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=-1515.044799 config_type=nep2xyz pbc="T T T" virial="-38.27941487693325 0.024094515348709433 0.0030275830804661072 0.024094515348709433 -43.48576448144479 0.006181315455951635 0.0030275830804661072 0.006181315455951635 -4.951485978807298" 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 19.97416 -0.002943 0.007134 -0.00348
C 1.47141 0.89094 19.98272 -0.004178 0.012558 0.000831
C 2.93782 0.89094 19.98306 -0.00161 -0.000662 0.001614
C 3.67602 2.16424 19.97543 0.005321 0.014181 -0.002791
C 0.73321 4.71084 19.97162 -0.005667 -0.003723 -0.00514
C 1.47141 3.43754 19.96333 -0.012513 -0.005233 -0.008551
C 2.93782 3.43754 19.96398 0.011351 0.002105 -0.008369
C 3.67602 4.71084 19.97264 -0.000146 -0.013509 -0.004544
C 0.73321 7.25743 19.98546 0.005179 -0.012323 0.00306
C 1.47141 5.98413 19.97781 -0.000845 -0.004017 -0.001971
C 2.93782 5.98413 19.97814 -0.005434 0.004747 -0.001363
C 3.67602 7.25743 19.98662 -0.009593 -0.012621 0.005267
C 0.73321 9.80403 19.98106 -0.016782 -0.005868 0.000243
C 1.47141 8.53073 19.98689 -0.010422 0.010651 0.004676
C 2.93782 8.53073 19.98842 0.00401 0.001494 0.006639
C 3.67602 9.80403 19.98609 0.009419 0.002351 0.004499
C 0.73321 12.35062 19.98007 -0.021086 0.000436 -0.000673
C 1.47141 11.07732 19.98423 0.001671 -0.00105 0.001593
C 2.93782 11.07732 19.98697 -0.002389 0.000182 0.004383
C 3.67602 12.35062 19.9851 0.007947 0.001196 0.003649
C 0.73321 14.89722 19.98711 0.001384 0.0031 0.003922
C 1.47141 13.62392 19.98753 -0.006941 -0.005552 0.004873
C 2.93782 13.62392 19.98897 0.003172 -0.006555 0.006836
C 3.67602 14.89722 19.98832 -0.005465 0.008281 0.006259
C 5.14244 2.16424 19.9833 -0.007193 -0.000407 0.002181
C 5.88064 0.89094 19.98755 -0.006577 0.008032 0.005449
C 7.34705 0.89094 19.98733 0.006087 0.003576 0.004654
C 8.08525 2.16424 19.98319 0.019104 0.000345 0.001496
C 5.14244 4.71084 19.98232 -0.005632 -0.003438 0.001472
C 5.88064 3.43754 19.98474 0.005307 0.001246 0.002531
C 7.34705 3.43754 19.98489 -0.010909 -0.001661 0.002363
C 8.08525 4.71084 19.98259 0.018939 0.002044 0.000965
C 5.14244 7.25743 19.98825 0.004426 0.005816 0.006176
C 5.88064 5.98413 19.98806 -0.004209 -0.006261 0.005909
C 7.34705 5.98413 19.98804 0.00492 -0.005933 0.005223
C 8.08525 7.25743 19.98702 0.000955 0.003611 0.004109
C 5.14244 9.80403 19.97868 0.002222 0.01071 -0.000825
C 5.88064 8.53073 19.98384 -9.5e-05 0.002831 0.002184
C 7.34705 8.53073 19.98148 0.004686 0.015347 0.000339
C 8.08525 9.80403 19.97085 0.003839 -0.000188 -0.004947
C 5.14244 12.35062 19.9759 0.002615 -0.013307 -0.002778
C 5.88064 11.07732 19.96682 -0.003971 0.003486 -0.007262
C 7.34705 11.07732 19.96075 -0.00374 -0.008842 -0.009801
C 8.08525 12.35062 19.9674 0.008087 0.012211 -0.007036
C 5.14244 14.89722 19.98659 0.010266 -0.014814 0.004977
C 5.88064 13.62392 19.9789 0.004029 0.008717 -0.000971
C 7.34705 13.62392 19.9758 0.006604 -0.007862 -0.002921
C 8.08525 14.89722 19.98512 -0.006206 -0.013536 0.002653
C 0.24742 13.61749 28.13294 -0.004946 0.005611 5e-05
C 1.0292 12.51675 27.97522 0.010141 -0.005591 -0.000239
C 5.88658 12.52382 23.34061 0.020377 -0.006856 -0.000233
C 0.78977 11.35825 28.78144 -0.00244 0.000171 0.003209
C 7.24377 12.08148 23.08859 -0.01869 -0.044755 -0.00033
C 1.64881 12.14211 26.65665 0.004791 0.004307 -0.002828
C 0.59172 10.66953 24.28528 0.023281 0.008957 0.000284
C 0.15769 13.82619 25.64569 -0.007044 0.014146 -0.00527
C 5.66369 13.62547 24.18049 0.009547 0.027692 -0.002378
C 8.06703 13.89834 24.5177 0.025339 0.012719 0.002483
C 5.88662 10.193 23.34083 0.011552 -0.003033 -0.000148
C 0.97232 12.7566 25.50461 0.002838 -0.016299 0.004358
C 8.32023 12.77254 23.66514 0.022913 0.013468 -0.000108
C 4.69214 13.82623 27.63368 0.00267 0.001652 -0.003327
C 3.87746 12.75663 27.77408 0.007064 -0.006434 -0.000828
C 8.32024 9.9442 23.6649 0.024237 -0.009261 0.000176
C 5.60132 13.89822 28.7619 -0.008605 -0.004196 0.000887
C 3.20097 12.14216 26.62175 -0.000322 0.001339 0.001979
C 7.24379 10.63534 23.08863 -0.014032 0.051052 -0.000273
C 0.59168 12.04711 24.28531 0.027176 -0.005776 -0.000754
C 8.70651 14.48526 26.95229 0.008723 0.005864 0.003257
C 7.25435 14.69445 27.16273 -0.009895 -0.004222 0.003767
C 4.60249 13.61751 25.14609 -0.002545 0.008481 0.001932
C 5.66374 9.09137 24.18054 0.005707 -0.019852 -0.00239
C 4.96195 14.48522 26.32668 -0.008214 0.004183 -0.000358
C 6.77723 14.31407 24.76912 -0.020469 0.016228 0.00012
C 6.41413 14.69436 26.11611 0.009258 -0.006245 -0.003743
C 6.77725 8.40269 24.76915 -0.008183 -0.018401 -0.000226
C 8.61467 11.35823 29.77564 0.001403 0.000293 -0.000874
C 3.82059 12.51681 25.30327 -0.01366 -0.002689 -0.005606
C 4.6569 1.45934 25.14584 -0.005761 -0.014916 -0.003575
C 5.43886 2.55997 25.3029 0.021452 0.014066 0.002441
C 1.47771 2.55303 29.93942 0.006566 -0.005466 0.000307
C 5.1994 3.71854 24.49616 0.009905 -0.004399 -0.004084
C 2.83491 2.99539 30.19886 0.019533 -0.003872 -0.000755
C 6.05842 2.93458 26.62175 -0.000193 -0.001351 -0.005461
C 5.00127 4.40723 28.99402 -0.001896 -0.001828 -0.001054
C 4.56723 1.25056 27.63355 -0.003007 -0.003328 -0.006084
C 1.25476 1.45137 29.09855 0.012427 -0.002655 -0.000892
C 3.65807 1.17847 28.76176 0.009332 0.0045 0.00157
C 1.47768 4.88384 29.93953 0.0054 0.004615 0.000443
C 5.38195 2.32009 27.7739 -0.008297 0.00647 0.003424
C 3.91133 2.30432 29.61578 0.005955 0.005805 -0.001151
C 0.28312 1.25049 25.64533 0.009748 -0.01562 0.000992
C 8.28702 2.32013 25.50444 -0.00631 0.015878 -0.001184
C 3.91131 5.13257 29.6159 0.007421 -0.005112 -0.00098
