 -0.000502
C 5.2918 9.61963 28.78115 -0.002819 -0.00105 0.003294
C 2.92734 10.34286 23.08795 -0.033274 -0.052871 -0.000336
C 6.15084 10.40348 26.6562 0.001978 0.007059 0.001115
C 5.09375 8.93091 24.28432 0.02307 -0.010497 0.001122
C 4.65972 12.08756 25.64521 -0.01341 0.020498 0.002574
C 1.34726 11.88685 24.18102 -0.000233 0.02314 -0.000768
C 3.7506 12.15971 24.51779 0.012139 0.01692 -0.001051
C 1.57019 8.45437 23.34268 0.012977 0.010281 -0.000526
C 5.47434 11.01798 25.50396 0.005291 -0.023055 -0.001231
C 4.0038 11.03392 23.66415 0.046844 0.017686 0.000289
C 0.37571 12.08761 27.6339 0.001966 0.003528 -0.000931
C 8.37948 11.01801 27.77437 0.004278 -0.004745 -0.000544
C 4.00381 8.20558 23.66403 0.046372 -0.014727 0.000396
C 1.28489 12.1596 28.76209 -0.008536 -0.003915 -8.2e-05
C 7.703 10.40354 26.62211 -0.0032 0.002509 -0.000239
C 2.92736 8.89671 23.08805 -0.030738 0.052534 -0.000332
C 5.09371 10.30849 24.28431 0.026348 0.012784 0.000576
C 4.39007 12.74664 26.95223 0.008406 0.004043 -0.001824
C 2.93791 12.95583 27.16292 -0.008509 -0.003126 -0.002607
C 0.28606 11.87888 25.14666 -0.010531 0.007543 -0.000401
C 1.3473 7.35274 24.18111 -0.003136 -0.019563 -0.000438
C 0.64552 12.7466 26.32702 -0.008529 0.004778 -0.001547
C 2.4608 12.57545 24.76947 0.002191 0.019534 -0.000745
C 2.0977 12.95574 26.11622 0.010555 -0.004807 0.002495
C 2.46081 6.66407 24.76954 0.010939 -0.020963 -0.000167
C 4.29823 9.6196 29.77542 0.002231 4e-06 -0.000802
C 8.32261 10.77818 25.30378 -0.010871 0.005217 -0.000163
C 0.34047 15.00029 25.14618 -0.005324 -0.018866 -0.005569
C 1.12242 0.82135 25.30317 0.018244 0.014316 0.004942
C 5.97973 0.81441 29.93939 0.004264 -0.005503 -9e-06
C 0.88296 1.97991 24.49671 0.010341 -0.003233 -0.008519
C 7.33694 1.25677 30.19892 0.017427 -0.00525 -0.000896
C 1.74198 1.19596 26.62192 0.000962 -0.000998 -0.004646
C 0.68484 2.66861 28.99423 -0.000107 -0.000201 -0.001219
C 0.2508 14.79151 27.63371 -0.004213 -0.002729 -0.004634
C 5.75679 14.99232 29.09851 0.010941 -0.002269 -0.000689
C 8.1601 14.71942 28.76191 0.00914 0.003199 0.00066
C 5.97971 3.14522 29.93947 0.00512 0.005315 0.000111
C 1.06552 0.58147 27.77416 -0.004775 0.005729 0.001793
C 8.41336 0.5657 29.61592 0.006138 0.004044 -0.001009
C 4.78515 14.79144 25.64518 0.010552 -0.012013 -0.001336
C 3.97059 0.58151 25.50389 -0.003556 0.016133 -0.000171
C 8.41334 3.39395 29.61606 0.008316 -0.00534 -0.000879
C 5.69436 14.71949 24.51755 -0.006767 -0.012872 0.001236
C 3.29413 1.19595 26.65615 -0.002567 -0.004119 0.001704
C 7.3369 2.70288 30.19898 0.017817 0.003478 -0.000713
C 0.68488 1.29103 28.99416 -0.000654 0.000175 -0.001603
C 8.79945 14.13254 26.32671 0.009719 -0.004289 0.003396
C 7.34728 13.92341 26.11612 -0.008505 0.006075 -0.000271
C 4.69556 15.00022 28.1327 0.005258 -0.005317 0.000902
C 5.75677 4.24692 29.09864 0.009997 0.002315 -0.000633
C 5.05489 14.13244 26.95211 -0.007291 -0.003601 0.0003
C 6.87029 14.30363 28.50976 -0.000473 0.003155 -0.001156
C 6.50708 13.9233 27.16277 0.006871 0.002004 0.000279
C 6.87027 4.93558 28.50994 0.000849 -0.002265 -0.001433
C 8.7078 1.97998 23.50284 0.019091 -0.001194 0.00187
C 3.91371 0.82133 27.97492 -0.008224 0.003174 -0.002159
C 0.28605 7.3605 25.14661 -0.006767 -0.012811 -0.001256
C 8.32256 8.46113 25.30366 -0.012536 0.001101 0.001405
C 3.46524 8.45419 29.93943 -0.004636 -0.006096 0.000168
C 8.56201 9.6197 24.49709 -0.015475 -0.002243 -0.001947
C 2.10804 8.89656 30.19907 -0.01689 -0.003514 -0.00042
C 7.70299 8.83574 26.62214 -0.002632 -0.001546 -0.004529
C 8.76014 10.3084 28.99427 0.000983 -0.000154 -0.000592
C 0.37572 7.15172 27.63392 0.002128 -0.003804 -0.003802
C 3.68819 7.35253 29.09855 -0.008551 -0.001848 -0.000424
C 1.28488 7.07964 28.76206 -0.009306 0.004753 0.001181
C 3.46527 10.78501 29.93942 -0.004544 0.006393 6.5e-05
C 8.37946 8.22126 27.77433 0.004656 0.005122 0.003016
C 1.03162 8.20549 29.61606 -0.006 0.002748 -0.000888
C 4.65983 7.15166 25.64507 -0.014324 -0.018936 0.003928
C 5.47439 8.2213 25.50392 0.007034 0.022721 -0.003095
C 1.03164 11.03374 29.61607 -0.005178 -0.003753 -0.000881
C 3.75062 7.07971 24.51771 0.0076 -0.02127 -0.001458
C 6.15085 8.83574 26.65613 0.001957 -0.003883 0.004145
C 2.10808 10.34267 30.19905 -0.017637 0.003523 -0.000485
C 8.7601 8.93082 28.9943 0.001194 -0.000393 -0.001639
C 0.64553 6.49276 26.32698 -0.009762 -0.004996 0.000962
C 2.0977 6.28362 26.11622 0.008954 0.006552 0.000113
C 4.74942 7.36043 28.13268 -0.004701 -0.004112 0.002117
C 3.68821 11.8867 29.09856 -0.008462 0.001341 -0.000574
C 4.39009 6.49265 26.95219 0.006333 -0.002623 -0.002912
C 2.57469 6.66385 28.50981 0.001718 0.003778 -0.00062
C 2.9379 6.28352 27.16288 -0.006412 0.001134 0.00045
C 2.57471 12.57536 28.5098 0.000467 -0.003833 0.00037
C 0.73718 9.61977 23.50434 -0.009162 -0.002508 -0.000311
C 5.53127 8.46112 27.97492 0.006996 0.004382 -0.002793
C 4.69553 4.23908 28.13281 0.004862 0.003931 0.000892
C 3.91375 3.13834 27.97495 -0.008271 -0.00368 -0.001686
C 7.87483 3.14541 23.34209 -0.022796 -0.014172 -0.00172
C 4.15318 1.97984 28.78116 0.002008 -0.000816 0.002836
C 6.51764 2.70307 23.08684 0.023902 -0.047344 -0.000394
C 3.29414 2.7637 26.65622 -0.002363 0.006876 0.000628
C 4.35123 1.29112 24.28393 -0.015898 -0.022671 0.000228
C 4.78526 4.44778 25.64546 0.008363 0.013806 -0.001634
C 8.09772 4.24706 24.18081 0.002021 0.013689 0.002719
C 5.69438 4.51993 24.51785 -0.010881 0.01267 0.001492
C 7.87479 0.81459 23.34167 -0.011194 0.007427 -0.001813
C 3.97063 3.37819 25.50404 -0.002407 -0.015531 0.000613
C 5.44118 3.39414 23.66443 -0.033794 0.004636 -0.000363
C 0.25081 4.44783 27.63388 -0.002917 0.003032 -0.003537
C 1.06549 3.37822 27.77426 -0.006095 -0.004712 0.000832
C 5.44117 0.56579 23.66403 -0.039663 -0.010237 -0.000393
C 8.16009 4.51982 28.76206 0.00797 -0.003673 0.000427
C 1.74198 2.76375 26.62198 0.000588 0.001911 -0.003295
C 6.51762 1.25693 23.08642 0.018918 0.056081 -0.000449
C 4.35127 2.66871 24.28404 -0.021352 0.025602 4.6e-05
C 5.0549 5.10686 26.95229 -0.008813 0.00447 0.00046
C 6.50707 5.31604 27.16294 0.007641 -0.004612 0.002239
C 0.34046 4.2391 25.14649 0.001655 0.014472 -0.005018
C 8.09768 14.99253 24.18064 0.003816 -0.01276 0.002674
C 8.79946 5.10681 26.32693 0.009377 0.004845 0.00265
C 6.98418 4.93567 24.76957 -0.004487 0.013889 -0.002124
C 7.34728 5.31595 26.11636 -0.006777 -0.004152 -0.00185
C 6.98417 14.30385 24.76943 -0.00863 -0.016192 -0.00269
C 5.14675 1.97982 29.77542 -0.001717 -0.001152 -0.000954