C 1.19233 1.17854 24.51758 -0.014952 -0.025702 0.000703
C 7.61056 2.93457 26.65647 -0.004199 -0.004608 0.003962
C 2.83487 4.4415 30.19892 0.019743 0.004119 -0.0007
C 5.00131 3.02965 28.99399 -0.000908 0.001878 -0.00213
C 4.29742 0.59159 26.32647 0.00963 -0.004925 0.003258
C 2.84525 0.38246 26.11593 -0.009868 0.007652 -0.001487
C 0.19353 1.45927 28.1328 0.005003 -0.004664 0.002627
C 1.25474 5.98554 29.09872 0.01121 0.003342 -0.000555
C 0.55287 0.59149 26.95226 -0.007044 -0.003125 -0.002431
C 2.36827 0.76268 28.50962 -0.001576 0.003332 -0.001946
C 2.00505 0.38235 27.16261 0.00964 0.002936 0.002805
C 2.36824 6.6742 28.50987 -0.000885 -0.002811 -0.002116
C 4.20577 3.7186 23.50257 0.022784 -0.001515 0.00019
C 8.23014 2.55995 27.9752 -0.0102 0.005129 -0.003385
C 4.60248 9.09912 25.14592 0.00153 -0.013535 0.001602
C 3.82053 10.19976 25.30312 -0.016323 0.009835 -0.004093
C 7.78168 10.19281 29.93947 -0.006632 -0.005628 0.000248
C 4.05999 11.35832 24.49602 -0.011508 -0.003775 0.005449
C 6.42448 10.63518 30.19889 -0.019292 -0.003639 -0.000724
C 3.20097 10.57437 26.62179 -0.000311 -0.001207 -0.002715
C 4.25811 12.04702 28.99403 0.002004 -0.001474 -0.000953
C 4.69215 8.89034 27.63361 0.002925 -0.003046 -0.004847
C 8.00462 9.09115 29.09859 -0.012864 -0.002715 -0.000319
C 5.60131 8.81826 28.76181 -0.008895 0.004143 0.001606
C 7.7817 12.52363 29.9395 -0.005718 0.005448 0.000304
C 3.87743 9.95988 27.77399 0.008441 0.006309 0.002475
C 5.34805 9.94411 29.61584 -0.006579 0.00592 -0.001218
C 0.1578 8.89028 25.64544 -0.008448 -0.015334 -0.001357
C 0.97236 9.95992 25.50457 0.004861 0.015769 0.000716
C 5.34808 12.77236 29.61589 -0.006551 -0.004911 -0.001105
C 8.06705 8.81833 24.51756 0.017658 -0.021194 0.00098
C 1.64882 10.57436 26.65659 0.004484 -0.004356 0.001811
C 6.42451 12.08129 30.19891 -0.019983 0.004747 -0.00084
C 4.25807 10.66944 28.99406 0.001013 0.001534 -0.001997
C 4.96196 8.23138 26.32659 -0.009149 -0.005023 6.5e-05
C 6.41413 8.02224 26.11597 0.00996 0.007349 -0.002215
C 0.24739 9.09905 28.13287 -0.004668 -0.004965 0.001279
C 8.00464 13.62533 29.09866 -0.011952 0.003343 -0.000334
C 8.70652 8.23128 26.95228 0.007078 -0.00358 4.3e-05
C 6.89112 8.40247 28.50967 0.00118 0.003623 -0.002399
C 7.25434 8.02214 27.16263 -0.009464 0.003177 0.003319
C 6.89114 14.31399 28.50977 0.000606 -0.00383 -0.002224
C 5.05361 11.35839 23.50299 -0.014908 -0.002414 -0.003607
C 1.02924 10.19974 27.97525 0.010037 0.004982 -0.001852
C 0.1935 5.9777 28.13298 0.004698 0.005341 0.001208
C 8.23018 4.87696 27.97521 -0.010025 -0.005374 -0.001318
C 3.3728 4.88403 23.34144 -0.031588 -0.015304 -0.001286
C 8.46961 3.71846 28.78137 0.003033 -0.000421 0.004438
C 2.01561 4.4417 23.0895 0.022374 -0.056146 -0.000163
C 7.61057 4.50232 26.65659 -0.004796 0.004455 -0.001749
C 8.66767 3.02974 24.28504 -0.02475 0.006255 0.000828
C 0.28323 6.1864 25.64577 0.007062 0.013977 -0.004495
C 3.59569 5.98568 24.18062 -0.001104 0.033729 0.001953
C 1.19235 6.25855 24.51795 -0.022122 0.022955 0.003342
C 3.37276 2.55321 23.34099 -0.015679 0.005308 -0.00124
C 8.28707 5.11681 25.50458 -0.004737 -0.015834 0.003768
C 0.93915 5.13276 23.6653 -0.018135 0.009044 -0.000289
C 4.56724 6.18645 27.63373 -0.002436 0.001937 -0.004606
C 5.38193 5.11685 27.77405 -0.007109 -0.006466 0.000226
C 0.93914 2.30441 23.66474 -0.025709 -0.013578 -1e-06
C 3.65806 6.25844 28.76194 0.008938 -0.004995 0.001208
C 6.05841 4.50237 26.62176 -0.000275 0.000886 -0.000839
C 2.01559 2.99555 23.089 0.015117 0.071385 -0.000229
C 8.6677 4.40733 24.28521 -0.031402 -0.004351 -0.000378
C 0.55288 6.84548 26.9524 -0.008821 0.005291 0.001858
C 2.00504 7.05466 27.16285 0.009729 -0.004568 0.00331
C 4.6569 5.97772 25.14626 0.001534 0.00999 -0.003445
C 3.59565 1.45158 24.18042 0.001348 -0.026342 0.001289
C 4.29743 6.84544 26.32672 0.009327 0.004937 0.0029
C 2.48215 6.67429 24.76937 0.011387 0.012905 -0.002515
C 2.84525 7.05457 26.11622 -0.008047 -0.005031 -0.001813
C 2.48214 0.76291 24.7692 0.002921 -0.016378 -0.001966
C 0.64472 3.71844 29.7756 -0.001688 0.000113 -0.001215
C 5.4388 4.87702 25.30314 0.016803 -0.004676 0.001182
168
energy=-1515.04553912 config_type=nep2xyz pbc="T T T" virial="-38.25855819349004 0.05382369920828635 0.005424419685835108 0.05382369920828635 -43.47773297632855 0.00588696710090632 0.005424419685835108 0.00588696710090632 -4.971081169300316" 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 19.97645 -0.001481 0.010196 -0.002138
C 1.47141 0.89094 19.98358 -0.004891 0.009127 0.001413
C 2.93782 0.89094 19.98266 -0.000709 3.6e-05 0.001393
C 3.67602 2.16424 19.97352 0.007776 0.011799 -0.003695
C 0.73321 4.71084 19.97434 -0.002354 -0.011113 -0.003941
C 1.47141 3.43754 19.9654 -0.017488 -0.002778 -0.007636
C 2.93782 3.43754 19.96292 0.010569 0.000172 -0.008739
C 3.67602 4.71084 19.97061 0.002399 -0.009186 -0.005697
C 0.73321 7.25743 19.9858 0.006234 -0.012823 0.003614
C 1.47141 5.98413 19.97905 0.001614 0.000616 -0.001199
C 2.93782 5.98413 19.97771 -0.005203 0.000434 -0.001464
C 3.67602 7.25743 19.98653 -0.008879 -0.0107 0.00518
C 0.73321 9.80403 19.98009 -0.013926 -0.009532 -0.000201
C 1.47141 8.53073 19.98665 -0.012681 0.014239 0.004752
C 2.93782 8.53073 19.98865 0.002995 -0.0014 0.006868
C 3.67602 9.80403 19.987 0.009993 0.004225 0.00513
C 0.73321 12.35062 19.97883 -0.018337 -0.000323 -0.001233
C 1.47141 11.07732 19.98373 -0.002753 0.000647 0.001225
C 2.93782 11.07732 19.98754 -0.001423 -0.001089 0.004799
C 3.67602 12.35062 19.98598 0.009639 0.002641 0.004408
C 0.73321 14.89722 19.98728 0.004044 0.003408 0.004131