C 1.12236 3.1384 25.30337 0.014845 -0.006314 0.004482
168
energy=-1515.04634617 config_type=nep2xyz pbc="T T T" virial="-38.268566037561584 -0.01610505999747943 0.040409824171221236 -0.01610505999747943 -43.574237187018404 0.0038265286155891075 0.040409824171221236 0.0038265286155891075 -4.969693527055101" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.98026 -0.018793 0.002196 0.000574
C 1.47141 0.89094 19.98629 0.004174 0.000269 0.004223
C 2.93782 0.89094 19.98838 -0.007345 0.007968 0.005534
C 3.67602 2.16424 19.98543 0.010529 0.000139 0.003229
C 0.73321 4.71084 19.98587 -0.005775 0.001106 0.003743
C 1.47141 3.43754 19.98594 0.005155 -0.001766 0.003972
C 2.93782 3.43754 19.98814 -0.009187 -0.006515 0.00528
C 3.67602 4.71084 19.98764 0.012802 -0.003337 0.004801
C 0.73321 7.25743 19.98293 0.014811 0.012839 0.001414
C 1.47141 5.98413 19.98698 -0.007675 0.000106 0.003801
C 2.93782 5.98413 19.98658 0.001013 0.009834 0.003416
C 3.67602 7.25743 19.97886 -0.009397 0.018346 -0.000961
C 0.73321 9.80403 19.9731 -0.005105 0.002139 -0.004629
C 1.47141 8.53073 19.97033 -0.001936 -0.008103 -0.005622
C 2.93782 8.53073 19.96444 0.011006 -0.013162 -0.007642
C 3.67602 9.80403 19.96132 0.014134 -0.001509 -0.008792
C 0.73321 12.35062 19.98264 0.013652 -0.010952 0.00135
C 1.47141 11.07732 19.96973 -0.002813 0.003248 -0.005793
C 2.93782 11.07732 19.96359 0.00996 0.014426 -0.008014
C 3.67602 12.35062 19.97789 -0.007353 -0.019021 -0.001304
C 0.73321 14.89722 19.98642 -0.004933 0.000249 0.004112
C 1.47141 13.62392 19.98697 -0.007501 -0.001016 0.003841
C 2.93782 13.62392 19.9863 0.001369 -0.008084 0.003325
C 3.67602 14.89722 19.98785 0.011931 0.001594 0.005036
C 5.14244 2.16424 19.97421 0.003052 0.002325 -0.002793
C 5.88064 0.89094 19.9717 -0.008365 -0.004844 -0.003443
C 7.34705 0.89094 19.96876 0.003285 0.008439 -0.004545
C 8.08525 2.16424 19.96725 0.000461 0.001406 -0.005269
C 5.14244 4.71084 19.98229 0.007649 -0.013217 0.001957
C 5.88064 3.43754 19.97091 -0.011245 0.002258 -0.003589
C 7.34705 3.43754 19.9679 0.005222 -0.009051 -0.004917
C 8.08525 4.71084 19.98003 0.001047 -0.008931 0.00093
C 5.14244 7.25743 19.98602 -0.00079 -0.009939 0.002711
C 5.88064 5.98413 19.98712 -0.01483 0.0047 0.004106
C 7.34705 5.98413 19.98719 0.00367 -0.004556 0.004561
C 8.08525 7.25743 19.98844 0.000766 -0.000193 0.0051
C 5.14244 9.80403 19.97821 -0.020215 0.001674 -0.001846
C 5.88064 8.53073 19.9865 -0.00286 0.002597 0.002808
C 7.34705 8.53073 19.98873 -0.000668 0.007084 0.004916
C 8.08525 9.80403 19.9849 0.014277 0.000158 0.002399
C 5.14244 12.35062 19.98545 -0.002152 0.011778 0.002497
C 5.88064 11.07732 19.98623 -0.002579 -0.003684 0.002514
C 7.34705 11.07732 19.98861 -0.001236 -0.005761 0.004809
C 8.08525 12.35062 19.98837 0.001428 -0.002262 0.005139
C 5.14244 14.89722 19.98278 0.008713 0.0141 0.002184
C 5.88064 13.62392 19.98715 -0.014963 -0.005783 0.004203
C 7.34705 13.62392 19.98749 0.00335 0.007565 0.004851
C 8.08525 14.89722 19.9809 -0.00135 0.007928 0.001375
C 4.98701 12.11643 28.13278 -0.003962 0.004386 -0.000356
C 5.76879 11.01569 27.97486 0.006062 -0.003165 0.001183
C 1.80771 11.02275 23.34303 0.0172 -0.016955 -0.000626