C 1.47141 13.62392 19.98717 -0.007997 -0.006226 0.004631
C 2.93782 13.62392 19.98914 0.001911 -0.006568 0.007017
C 3.67602 14.89722 19.98823 -0.005687 0.009201 0.00612
C 5.14244 2.16424 19.98146 -0.005669 -0.002862 0.000805
C 5.88064 0.89094 19.98695 -0.008682 0.011197 0.004753
C 7.34705 0.89094 19.98756 0.005012 0.000721 0.004804
C 8.08525 2.16424 19.98436 0.017851 0.002717 0.00244
C 5.14244 4.71084 19.98039 -0.005316 -0.005329 0.000102
C 5.88064 3.43754 19.98312 0.007606 0.001746 0.001413
C 7.34705 3.43754 19.98513 -0.014574 -0.001778 0.002744
C 8.08525 4.71084 19.98388 0.014978 0.003168 0.001901
C 5.14244 7.25743 19.98809 0.004557 0.003326 0.005914
C 5.88064 5.98413 19.98734 -0.00518 -0.005323 0.005232
C 7.34705 5.98413 19.98823 0.003993 -0.007448 0.005577
C 8.08525 7.25743 19.98714 0.000772 0.005296 0.004436
C 5.14244 9.80403 19.98003 0.004096 0.005123 -5.8e-05
C 5.88064 8.53073 19.98426 -0.001638 0.005915 0.002579
C 7.34705 8.53073 19.98122 0.005577 0.014252 0.000415
C 8.08525 9.80403 19.96997 0.002876 -0.001186 -0.005393
C 5.14244 12.35062 19.97724 0.001433 -0.009746 -0.002008
C 5.88064 11.07732 19.96859 0.003273 0.004262 -0.006579
C 7.34705 11.07732 19.96038 -0.010876 -0.010072 -0.009939
C 8.08525 12.35062 19.96619 0.007117 0.017078 -0.007402
C 5.14244 14.89722 19.98654 0.010682 -0.015246 0.004697
C 5.88064 13.62392 19.97937 0.002959 0.008935 -0.000751
C 7.34705 13.62392 19.97528 0.008036 -0.008021 -0.003023
C 8.08525 14.89722 19.98517 -0.007225 -0.013562 0.002744
C 0.46788 13.61749 28.13287 -0.005157 0.005429 0.000125
C 1.24967 12.51675 27.97517 0.010066 -0.005635 -0.000487
C 6.10705 12.52382 23.34045 0.014319 -0.005656 -0.000158
C 1.01024 11.35825 28.7814 -0.002386 0.000409 0.002909
C 7.46423 12.08148 23.08809 -0.016975 -0.040195 -0.000399
C 1.86927 12.14211 26.65657 0.004349 0.004464 -0.001946
C 0.81218 10.66953 24.28521 0.024427 0.00938 3.6e-05
C 0.37815 13.82619 25.64555 -0.00714 0.014623 -0.003694
C 5.88415 13.62547 24.18045 0.011088 0.02438 -0.003048
C 8.28749 13.89834 24.51756 0.023916 0.008698 0.001412
C 6.10708 10.193 23.34099 0.0106 -0.002603 -0.000101
C 1.19278 12.7566 25.50451 0.001847 -0.01705 0.003123
C 8.5407 12.77254 23.66486 0.026466 0.016888 -6.4e-05
C 4.9126 13.82623 27.63366 0.002951 0.001526 -0.002706
C 4.09792 12.75663 27.77409 0.006845 -0.006331 -0.000919
C 8.5407 9.9442 23.6648 0.024535 -0.008559 4.2e-05
C 5.82178 13.89822 28.76188 -0.008603 -0.003765 0.000452
C 3.42143 12.14216 26.62177 -0.000512 0.001745 0.001643
C 7.46425 10.63534 23.08841 -0.014804 0.041274 -0.000325
C 0.81214 12.04711 24.28517 0.026448 -0.005968 -0.000565
C 0.10851 14.48526 26.95222 0.008427 0.005627 0.002229
C 7.47481 14.69445 27.16268 -0.00951 -0.003984 0.004122
C 4.82295 13.61751 25.14605 -0.002241 0.009545 0.002252
C 5.8842 9.09137 24.18062 0.007066 -0.017452 -0.002622
C 5.18241 14.48522 26.32666 -0.00782 0.003725 -0.000969
C 6.9977 14.31407 24.76903 -0.020853 0.01875 0.000967
C 6.63459 14.69436 26.11606 0.00975 -0.006946 -0.004796
C 6.99771 8.40269 24.76915 -0.008227 -0.020006 0.000281
C 0.01667 11.35823 29.7756 0.001374 0.000435 -0.000904
C 4.04105 12.51681 25.30329 -0.013104 -0.002741 -0.005808
C 4.87737 1.45934 25.14587 -0.005609 -0.015559 -0.005112
C 5.65932 2.55997 25.3029 0.022129 0.01433 0.004335
C 1.69817 2.55303 29.93937 0.006412 -0.00524 0.000316
C 5.41986 3.71854 24.49634 0.013693 -0.004245 -0.007171
C 3.05537 2.99539 30.19886 0.019244 -0.003681 -0.000774
C 6.27888 2.93458 26.62175 -0.000191 -0.00172 -0.005546
C 5.22173 4.40723 28.99404 -0.001789 -0.001906 -0.001093
C 4.78769 1.25056 27.63354 -0.003011 -0.003344 -0.005662
C 1.47523 1.45137 29.0985 0.011895 -0.002526 -0.001264
C 3.87854 1.17847 28.76176 0.009403 0.00446 0.001115
C 1.69814 4.88384 29.93951 0.005187 0.004128 0.000488
C 5.60241 2.32009 27.77391 -0.007674 0.006312 0.002966
C 4.1318 2.30432 29.61577 0.005605 0.005601 -0.001044
C 0.50359 1.25049 25.6452 0.010792 -0.016284 0.002082
C 8.50748 2.32013 25.50427 -0.00695 0.017076 -0.001749
C 4.13177 5.13257 29.61592 0.007625 -0.004972 -0.000873
C 1.41279 1.17854 24.51755 -0.012379 -0.027159 0.000208
C 7.83102 2.93457 26.65635 -0.003429 -0.005164 0.00386
C 3.05533 4.4415 30.19894 0.019264 0.003594 -0.000662
C 5.22177 3.02965 28.99399 -0.000925 0.00202 -0.001954
C 4.51788 0.59159 26.32646 0.00969 -0.004727 0.003942
C 3.06571 0.38246 26.11592 -0.009505 0.007963 -0.002773
C 0.41399 1.45927 28.13272 0.005131 -0.004455 0.002826
C 1.4752 5.98554 29.09871 0.010556 0.003268 -0.000791
C 0.77333 0.59149 26.9522 -0.00693 -0.002851 -0.003261
C 2.58873 0.76268 28.50959 -0.001765 0.003318 -0.001765
C 2.22551 0.38235 27.16258 0.008863 0.003019 0.003657
C 2.5887 6.6742 28.50989 -0.001085 -0.002671 -0.001647
C 4.42623 3.7186 23.50265 0.019082 -0.000717 0.001425
C 8.45061 2.55995 27.9751 -0.009669 0.005238 -0.00338
C 4.82294 9.09912 25.14602 -0.000556 -0.013768 0.001909
C 4.04099 10.19976 25.30321 -0.014347 0.007722 -0.004483
C 8.00214 10.19281 29.93946 -0.006512 -0.005486 0.000202
C 4.28045 11.35832 24.49611 -0.014793 -0.003096 0.005765
C 6.64494 10.63518 30.1989 -0.018961 -0.00328 -0.000693
C 3.42143 10.57437 26.62182 -0.000493 -0.001308 -0.001878
C 4.47857 12.04702 28.99403 0.001955 -0.001251 -0.001031
C 4.91261 8.89034 27.63364 0.002955 -0.002919 -0.004129
C 8.22508 9.09115 29.09858 -0.012684 -0.002648 -0.000213
C 5.82177 8.81826 28.76184 -0.00869 0.00385 0.001288
C 8.00217 12.52363 29.93946 -0.005712 0.00563 0.000218
C 4.09789 9.95988 27.77405 0.008093 0.006066 0.001653
C 5.56851 9.94411 29.61587 -0.006876 0.005936 -0.001177