C 5.52936 9.85719 28.78118 -0.001301 -0.001162 -0.000718
C 3.1649 10.58042 23.08875 -0.034771 -0.056069 -0.000255
C 6.3884 10.64104 26.6562 0.00054 0.006865 -0.001083
C 5.33131 9.16847 24.28433 0.02909 -0.005514 5.5e-05
C 4.89728 12.32512 25.64521 -0.015013 0.021539 -0.000744
C 1.58482 12.12441 24.18123 -0.002658 0.02354 -5.1e-05
C 3.98816 12.39727 24.51781 0.006551 0.02444 0.000586
C 1.80775 8.69194 23.3428 0.017179 0.018912 -0.000582
C 5.7119 11.25554 25.50387 0.008045 -0.023996 0.001558
C 4.24136 11.27148 23.66399 0.048099 0.019534 -4.6e-05
C 0.61327 12.32517 27.63398 0.001911 0.004233 -0.000845
C 8.61704 11.25557 27.77445 0.004857 -0.003483 -0.000716
C 4.24137 8.44314 23.6639 0.048819 -0.022888 3e-06
C 1.52245 12.39716 28.76221 -0.009009 -0.003552 -0.000394
C 7.94056 10.6411 26.62218 -0.002305 0.003347 8.7e-05
C 3.16492 9.13427 23.08863 -0.034894 0.055203 -0.000316
C 5.33127 10.54605 24.28439 0.029103 0.004447 -0.000124
C 4.62763 12.9842 26.95221 0.007702 0.00197 -7.2e-05
C 3.17547 13.19339 27.16295 -0.005319 -0.002897 0.00567
C 0.52362 12.11645 25.14677 -0.011185 0.009353 -0.000763
C 1.58486 7.5903 24.1811 -0.002272 -0.027746 -0.000354
C 0.88308 12.98416 26.32707 -0.009618 0.004282 0.001327
C 2.69836 12.81301 24.76961 0.009974 0.022734 0.00114
C 2.33526 13.1933 26.11643 0.008292 -0.006259 -0.006206
C 2.69837 6.90163 24.76942 0.007401 -0.022767 -0.000208
C 4.53579 9.85716 29.77538 0.00134 -0.000894 0.00052
C 8.56017 11.01575 25.30388 -0.011119 0.005103 -0.000711
C 0.57803 15.23785 25.146 -0.000348 -0.02055 0.001485
C 1.35998 1.05891 25.3031 0.013844 0.01394 -0.0037
C 6.21729 1.05197 29.93936 0.005327 -0.006718 -0.000594
C 1.12052 2.21748 24.49632 0.018416 0.000625 0.002525
C 7.5745 1.49433 30.19884 0.016701 -0.005045 -0.000886
C 1.97954 1.43352 26.62168 -0.000391 -0.001414 0.000559
C 0.9224 2.90617 28.99405 -0.000464 3.4e-05 -0.000916
C 0.48836 15.02907 27.63353 -0.005325 -0.001121 0.001444
C 5.99435 15.22988 29.09844 0.010852 -0.001753 -6e-06
C 8.39766 14.95698 28.76183 0.009306 0.003413 -0.001671
C 6.21727 3.38278 29.93941 0.005604 0.006545 -0.000412
C 1.30308 0.81903 27.77406 -0.004547 0.005677 -0.002118
C 8.65092 0.80326 29.61583 0.006791 0.003387 -0.001125
C 5.02271 15.029 25.64517 0.007633 -0.011285 7.5e-05
C 4.20815 0.81907 25.50387 -0.00117 0.015968 -0.000529
C 8.6509 3.63151 29.61589 0.007456 -0.005594 -0.00088
C 5.93192 14.95705 24.51753 -0.010374 -0.009207 -0.00097
C 3.53169 1.43351 26.65611 -0.00199 -0.004171 -0.000436
C 7.57446 2.94044 30.19888 0.018825 0.004274 -0.000829
C 0.92244 1.52859 28.99402 -0.001329 -0.000242 -0.000782
C 0.21855 14.3701 26.32672 0.009366 -0.004694 -0.004479
C 7.58484 14.16097 26.11592 -0.010235 0.005064 0.008173
C 4.93312 15.23778 28.13267 0.003793 -0.005023 -0.000811
C 5.99433 4.48448 29.09854 0.010404 0.002096 -0.000194
C 5.29245 14.37 26.95205 -0.00745 -0.004979 0.001111
C 7.10785 14.54119 28.50965 -0.000313 0.003591 0.001914
C 6.74464 14.16086 27.16275 0.009635 0.001936 -0.009663
C 7.10783 5.17314 28.50981 0.000183 -0.002176 -0.000854
C 0.1269 2.21754 23.5025 0.012136 0.000978 -0.002362
C 4.15127 1.05889 27.97485 -0.007023 0.004464 0.000632
C 0.52361 7.59806 25.14661 -0.010875 -0.009695 -0.000323
C 8.56012 8.69869 25.30377 -0.01036 -0.004216 -0.000939
C 3.7028 8.69175 29.93937 -0.005622 -0.005997 -2.2e-05
C 8.79958 9.85726 24.49723 -0.021293 0.000482 -0.000117
C 2.3456 9.13412 30.19904 -0.015212 -0.002673 -0.00037
C 7.94055 9.0733 26.62211 -0.001931 -0.002224 0.000247
C 0.17924 10.54596 28.99432 0.00057 -0.00076 -0.000433
C 0.61328 7.38928 27.63383 0.003511 -0.00412 0.000301
C 3.92575 7.59009 29.09847 -0.009649 -0.001318 0.000171
C 1.52244 7.3172 28.76207 -0.009302 0.003597 -0.000872
C 3.70283 11.02257 29.93944 -0.005448 0.006127 0.000111
C 8.61702 8.45882 27.77437 0.003396 0.004272 -0.001206
C 1.26918 8.44305 29.61602 -0.00477 0.001511 -0.000396
C 4.89739 7.38922 25.64502 -0.016932 -0.020109 -0.000869
C 5.71195 8.45886 25.50376 0.008073 0.026082 0.000916
C 1.2692 11.2713 29.61612 -0.005921 -0.003777 -0.000235
C 3.98818 7.31727 24.51763 0.009007 -0.021484 0.00045
C 6.38841 9.0733 26.65615 0.000414 -0.004622 -0.000476
C 2.34564 10.58023 30.19909 -0.016759 0.001621 -0.000373
C 0.1792 9.16838 28.99427 0.001494 0.000659 -0.000376
C 0.88309 6.73032 26.32694 -0.008846 -0.004838 -0.000814
C 2.33526 6.52118 26.11614 0.009325 0.006845 -0.00028
C 4.98698 7.59799 28.13267 -0.003815 -0.004849 -0.000445
C 3.92577 12.12427 29.0986 -0.009032 0.001632 0.000139
C 4.62765 6.73021 26.95204 0.007618 -0.003855 0.000899
C 2.81225 6.90141 28.50971 0.001191 0.003746 2.8e-05
C 3.17546 6.52108 27.16279 -0.007352 0.001324 -0.000317
C 2.81227 12.81292 28.5099 0.000604 -0.002556 -0.001408
C 0.97474 9.85733 23.50474 -0.000859 0.001437 -0.000674
C 5.76883 8.69868 27.97482 0.005591 0.004546 0.001005
C 4.93309 4.47664 28.13274 0.004239 0.004489 -0.000614
C 4.15131 3.3759 27.97487 -0.007611 -0.003193 0.000732
C 8.11239 3.38297 23.34151 -0.014069 -0.007556 -0.000494
C 4.39074 2.2174 28.7812 0.001107 -0.000937 -0.00134
C 6.7552 2.94063 23.08617 0.015996 -0.049705 -0.000527
C 3.5317 3.00126 26.65614 -0.001855 0.006616 -0.000928
C 4.58879 1.52868 24.28382 -0.018848 -0.024244 -7.6e-05
C 5.02282 4.68534 25.64529 0.006117 0.01255 0.000396
C 8.33528 4.48462 24.1806 0.000646 0.006487 -0.002157
C 5.93194 4.75749 24.51764 -0.008139 0.009667 -0.000921
C 8.11235 1.05215 23.34156 -0.016688 0.009288 -0.000241
C 4.2082 3.61575 25.50393 -0.001032 -0.014045 -0.000116
C 5.67874 3.6317 23.66408 -0.034603 0.008232 -0.000207
C 0.48837 4.68539 27.63364 -0.003626 0.001361 -0.000182
C 1.30305 3.61578 27.77411 -0.005693 -0.005093 -0.001589
C 5.67873 0.80335 23.66411 -0.033047 -0.007493 -1e-06
C 8.39765 4.75738 28.76192 0.008721 -0.003074 -0.001129
C 1.97954 3.00131 26.62174 -4e-06 0.002796 0.000215
C 6.75518 1.49449 23.08627 0.017581 0.044609 -0.000558
C 4.58883 2.90627 24.28383 -0.017684 0.023402 -0.000239
C 5.29247 5.34442 26.95218 -0.007726 0.003174 -0.000789
C 6.74463 5.5536 27.16282 0.006503 -0.003755 0.001586
C 0.57802 4.47666 25.14605 -0.002211 0.020119 0.000856
C 8.33524 15.23009 24.18057 0.001145 -0.010287 -0.002598
C 0.21856 5.34438 26.32677 0.010186 0.003952 -0.001424
C 7.22174 5.17323 24.76938 -0.005981 0.017209 0.000767
C 7.58484 5.55351 26.11622 -0.007667 -0.005545 -0.00319
C 7.22173 14.54142 24.76927 -0.005013 -0.016304 -0.001644
C 5.38431 2.21738 29.7754 -0.00169 -0.000726 0.000254