C 0.37826 8.89028 25.64542 -0.007983 -0.015223 -0.001887
C 1.19282 9.95992 25.50451 0.004013 0.016231 0.001275
C 5.56854 12.77236 29.61588 -0.006111 -0.004738 -0.001096
C 8.28751 8.81833 24.51752 0.017046 -0.019215 0.001083
C 1.86928 10.57436 26.65657 0.004168 -0.004543 0.000815
C 6.64497 12.08129 30.1989 -0.019852 0.004837 -0.00087
C 4.47854 10.66944 28.99409 0.001093 0.001431 -0.001758
C 5.18242 8.23138 26.32665 -0.009069 -0.005069 -0.000261
C 6.63459 8.02224 26.116 0.009689 0.007229 -0.003347
C 0.46785 9.09905 28.13286 -0.00457 -0.005015 0.000805
C 8.2251 13.62533 29.09861 -0.011855 0.003281 -0.000525
C 0.10852 8.23128 26.95225 0.007014 -0.003687 0.000617
C 7.11158 8.40247 28.50968 0.001047 0.003732 -0.002434
C 7.4748 8.02214 27.16262 -0.008775 0.003444 0.004035
C 7.1116 14.31399 28.50971 0.00056 -0.004259 -0.002044
C 5.27407 11.35839 23.50323 -0.007142 -0.002359 -0.003762
C 1.2497 10.19974 27.97521 0.00966 0.004939 -0.001379
C 0.41396 5.9777 28.13294 0.004614 0.00493 0.00179
C 8.45064 4.87696 27.97514 -0.009702 -0.005267 -0.001928
C 3.59326 4.88403 23.34201 -0.034131 -0.020202 -0.001626
C 8.69007 3.71846 28.78128 0.003154 -0.000735 0.004399
C 2.23607 4.4417 23.08984 0.024896 -0.059496 -0.000131
C 7.83104 4.50232 26.65647 -0.004276 0.004697 -0.000143
C 0.06967 3.02974 24.28481 -0.027279 0.00577 0.000924
C 0.5037 6.1864 25.64569 0.007538 0.01485 -0.002218
C 3.81616 5.98568 24.18074 0.003234 0.035037 0.003139
C 1.41282 6.25855 24.51801 -0.018135 0.027457 0.0025
C 3.59322 2.55321 23.34128 -0.017281 0.011892 -0.00163
C 8.50753 5.11681 25.50448 -0.00543 -0.016759 0.002033
C 1.15961 5.13276 23.66515 -0.018822 0.009407 -0.000194
C 4.7877 6.18645 27.63377 -0.00236 0.001964 -0.004431
C 5.60239 5.11685 27.77407 -0.006711 -0.006335 0.000699
C 1.15961 2.30441 23.66449 -0.028699 -0.017667 1.8e-05
C 3.87852 6.25844 28.76198 0.009142 -0.005156 0.000967
C 6.27887 4.50237 26.6218 -0.000385 0.000991 -0.002198
C 2.23605 2.99555 23.08914 0.01796 0.07758 -0.000235
C 0.0697 4.40733 24.28503 -0.034452 -0.004711 3.2e-05
C 0.77334 6.84548 26.9524 -0.008589 0.004629 0.00018
C 2.2255 7.05466 27.1629 0.008972 -0.004577 0.003429
C 4.87736 5.97772 25.14637 0.002099 0.011661 -0.004992
C 3.81611 1.45158 24.18044 0.004676 -0.029126 0.002365
C 4.5179 6.84544 26.32677 0.009716 0.005094 0.003595
C 2.70261 6.67429 24.76948 0.004732 0.013608 -0.002459
C 3.06572 7.05457 26.11628 -0.007523 -0.004867 -0.002053
C 2.7026 0.76291 24.7692 -0.000702 -0.01718 -0.001806
C 0.86518 3.71844 29.77554 -0.001709 -2.2e-05 -0.001159
C 5.65926 4.87702 25.30315 0.017313 -0.005208 0.003517
168
energy=-1515.04649153 config_type=nep2xyz pbc="T T T" virial="-38.23568312132652 0.08498257507808336 0.008452002766301215 0.08498257507808336 -43.47512589089815 0.004961872270763898 0.008452002766301215 0.004961872270763898 -4.992526549453617" 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 19.9789 0.00074 0.011289 -0.000766
C 1.47141 0.89094 19.98453 -0.005574 0.00537 0.002022
C 2.93782 0.89094 19.98227 0.001143 0.002719 0.00116
C 3.67602 2.16424 19.97151 0.00793 0.007419 -0.00449
C 0.73321 4.71084 19.97707 0.001451 -0.015774 -0.002274
C 1.47141 3.43754 19.96771 -0.017942 -0.000132 -0.00608
C 2.93782 3.43754 19.96196 0.006676 -0.00318 -0.008851
C 3.67602 4.71084 19.96832 0.004419 -0.001768 -0.006213
C 0.73321 7.25743 19.98621 0.007944 -0.014259 0.003922
C 1.47141 5.98413 19.98026 0.002969 0.006076 -0.000413
C 2.93782 5.98413 19.97718 -0.003952 -0.004847 -0.001562
C 3.67602 7.25743 19.98644 -0.007375 -0.008922 0.004767
C 0.73321 9.80403 19.97913 -0.010715 -0.012459 -0.000445
C 1.47141 8.53073 19.98642 -0.01393 0.01739 0.004596
C 2.93782 8.53073 19.98886 0.00139 -0.003242 0.00671
C 3.67602 9.80403 19.98773 0.009831 0.006814 0.005622
C 0.73321 12.35062 19.97751 -0.013368 -0.000928 -0.001526
C 1.47141 11.07732 19.98303 -0.006483 0.002977 0.00087
C 2.93782 11.07732 19.98786 -0.0011 -0.00296 0.004996
C 3.67602 12.35062 19.98667 0.011694 0.003341 0.00475
C 0.73321 14.89722 19.98752 0.006976 0.003379 0.004322
C 1.47141 13.62392 19.98671 -0.008931 -0.007077 0.004336
C 2.93782 13.62392 19.98922 -0.000375 -0.006983 0.006796
C 3.67602 14.89722 19.98815 -0.004845 0.00999 0.005656
C 5.14244 2.16424 19.97944 -0.003966 -0.005888 -0.000553
C 5.88064 0.89094 19.98632 -0.010983 0.014173 0.003853
C 7.34705 0.89094 19.98785 0.00435 -0.001295 0.004858
C 8.08525 2.16424 19.98556 0.015039 0.004785 0.003261
C 5.14244 4.71084 19.9782 -0.005349 -0.006023 -0.001289
C 5.88064 3.43754 19.98127 0.01035 0.002161 0.000113
C 7.34705 3.43754 19.98533 -0.017294 -0.002643 0.002839
C 8.08525 4.71084 19.98515 0.010749 0.004447 0.002761
C 5.14244 7.25743 19.98795 0.004942 -0.000136 0.005447
C 5.88064 5.98413 19.98653 -0.00697 -0.003847 0.004333
C 7.34705 5.98413 19.98846 0.00312 -0.009144 0.005705
C 8.08525 7.25743 19.98739 0.000508 0.007318 0.004668
C 5.14244 9.80403 19.98133 0.004088 -0.000971 0.00085
C 5.88064 8.53073 19.98478 -0.002704 0.008828 0.002794
C 7.34705 8.53073 19.98119 0.006187 0.012226 0.000665
C 8.08525 9.80403 19.96951 0.001819 -8.4e-05 -0.005147
C 5.14244 12.35062 19.97852 -0.001128 -0.005531 -0.001062
C 5.88064 11.07732 19.97049 0.010995 0.005127 -0.005431
C 7.34705 11.07732 19.96049 -0.015618 -0.010777 -0.00919
C 8.08525 12.35062 19.96548 0.005146 0.018485 -0.007144
C 5.14244 14.89722 19.98655 0.010782 -0.015387 0.00424
C 5.88064 13.62392 19.97998 0.002204 0.008605 -0.000323
C 7.34705 13.62392 19.9751 0.007539 -0.00781 -0.002633
C 8.08525 14.89722 19.98538 -0.007602 -0.012774 0.002914
C 0.68834 13.61749 28.13279 -0.005067 0.004949 0.000619
C 1.47013 12.51675 27.97508 0.00982 -0.006015 -0.000656
C 6.32751 12.52382 23.34046 0.009519 -0.007061 -0.001095
C 1.2307 11.35825 28.78137 -0.001285 0.000532 0.000166
C 7.68469 12.08148 23.08758 -0.015116 -0.03853 -0.000512
C 2.08973 12.14211 26.65641 0.004005 0.004506 0.001942
C 1.03264 10.66953 24.28501 0.02622 0.007846 8.5e-05
C 0.59861 13.82619 25.64534 -0.006958 0.015631 0.00211
C 6.10461 13.62547 24.18038 0.009633 0.022 -0.000268
C 8.50795 13.89834 24.51746 0.020516 0.005912 -0.000942
C 6.32754 10.193 23.34124 0.011186 0.000902 -0.000906
C 1.41324 12.7566 25.5044 0.000404 -0.01777 -0.001763
C 8.76116 12.77254 23.66451 0.02959 0.019669 -0.000127
C 5.13307 13.82623 27.63362 0.003608 0.001265 -0.002277
C 4.31838 12.75663 27.77405 0.007012 -0.006131 0.00025
C 8.76116 9.9442 23.66466 0.024647 -0.008067 -8e-06
C 6.04224 13.89822 28.76187 -0.008915 -0.003334 -0.000494
C 3.6419 12.14216 26.62181 -0.000446 0.001888 -0.002913
C 7.68472 10.63534 23.08816 -0.015317 0.03463 -0.000396
C 1.0326 12.04711 24.28491 0.026206 -0.004478 0.000547
C 0.32897 14.48526 26.95219 0.008157 0.005157 -0.002256
C 7.69527 14.69445 27.16265 -0.00955 -0.003609 0.00273
C 5.04341 13.61751 25.14604 0.000107 0.011811 -0.002145
C 6.10466 9.09137 24.18065 0.005832 -0.016434 -0.00015
C 5.40287 14.48522 26.3266 -0.007726 0.003405 0.001086
C 7.21816 14.31407 24.769 -0.018023 0.020307 -9.4e-05
C 6.85505 14.69436 26.11599 0.010527 -0.007299 -0.003715
C 7.21817 8.40269 24.76917 -0.006405 -0.020816 -0.000385
C 0.23713 11.35823 29.77553 0.000705 0.000497 0.00016
C 4.26151 12.51681 25.30318 -0.015054 -0.003748 0.00046
C 5.09783 1.45934 25.14584 -0.001296 -0.01613 0.001769
C 5.87978 2.55997 25.30311 0.018259 0.013301 -0.004327
C 1.91863 2.55303 29.93933 0.006357 -0.005534 -0.000177
C 5.64032 3.71854 24.49642 0.023857 -0.003777 0.002706
C 3.27583 2.99539 30.19886 0.018573 -0.003393 -0.000758
C 6.49934 2.93458 26.62168 -0.000136 -0.002719 0.003127
C 5.44219 4.40723 28.99406 -0.001869 -0.001837 -0.000619
C 5.00816 1.25056 27.63346 -0.003272 -0.00138 0.002114
C 1.69569 1.45137 29.09843 0.012036 -0.00167 0.000418
C 4.099 1.17847 28.76181 0.009942 0.003621 -0.001912
C 1.9186 4.88384 29.93948 0.005081 0.004233 1e-06
C 5.82287 2.32009 27.77403 -0.005478 0.005782 -0.004043
C 4.35226 2.30432 29.61576 0.005306 0.005453 -0.000704
C 0.72405 1.25049 25.6451 0.012352 -0.016163 -0.001319
C 8.72794 2.32013 25.50402 -0.008411 0.018814 0.002617
C 4.35223 5.13257 29.61594 0.007709 -0.004842 -0.000571
C 1.63326 1.17854 24.51748 -0.010307 -0.027529 0.0003
C 8.05148 2.93457 26.65631 -0.002175 -0.006081 -0.003135
C 3.2758 4.4415 30.19895 0.018435 0.003012 -0.000578
C 5.44223 3.02965 28.99398 -0.001582 0.002366 -0.000108
C 4.73834 0.59159 26.32656 0.009258 -0.004456 -0.002799
C 3.28618 0.38246 26.11597 -0.008412 0.008582 -0.007521
C 0.63445 1.45927 28.1327 0.004151 -0.004692 -0.00133
C 1.69567 5.98554 29.09867 0.01044 0.002569 0.000456
C 0.99379 0.59149 26.95206 -0.006923 -0.002782 0.00057
C 2.80919 0.76268 28.50955 -0.001891 0.003351 -0.002117
C 2.44597 0.38235 27.16253 0.006854 0.00328 0.006603
C 2.80916 6.6742 28.50989 -0.001068 -0.00289 -0.000895
C 4.64669 3.7186 23.50304 0.00862 0.000197 -0.002113
C 8.67107 2.55995 27.97491 -0.007321 0.005804 0.002509
C 5.0434 9.09912 25.14614 -0.001012 -0.015075 -0.00132
C 4.26145 10.19976 25.3032 -0.014002 0.006269 -0.000586
C 8.2226 10.19281 29.93944 -0.006409 -0.005458 -3.1e-05
C 4.50091 11.35832 24.4963 -0.015735 -0.002412 -0.002352
C 6.8654 10.63518 30.1989 -0.018619 -0.002989 -0.00073
C 3.64189 10.57437 26.6218 -0.000253 -0.001606 0.000592
C 4.69904 12.04702 28.99402 0.001708 -0.000978 -0.001491
C 5.13307 8.89034 27.6336 0.00368 -0.001679 0.000249
C 8.44554 9.09115 29.09856 -0.012395 -0.002565 -0.000281
C 6.04223 8.81826 28.76189 -0.00907 0.002994 -0.001323
C 8.22263 12.52363 29.93941 -0.005645 0.005909 -0.000151
C 4.31835 9.95988 27.77412 0.006852 0.005362 -0.002431
C 5.78897 9.94411 29.61587 -0.007108 0.006219 -0.000779
C 0.59872 8.89028 25.64534 -0.007213 -0.015408 0.000845
C 1.41329 9.95992 25.50441 0.002956 0.016735 0.00028
C 5.789 12.77236 29.61584 -0.005832 -0.004774 -0.000946
C 8.50797 8.81833 24.51753 0.015178 -0.017495 -0.000217
C 2.08975 10.57436 26.6565 0.003905 -0.004896 -0.000845
C 6.86543 12.08129 30.19888 -0.019634 0.004901 -0.000848
C 4.699 10.66944 28.99408 0.001527 0.001599 -0.00049
C 5.40289 8.23138 26.32669 -0.008953 -0.005157 -0.00073
C 6.85506 8.02224 26.11599 0.010471 0.006685 -0.000663
C 0.68832 9.09905 28.13283 -0.00415 -0.004777 0.000333
C 8.44556 13.62533 29.09855 -0.011698 0.003005 -0.000472
C 0.32898 8.23128 26.95224 0.007019 -0.003789 -0.00062
C 7.33204 8.40247 28.50965 0.000552 0.004493 -2.9e-05
C 7.69526 8.02214 27.16267 -0.009095 0.00335 -5.4e-05
C 7.33206 14.31399 28.50964 0.000415 -0.004685 -0.001108
C 5.49454 11.35839 23.50328 -0.002149 -0.002029 -0.000484
C 1.47016 10.19974 27.97513 0.008853 0.005286 0.000385
C 0.63442 5.9777 28.13292 0.0037 0.004529 -0.000264
C 8.6711 4.87696 27.97501 -0.008318 -0.00553 0.001147
C 3.81372 4.88403 23.34254 -0.033679 -0.02244 -0.000179
C 0.09207 3.71846 28.78127 0.000769 -0.001166 -0.001563
C 2.45654 4.4417 23.09006 0.028045 -0.059786 -0.00011
C 8.0515 4.50232 26.65635 -0.003438 0.004894 0.001092
C 0.29013 3.02974 24.28461 -0.029698 0.006469 -0.000469
C 0.72416 6.1864 25.64555 0.008254 0.016572 0.001515
C 4.03662 5.98568 24.18096 0.004866 0.0327 -0.00187
C 1.63328 6.25855 24.51806 -0.013674 0.029908 -0.000564
C 3.81368 2.55321 23.34161 -0.017777 0.016962 -0.000423