C 1.35993 3.37596 25.30318 0.015681 -0.014132 -0.003374
168
energy=-1515.04754744 config_type=nep2xyz pbc="T T T" virial="-38.2342113795513 -0.11336616645745312 0.03633099696559328 -0.11336616645745312 -43.51452652070922 0.012867228091980954 0.03633099696559328 0.012867228091980954 -4.993577793578779" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
C 0.73321 2.16424 19.97795 -0.019521 0.009069 -0.000793
C 1.47141 0.89094 19.98569 0.00083 -0.005165 0.003965
C 2.93782 0.89094 19.98881 -0.005381 0.012882 0.005922
C 3.67602 2.16424 19.98652 0.005306 -0.003982 0.003926
C 0.73321 4.71084 19.98333 -0.00529 0.006288 0.002055
C 1.47141 3.43754 19.9835 0.007346 -0.002969 0.002304
C 2.93782 3.43754 19.9876 -0.013348 -0.002045 0.005019
C 3.67602 4.71084 19.98792 0.0124 -0.007485 0.005234
C 0.73321 7.25743 19.98422 0.016654 0.017286 0.002094
C 1.47141 5.98413 19.98683 -0.009547 -0.008686 0.003672
C 2.93782 5.98413 19.98744 0.000652 0.01157 0.004103
C 3.67602 7.25743 19.98112 -0.010098 0.015042 0.000185
C 0.73321 9.80403 19.97503 -0.009493 0.006159 -0.003437
C 1.47141 8.53073 19.97329 -0.000216 -0.014719 -0.004103
C 2.93782 8.53073 19.9668 0.007178 -0.006785 -0.006483
C 3.67602 9.80403 19.96097 0.010794 -0.011883 -0.008725
C 0.73321 12.35062 19.98315 0.012787 -0.003239 0.001668
C 1.47141 11.07732 19.97066 0.001371 -0.004274 -0.005322
C 2.93782 11.07732 19.96243 0.001361 0.018056 -0.008203
C 3.67602 12.35062 19.97566 -0.003314 -0.01691 -0.002085
C 0.73321 14.89722 19.98686 -0.000479 0.005983 0.004274
C 1.47141 13.62392 19.98714 -0.0074 -0.00689 0.003934
C 2.93782 13.62392 19.98571 0.002731 -0.007571 0.003305
C 3.67602 14.89722 19.98853 0.007714 -0.003124 0.005626
C 5.14244 2.16424 19.97739 0.007276 0.010487 -0.001405
C 5.88064 0.89094 19.97521 -3.1e-05 -0.010584 -0.001677
C 7.34705 0.89094 19.97035 -4.6e-05 0.009515 -0.003698
C 8.08525 2.16424 19.96529 0.006864 -0.001828 -0.006004
C 5.14244 4.71084 19.98295 0.007079 -0.00955 0.002388
C 5.88064 3.43754 19.97166 -0.010562 -0.002263 -0.003245
C 7.34705 3.43754 19.96578 0.004816 -0.000838 -0.005748
C 8.08525 4.71084 19.97706 0.003782 -0.008821 -0.000603
C 5.14244 7.25743 19.98685 0.004908 -0.005755 0.003202
C 5.88064 5.98413 19.98741 -0.014541 0.001117 0.004257
C 7.34705 5.98413 19.98635 0.005437 -0.003955 0.003876
C 8.08525 7.25743 19.9886 -0.002932 -0.005258 0.005204
C 5.14244 9.80403 19.9761 -0.010233 0.006009 -0.002542
C 5.88064 8.53073 19.98584 -0.004822 0.003719 0.002698
C 7.34705 8.53073 19.98866 -0.00219 0.009564 0.005101
C 8.08525 9.80403 19.98538 0.016491 -0.003532 0.002815
C 5.14244 12.35062 19.9834 -0.003328 0.017603 0.001442
C 5.88064 11.07732 19.98434 -0.005557 -0.010413 0.00137
C 7.34705 11.07732 19.98816 -0.001602 0.000565 0.004464
C 8.08525 12.35062 19.98854 0.001422 -0.00851 0.005257
C 5.14244 14.89722 19.98469 0.011143 0.017183 0.00345
C 5.88064 13.62392 19.98714 -0.01538 -0.014544 0.004495
C 7.34705 13.62392 19.9881 0.001981 0.011284 0.005325
C 8.08525 14.89722 19.98231 -0.005294 0.005498 0.002087
C 5.22457 12.35399 28.13281 -0.003945 0.004033 -7.2e-05
C 6.00635 11.25325 27.97488 0.007399 -0.003014 0.000917
C 2.04527 11.26031 23.34329 0.019826 -0.016971 -0.000658
C 5.76692 10.09475 28.78115 -0.000457 -0.001922 -0.000608