C 8.72799 5.11681 25.50435 -0.005856 -0.018846 -0.000627
C 1.38007 5.13276 23.66489 -0.022039 0.011416 0.000368
C 5.00816 6.18645 27.63374 -0.002594 0.000445 0.001227
C 5.82285 5.11685 27.77415 -0.005684 -0.006055 -0.001715
C 1.38007 2.30441 23.66418 -0.033211 -0.022306 2e-06
C 4.09899 6.25844 28.76205 0.009891 -0.004671 -0.001343
C 6.49933 4.50237 26.62181 -0.000317 0.001336 -0.000155
C 2.45651 2.99555 23.0892 0.022215 0.07885 -0.00024
C 0.29016 4.40733 24.28484 -0.03723 -0.005885 0.000697
C 0.9938 6.84548 26.95237 -0.008324 0.003902 -0.000424
C 2.44596 7.05466 27.16293 0.007556 -0.00444 0.003698
C 5.09782 5.97772 25.14639 0.005952 0.013774 0.001386
C 4.03657 1.45158 24.18058 0.005199 -0.029198 -0.00214
C 4.73836 6.84544 26.32691 0.009367 0.005093 -0.001816
C 2.92307 6.67429 24.76951 -0.001442 0.017028 0.001735
C 3.28618 7.05457 26.11636 -0.00708 -0.005075 -0.004177
C 2.92306 0.76291 24.76914 -0.003364 -0.020102 0.001992
C 1.08564 3.71844 29.77543 -0.000258 -0.000216 0.00093
C 5.87972 4.87702 25.30333 0.014331 -0.005384 -0.00306
168
energy=-1515.04723533 config_type=nep2xyz pbc="T T T" virial="-38.22243744534948 0.10882479183675396 0.0007989455351230005 0.10882479183675396 -43.47462129371807 0.006265414985964583 0.0007989455351230005 0.006265414985964583 -5.009766953106271" 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 19.98131 0.002668 0.01007 0.000434
C 1.47141 0.89094 19.98537 -0.00619 0.00178 0.002617
C 2.93782 0.89094 19.98185 0.003676 0.006911 0.000793
C 3.67602 2.16424 19.96968 0.00509 0.002277 -0.005547
C 0.73321 4.71084 19.9797 0.004554 -0.016438 -0.00101
C 1.47141 3.43754 19.97032 -0.013211 0.001893 -0.00504
C 2.93782 3.43754 19.96137 0.000884 -0.007298 -0.009128
C 3.67602 4.71084 19.96619 0.00496 0.006503 -0.007216
C 0.73321 7.25743 19.98654 0.010266 -0.016289 0.004409
C 1.47141 5.98413 19.9814 0.003212 0.011272 0.00032
C 2.93782 5.98413 19.97667 -0.001736 -0.010003 -0.001782
C 3.67602 7.25743 19.9862 -0.005436 -0.008094 0.004382
C 0.73321 9.80403 19.97813 -0.007309 -0.014102 -0.000815
C 1.47141 8.53073 19.98601 -0.014009 0.019481 0.004551
C 2.93782 8.53073 19.98883 -0.000959 -0.003749 0.006704
C 3.67602 9.80403 19.98818 0.009165 0.009573 0.005946
C 0.73321 12.35062 19.97608 -0.006804 -0.001275 -0.001909
C 1.47141 11.07732 19.98198 -0.008809 0.00539 0.000368
C 2.93782 11.07732 19.98779 -0.001176 -0.00481 0.005053
C 3.67602 12.35062 19.98708 0.013356 0.003027 0.005142
C 0.73321 14.89722 19.98761 0.009855 0.002748 0.00463
C 1.47141 13.62392 19.98593 -0.009297 -0.007997 0.004222
C 2.93782 13.62392 19.98901 -0.003599 -0.007588 0.006726
C 3.67602 14.89722 19.98792 -0.003244 0.010476 0.005389
C 5.14244 2.16424 19.97739 -0.00225 -0.009399 -0.002061
C 5.88064 0.89094 19.98559 -0.013228 0.016829 0.003228
C 7.34705 0.89094 19.98806 0.004255 -0.00246 0.005122
C 8.08525 2.16424 19.98665 0.011209 0.006438 0.004006
C 5.14244 4.71084 19.97589 -0.005294 -0.005625 -0.002843
C 5.88064 3.43754 19.97929 0.012561 0.002429 -0.001269
C 7.34705 3.43754 19.9854 -0.018905 -0.003902 0.002939
C 8.08525 4.71084 19.98626 0.006753 0.005108 0.003563
C 5.14244 7.25743 19.98767 0.005629 -0.003898 0.005048
C 5.88064 5.98413 19.98553 -0.009167 -0.002615 0.00356
C 7.34705 5.98413 19.98854 0.002169 -0.010301 0.005809
C 8.08525 7.25743 19.98759 8.8e-05 0.008976 0.005121
C 5.14244 9.80403 19.98258 0.002885 -0.00559 0.00171
C 5.88064 8.53073 19.98529 -0.002682 0.010654 0.003185
C 7.34705 8.53073 19.98135 0.006156 0.010152 0.00103
C 8.08525 9.80403 19.96952 0.000718 0.00304 -0.004994
C 5.14244 12.35062 19.97988 -0.00401 -0.002079 -0.000141
C 5.88064 11.07732 19.97262 0.017028 0.006002 -0.004271
C 7.34705 11.07732 19.96136 -0.016842 -0.010442 -0.008608
C 8.08525 12.35062 19.96535 0.002666 0.016081 -0.007048
C 5.14244 14.89722 19.98651 0.010565 -0.014821 0.004048
C 5.88064 13.62392 19.98078 0.002292 0.008097 0.000189
C 7.34705 13.62392 19.97535 0.005191 -0.007639 -0.002284
C 8.08525 14.89722 19.98562 -0.00712 -0.011195 0.003404
C 0.90881 13.61749 28.13272 -0.00505 0.004773 0.0003
C 1.69059 12.51675 27.97498 0.009252 -0.006048 -0.000315
C 6.54797 12.52382 23.34057 0.006589 -0.008386 -0.001009
C 1.45116 11.35825 28.78129 -0.001373 0.000719 -0.000131
C 7.90516 12.08148 23.08711 -0.01372 -0.039889 -0.000571
C 2.31019 12.14211 26.6563 0.003261 0.004891 0.00101
C 1.2531 10.66953 24.28473 0.027602 0.003804 0.00016
C 0.81907 13.82619 25.64525 -0.006888 0.014513 0.001644
C 6.32507 13.62547 24.18038 0.007375 0.018098 -0.000837
C 8.72841 13.89834 24.51738 0.01679 0.005196 -0.001002
C 6.54801 10.193 23.34152 0.013371 0.004991 -0.000754
C 1.6337 12.7566 25.50421 0.000262 -0.017521 -0.001255
C 0.16316 12.77254 23.66421 0.03209 0.020875 -0.0002
C 5.35353 13.82623 27.63359 0.00385 0.000841 -0.001791
C 4.53884 12.75663 27.77404 0.006435 -0.006299 -0.000308
C 0.16316 9.9442 23.66451 0.024577 -0.007095 -3.3e-05
C 6.26271 13.89822 28.76185 -0.009033 -0.003168 -0.000709
C 3.86236 12.14216 26.62177 -0.000282 0.002265 -0.002084
C 7.90518 10.63534 23.08789 -0.016152 0.031766 -0.000422
C 1.25307 12.04711 24.28459 0.024927 -0.001167 0.000236
C 0.54943 14.48526 26.95212 0.007778 0.004644 -0.002205
C 7.91573 14.69445 27.16263 -0.008744 -0.003428 0.002949
C 5.26387 13.61751 25.14597 0.001547 0.015038 -0.001351
C 6.32512 9.09137 24.18071 0.00426 -0.014524 -0.000771
C 5.62333 14.48522 26.32659 -0.007901 0.003261 0.000398
C 7.43862 14.31407 24.76901 -0.012881 0.021212 0.00026
C 7.07551 14.69436 26.11598 0.010163 -0.007575 -0.004157
C 7.43863 8.40269 24.7692 -0.003284 -0.020963 -0.000135