C 3.40246 10.81798 23.08948 -0.033715 -0.0532 -0.00023
C 6.62596 10.8786 26.65623 0.001742 0.007283 -0.000456
C 5.56887 9.40603 24.28439 0.032852 0.000309 -4.8e-05
C 5.13484 12.56269 25.64529 -0.014301 0.022254 0.000204
C 1.82238 12.36197 24.18129 -0.003317 0.024491 -8e-06
C 4.22572 12.63483 24.5179 0.005322 0.029859 0.000231
C 2.04531 8.9295 23.34227 0.016136 0.021037 -0.000563
C 5.94946 11.4931 25.50399 0.008788 -0.022725 0.000793
C 4.47892 11.50904 23.66417 0.04033 0.015986 -4e-05
C 0.85083 12.56273 27.63396 0.001948 0.003686 -0.001133
C 0.03614 11.49313 27.77438 0.004984 -0.003643 -0.000546
C 4.47893 8.6807 23.66378 0.047406 -0.029578 -6.2e-05
C 1.76001 12.63472 28.7622 -0.009156 -0.003942 -0.000328
C 8.17812 10.87866 26.6221 -0.002001 0.002972 -0.00032
C 3.40248 9.37184 23.08873 -0.033158 0.06048 -0.000409
C 5.56883 10.78361 24.28457 0.034356 -0.002715 9e-05
C 4.86519 13.22176 26.95228 0.007709 0.002017 -0.001088
C 3.41303 13.43095 27.16293 -0.006054 -0.0037 0.009107
C 0.76118 12.35401 25.14676 -0.010304 0.012761 -0.000866
C 1.82242 7.82786 24.18088 -0.000614 -0.03192 -0.000456
C 1.12064 13.22172 26.32706 -0.008758 0.004131 0.001844
C 2.93592 13.05057 24.76963 0.011552 0.024208 0.002103
C 2.57282 13.43086 26.11647 0.006997 -0.006284 -0.009596
C 2.93593 7.13919 24.76923 0.001697 -0.02421 -0.000887
C 4.77335 10.09473 29.77534 0.000631 -0.001357 0.000485
C 8.79773 11.25331 25.30377 -0.010744 0.003755 -0.00057
C 0.81559 0.19584 25.14617 0.002816 -0.020344 0.000898
C 1.59754 1.29647 25.30312 0.011712 0.0091 -0.003014
C 6.45485 1.28953 29.93941 0.004585 -0.006599 -0.000492
C 1.35808 2.45504 24.49627 0.02228 0.001671 0.001438
C 7.81206 1.73189 30.19889 0.018046 -0.004117 -0.0008
C 2.2171 1.67108 26.62167 0.000841 -0.000946 0.000389
C 1.15996 3.14373 28.99389 -0.001054 0.000557 -0.001146
C 0.72592 15.26663 27.63358 -0.004078 -0.001286 0.001224
C 6.23191 0.18787 29.09851 0.010001 -0.002458 6.1e-05
C 8.63522 15.19454 28.76185 0.009626 0.004706 -0.001573
C 6.45483 3.62034 29.93927 0.005146 0.008211 -0.000669
C 1.54064 1.05659 27.77406 -0.004737 0.00581 -0.002101
C 0.07002 1.04082 29.61585 0.007605 0.004447 -0.000937
C 5.26027 15.26656 25.6453 0.006407 -0.011665 0.000116
C 4.44571 1.05663 25.50402 -0.000971 0.014713 -0.00039
C 0.07 3.86907 29.61571 0.005175 -0.004626 -0.001115
C 6.16948 15.19461 24.51765 -0.012325 -0.013098 -0.000724
C 3.76925 1.67107 26.65616 -0.00411 -0.004632 -0.000544
C 7.81202 3.178 30.19879 0.019468 0.005218 -0.000987
C 1.16 1.76615 28.99402 -0.001926 -0.000124 -0.000792
C 0.45611 14.60766 26.32679 0.009274 -0.004506 -0.003747
C 7.8224 14.39853 26.11601 -0.010062 0.004927 0.006697
C 5.17068 0.19577 28.13273 0.00388 -0.005433 -0.000723
C 6.23189 4.72204 29.09836 0.010413 0.002007 -0.000198
C 5.53001 14.60756 26.95215 -0.006409 -0.00484 0.00109
C 7.34541 14.77875 28.50972 -0.000991 0.004253 0.001658
C 6.9822 14.39843 27.16281 0.009372 0.00283 -0.007998
C 7.34539 5.4107 28.50952 -0.000519 -0.003715 0.000127
C 0.36446 2.4551 23.5026 0.005115 -0.00031 -0.002036
C 4.38883 1.29645 27.97488 -0.007813 0.00419 0.000721
C 0.76117 7.83562 25.14639 -0.008519 -0.00965 -0.000419
C 8.79768 8.93626 25.30365 -0.011975 -0.00296 -0.000956