C 0.45759 11.35823 29.77547 0.000785 0.000542 0.000138
C 4.48197 12.51681 25.30315 -0.015438 -0.007555 -0.000759
C 5.31829 1.45934 25.14598 0.002002 -0.014646 0.001422
C 6.10024 2.55997 25.30327 0.016278 0.009245 -0.004027
C 2.13909 2.55303 29.93928 0.006138 -0.005368 -0.000191
C 5.86078 3.71854 24.49668 0.028172 -0.002955 0.002515
C 3.49629 2.99539 30.19889 0.017971 -0.003056 -0.000757
C 6.7198 2.93458 26.62177 0.000505 -0.003009 0.003129
C 5.66266 4.40723 28.99412 -0.00177 -0.001837 -0.000452
C 5.22862 1.25056 27.63352 -0.00309 -0.001861 0.001716
C 1.91615 1.45137 29.09838 0.011423 -0.001397 0.000384
C 4.31946 1.17847 28.76185 0.009685 0.003411 -0.001741
C 2.13906 4.88384 29.93946 0.004878 0.004004 -7.2e-05
C 6.04334 2.32009 27.7741 -0.004781 0.005474 -0.00375
C 4.57272 2.30432 29.6158 0.004924 0.005124 -0.000624
C 0.94451 1.25049 25.64499 0.014062 -0.017296 -0.002008
C 0.12995 2.32013 25.50384 -0.00868 0.021186 0.00294
C 4.57269 5.13257 29.61598 0.007499 -0.004436 -0.000529
C 1.85372 1.17854 24.51742 -0.008803 -0.026885 0.000627
C 8.27195 2.93457 26.65621 -0.001308 -0.006407 -0.00338
C 3.49626 4.4415 30.19898 0.017768 0.002527 -0.000537
C 5.66269 3.02965 28.99404 -0.001496 0.002303 -0.000103
C 4.95881 0.59159 26.32661 0.009058 -0.004316 -0.00219
C 3.50664 0.38246 26.11598 -0.008393 0.008764 -0.00818
C 0.85491 1.45927 28.13263 0.004217 -0.004613 -0.001401
C 1.91613 5.98554 29.09865 0.009736 0.002213 0.000654
C 1.21425 0.59149 26.95198 -0.006896 -0.002737 0.000841
C 3.02965 0.76268 28.50954 -0.001923 0.003463 -0.002307
C 2.66643 0.38235 27.16251 0.006162 0.003284 0.007245
C 3.02963 6.6742 28.50989 -0.001104 -0.003182 -0.000133
C 4.86716 3.7186 23.50355 0.000431 0.001113 -0.001981
C 0.07307 2.55995 27.97482 -0.006531 0.005832 0.002715
C 5.26386 9.09912 25.14617 -0.002233 -0.016715 -0.000469
C 4.48191 10.19976 25.30323 -0.012821 0.00722 -0.001643
C 8.44306 10.19281 29.93941 -0.006127 -0.005173 -0.000135
C 4.72137 11.35832 24.49635 -0.020673 -0.001341 -0.000887
C 7.08586 10.63518 30.19889 -0.018295 -0.002923 -0.000767
C 3.86235 10.57437 26.62179 -0.00016 -0.001625 0.000928
C 4.9195 12.04702 28.994 0.001632 -0.000859 -0.001409
C 5.35354 8.89034 27.63361 0.003767 -0.001294 0.000787
C 8.666 9.09115 29.09854 -0.011917 -0.002354 -0.000285
C 6.26269 8.81826 28.7619 -0.008933 0.002925 -0.001527
C 8.44309 12.52363 29.93937 -0.005475 0.005805 -0.000285
C 4.53882 9.95988 27.77413 0.006302 0.005407 -0.002803
C 6.00944 9.94411 29.61588 -0.007474 0.006394 -0.000794
C 0.81918 8.89028 25.6453 -0.006477 -0.014463 0.001504
C 1.63375 9.95992 25.50428 0.002016 0.016619 -0.000302
C 6.00946 12.77236 29.61582 -0.005755 -0.004787 -0.00099
C 8.72844 8.81833 24.51754 0.013119 -0.016458 -0.000646
C 2.31021 10.57436 26.65639 0.003338 -0.005122 -0.000536
C 7.0859 12.08129 30.19886 -0.019462 0.005108 -0.000912
C 4.91946 10.66944 28.99409 0.001486 0.001477 -0.000435
C 5.62335 8.23138 26.32673 -0.009109 -0.005251 -0.001427
C 7.07552 8.02224 26.11601 0.009725 0.00627 -0.000763
C 0.90878 9.09905 28.13279 -0.004098 -0.0047 0.000335
C 8.66603 13.62533 29.0985 -0.011316 0.002753 -0.000428
C 0.54944 8.23128 26.95221 0.007064 -0.003839 -0.001357
C 7.5525 8.40247 28.50967 0.000469 0.004201 -0.000161
C 7.91572 8.02214 27.16267 -0.008296 0.003706 0.000134
C 7.55253 14.31399 28.50962 0.000592 -0.004471 -0.001354
C 5.715 11.35839 23.50322 0.002676 -0.001415 -0.00107
C 1.69062 10.19974 27.97505 0.008441 0.005227 0.000289
C 0.85489 5.9777 28.13288 0.003436 0.0043 -0.00087
C 0.0731 4.87696 27.97491 -0.0074 -0.005498 0.001681
C 4.03418 4.88403 23.343 -0.03101 -0.024007 -0.0002
C 0.31253 3.71846 28.78119 0.000777 -0.001153 -0.002044
C 2.677 4.4417 23.09013 0.030968 -0.058031 -0.000157
C 8.27196 4.50232 26.65626 -0.002499 0.00521 0.000234
C 0.51059 3.02974 24.28445 -0.032134 0.006851 -0.000574
C 0.94462 6.1864 25.64546 0.010006 0.017344 -0.000228
C 4.25708 5.98568 24.18112 0.006405 0.031674 -0.001536
C 1.85374 6.25855 24.51801 -0.010214 0.032074 0.000217
C 4.03415 2.55321 23.34193 -0.017365 0.021718 -0.000475
C 0.12999 5.11681 25.50417 -0.006881 -0.020824 0.000384
C 1.60053 5.13276 23.66459 -0.026836 0.013829 0.000275
C 5.22863 6.18645 27.63381 -0.002581 0.000726 0.001275
C 6.04331 5.11685 27.77423 -0.004999 -0.005825 -0.001857
C 1.60053 2.30441 23.6639 -0.038326 -0.026321 -0.000103
C 4.31945 6.25844 28.76211 0.010006 -0.00455 -0.001249
C 6.71979 4.50237 26.62189 9.1e-05 0.001738 0.000132
C 2.67698 2.99555 23.08919 0.026471 0.076077 -0.000277
C 0.51063 4.40733 24.2847 -0.038461 -0.007493 0.000429
C 1.21426 6.84548 26.95231 -0.007731 0.003264 0.001192
C 2.66642 7.05466 27.16299 0.007859 -0.003732 0.000219
C 5.31828 5.97772 25.14654 0.008066 0.014215 0.001237
C 4.25703 1.45158 24.18068 0.005473 -0.030605 -0.001892
C 4.95882 6.84544 26.327 0.009278 0.005108 -0.002177
C 3.14353 6.67429 24.76959 -0.007019 0.018947 0.000563
C 3.50664 7.05457 26.11636 -0.008154 -0.004972 -0.000638
C 3.14352 0.76291 24.76914 -0.004958 -0.021931 0.001948
C 1.3061 3.71844 29.77537 -0.000246 -0.000291 0.001014
C 6.10018 4.87702 25.30348 0.013094 -0.003517 -0.002922
168
energy=-1515.04749221 config_type=nep2xyz pbc="T T T" virial="-38.220334957099155 0.11921108379335296 -0.01337182527205864 0.11921108379335296 -43.49123095089563 0.0068961614610616884 -0.01337182527205864 0.0068961614610616884 -5.0156539202071775" 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 19.98344 0.004224 0.007905 0.001517
C 1.47141 0.89094 19.98605 -0.006406 -0.001377 0.002997
C 2.93782 0.89094 19.98143 0.006465 0.011584 0.000469