C 3.94037 8.92931 29.9393 -0.00458 -0.005868 -0.000163
C 0.21867 10.09482 24.49714 -0.025709 -2.1e-05 -0.000285
C 2.58316 9.37168 30.19897 -0.016426 -0.003039 -0.000454
C 8.17812 9.31086 26.62204 -0.002731 -0.002668 0.0002
C 0.4168 10.78352 28.99427 0.000606 -0.001198 -0.000539
C 0.85084 7.62684 27.63371 0.003335 -0.003816 0.000204
C 4.16331 7.82765 29.09841 -0.010777 -0.001546 0.000202
C 1.76 7.55476 28.76197 -0.009922 0.003215 -0.000872
C 3.94039 11.26013 29.93943 -0.005288 0.005194 0.000204
C 0.03612 8.69638 27.77429 0.003583 0.004045 -0.001251
C 1.50674 8.68061 29.61592 -0.004408 0.002223 -0.000534
C 5.13495 7.62678 25.64496 -0.017811 -0.019935 -0.000986
C 5.94951 8.69642 25.50378 0.007644 0.025132 0.000934
C 1.50676 11.50886 29.61609 -0.00736 -0.003755 -0.000274
C 4.22574 7.55483 24.51747 0.010015 -0.018527 0.000399
C 6.62597 9.31086 26.65614 0.001378 -0.005378 -0.000656
C 2.5832 10.81779 30.19907 -0.01648 0.000509 -0.000411
C 0.41676 9.40594 28.99419 0.001237 0.001282 -0.000392
C 1.12065 6.96788 26.32677 -0.007446 -0.002534 -0.001146
C 2.57282 6.75874 26.11598 0.011611 0.00731 0.00154
C 5.22454 7.83555 28.13261 -0.004377 -0.005714 -0.000569
C 4.16333 12.36183 29.09861 -0.009674 0.001897 0.000106
C 4.86521 6.96778 26.95197 0.007545 -0.003747 0.000889
C 3.04981 7.13897 28.5096 0.000928 0.005154 0.000171
C 3.41302 6.75864 27.1627 -0.008783 0.001247 -0.002098
C 3.04983 13.05048 28.5099 0.000249 -0.002641 -0.002124
C 1.2123 10.09489 23.50458 0.005071 0.002833 -0.000698
C 6.00639 8.93624 27.9748 0.006981 0.003642 0.000964
C 5.17065 4.7142 28.13258 0.005074 0.004599 -0.000955
C 4.38887 3.61346 27.97481 -0.009282 -0.004523 0.000648
C 8.34995 3.62053 23.34089 -0.006705 -0.007062 -0.00066
C 4.6283 2.45496 28.78118 0.000641 0.000442 -0.001413
C 6.99276 3.17819 23.08627 0.012506 -0.055288 -0.000653
C 3.76926 3.23882 26.6561 -0.003464 0.007066 -0.000837
C 4.82635 1.76624 24.28413 -0.02593 -0.015558 -5.4e-05
C 5.26038 4.9229 25.64513 0.007576 0.013561 -0.000605
C 8.57284 4.72218 24.1803 4.5e-05 0.009832 -0.002097
C 6.1695 4.99505 24.51732 -0.010305 0.008793 -0.000614
C 8.34991 1.28971 23.34191 -0.022037 0.011137 -0.000403
C 4.44576 3.85331 25.50389 -0.001279 -0.014734 -0.000119
C 5.9163 3.86926 23.66382 -0.036947 0.016588 -0.000337
C 0.72593 4.92295 27.63344 -0.00399 0.001407 -0.000356
C 1.54062 3.85335 27.77393 -0.005209 -0.005453 -0.001504
C 5.91629 1.04091 23.6644 -0.025324 -0.004461 2e-06
C 8.63521 4.99494 28.76172 0.009253 -0.004129 -0.001374
C 2.2171 3.23887 26.62159 0.001192 0.003389 -0.000365
C 6.99274 1.73205 23.08721 0.019215 0.036282 -0.000519
C 4.82639 3.14383 24.28394 -0.019347 0.01477 -0.000257
C 5.53003 5.58198 26.95201 -0.006548 0.003743 0.000352
C 6.98219 5.79116 27.16261 0.009886 -0.003061 -0.004034
C 0.81558 4.71422 25.14575 -0.004248 0.020882 0.000321
C 8.5728 0.18808 24.18071 0.000937 -0.013499 -0.001952
C 0.45612 5.58194 26.32652 0.008364 0.003024 -0.00236
C 7.4593 5.41079 24.76905 -0.001689 0.019814 -0.000955
C 7.8224 5.79107 26.11584 -0.011202 -0.00627 0.002244
C 7.45929 14.77898 24.7693 -0.003132 -0.017998 -0.001462
C 5.62187 2.45494 29.77537 -0.001304 0.000452 0.000259
C 1.59749 3.61352 25.30296 0.017696 -0.015752 -0.002839