C 3.67602 2.16424 19.96814 0.000375 -0.002644 -0.006288
C 0.73321 4.71084 19.98194 0.006121 -0.014332 9.3e-05
C 1.47141 3.43754 19.97287 -0.004707 0.003129 -0.004111
C 2.93782 3.43754 19.96104 -0.005065 -0.011014 -0.009495
C 3.67602 4.71084 19.96438 0.003418 0.013882 -0.008101
C 0.73321 7.25743 19.98676 0.012788 -0.017481 0.004683
C 1.47141 5.98413 19.98233 0.002949 0.015156 0.00085
C 2.93782 5.98413 19.97618 0.000938 -0.013951 -0.002045
C 3.67602 7.25743 19.98591 -0.003833 -0.008439 0.003986
C 0.73321 9.80403 19.97699 -0.004019 -0.0136 -0.001214
C 1.47141 8.53073 19.98546 -0.012969 0.02019 0.004327
C 2.93782 8.53073 19.98867 -0.003714 -0.003163 0.006502
C 3.67602 9.80403 19.98845 0.008003 0.011798 0.006421
C 0.73321 12.35062 19.97449 0.000289 -0.001143 -0.002759
C 1.47141 11.07732 19.9805 -0.009546 0.007308 -0.000391
C 2.93782 11.07732 19.98742 -0.00183 -0.006079 0.004824
C 3.67602 12.35062 19.98734 0.013993 0.001802 0.005408
C 0.73321 14.89722 19.98756 0.012441 0.001684 0.004734
C 1.47141 13.62392 19.98488 -0.008576 -0.00886 0.003621
C 2.93782 13.62392 19.98861 -0.007327 -0.007907 0.006457
C 3.67602 14.89722 19.98763 -0.001704 0.010425 0.004989
C 5.14244 2.16424 19.97548 -0.000696 -0.012484 -0.003404
C 5.88064 0.89094 19.98488 -0.01513 0.018541 0.002694
C 7.34705 0.89094 19.98821 0.004213 -0.003056 0.005397
C 8.08525 2.16424 19.98755 0.007203 0.007888 0.004729
C 5.14244 4.71084 19.97365 -0.004653 -0.003805 -0.004339
C 5.88064 3.43754 19.97738 0.01288 0.002895 -0.002564
C 7.34705 3.43754 19.98538 -0.018923 -0.005052 0.002964
C 8.08525 4.71084 19.98716 0.003862 0.004803 0.004179
C 5.14244 7.25743 19.98736 0.006508 -0.006921 0.004625
C 5.88064 5.98413 19.9845 -0.011286 -0.002279 0.002627
C 7.34705 5.98413 19.98852 0.000971 -0.010277 0.005832
C 8.08525 7.25743 19.98773 -0.000658 0.009635 0.005448
C 5.14244 9.80403 19.98383 0.001147 -0.007283 0.002782
C 5.88064 8.53073 19.98584 -0.001857 0.010583 0.003724
C 7.34705 8.53073 19.98162 0.005636 0.0084 0.001477
C 8.08525 9.80403 19.96978 -0.000137 0.006828 -0.004672
C 5.14244 12.35062 19.98134 -0.006251 -0.000382 0.000888
C 5.88064 11.07732 19.97485 0.020338 0.006586 -0.003023
C 7.34705 11.07732 19.96278 -0.014977 -0.008849 -0.007861
C 8.08525 12.35062 19.96553 -0.000235 0.010587 -0.006773
C 5.14244 14.89722 19.98652 0.010205 -0.013593 0.003908
C 5.88064 13.62392 19.98174 0.003162 0.006913 0.000938
C 7.34705 13.62392 19.97593 0.001675 -0.007716 -0.001748
C 8.08525 14.89722 19.98587 -0.006426 -0.009216 0.00374
C 1.12927 13.61749 28.13268 -0.004903 0.004566 -0.000156
C 1.91105 12.51675 27.9749 0.008706 -0.006056 0.000156
C 6.76843 12.52382 23.34074 0.005626 -0.009295 -0.000793
C 1.67162 11.35825 28.78123 -0.001358 0.000944 -0.000674
C 8.12562 12.08148 23.08671 -0.01268 -0.044017 -0.000582
C 2.53066 12.14211 26.6562 0.002543 0.005186 5.7e-05
C 1.47356 10.66953 24.28444 0.027798 -0.00238 0.000246
C 1.03954 13.82619 25.64518 -0.006703 0.013104 0.001243
C 6.54554 13.62547 24.1804 0.004174 0.014258 -0.001694
C 0.13041 13.89834 24.51736 0.013076 0.005775 -0.001113
C 6.76847 10.193 23.34174 0.016815 0.009128 -0.000547
C 1.85416 12.7566 25.50405 0.000504 -0.016799 -0.000715
C 0.38362 12.77254 23.66398 0.033832 0.020157 -0.000203
C 5.57399 13.82623 27.63356 0.004083 0.000196 -0.000861
C 4.7593 12.75663 27.77403 0.005874 -0.006569 -0.001008
C 0.38363 9.9442 23.66442 0.0244 -0.005439 2e-06
C 6.48317 13.89822 28.76184 -0.009248 -0.003073 -0.001054
C 4.08282 12.14216 26.62172 4.6e-05 0.002386 -0.001194
C 8.12564 10.63534 23.08758 -0.016804 0.032361 -0.000406
C 1.47353 12.04711 24.28428 0.022869 0.00393 -4e-05
C 0.76989 14.48526 26.95208 0.007419 0.004127 -0.001798
C 8.13619 14.69445 27.16264 -0.008164 -0.003233 0.002189
C 5.48433 13.61751 25.1459 0.003329 0.018346 -0.000128
C 6.54558 9.09137 24.18074 0.002101 -0.013074 -0.001621
C 5.8438 14.48522 26.3266 -0.008244 0.00338 -0.000987
C 7.65908 14.31407 24.76907 -0.006556 0.02085 0.000388
C 7.29598 14.69436 26.116 0.009733 -0.007481 -0.003423
C 7.65909 8.40269 24.76925 -1.3e-05 -0.01995 0.000274
C 0.67805 11.35823 29.77542 0.000859 0.000542 0.000185
C 4.70243 12.51681 25.3031 -0.016161 -0.012289 -0.002271
C 5.53875 1.45934 25.14616 0.005434 -0.012158 0.000703
C 6.3207 2.55997 25.30347 0.014059 0.004102 -0.003207
C 2.35955 2.55303 29.93927 0.005955 -0.005212 -0.000139
C 6.08124 3.71854 24.49693 0.029633 -0.001972 0.001637
C 3.71675 2.99539 30.19892 0.017473 -0.002747 -0.000707
C 6.94026 2.93458 26.62189 0.001168 -0.003129 0.002684
C 5.88312 4.40723 28.99419 -0.001623 -0.001763 -0.000416
C 5.44908 1.25056 27.63361 -0.002833 -0.002505 0.00082
C 2.13661 1.45137 29.09837 0.010915 -0.001212 0.000311
C 4.53992 1.17847 28.7619 0.009255 0.003172 -0.001379
C 2.35953 4.88384 29.93944 0.004753 0.003843 -6.4e-05
C 6.2638 2.32009 27.77419 -0.004332 0.005197 -0.003287
C 4.79318 2.30432 29.61586 0.004639 0.004876 -0.000547
C 1.16497 1.25049 25.64491 0.015517 -0.018445 -0.002305
C 0.35041 2.32013 25.50373 -0.008698 0.023447 0.003085
C 4.79315 5.13257 29.61604 0.00719 -0.004111 -0.000464
C 2.07418 1.17854 24.51738 -0.008472 -0.025136 0.00091
C 8.49241 2.93457 26.65615 -0.000541 -0.006471 -0.00326
C 3.71672 4.4415 30.19902 0.017236 0.002225 -0.000498
C 5.88316 3.02965 28.99411 -0.001374 0.002191 -0.000159
C 5.17927 0.59159 26.32667 0.008911 -0.004399 -0.000951
C 3.7271 0.38246 26.116 -0.008322 0.008797 -0.008947
C 1.07538 1.45927 28.13259 0.004332 -0.004563 -0.00128
C 2.13659 5.98554 29.09864 0.00916 0.00196 0.000682
C 1.43471 0.59149 26.95194 -0.00708 -0.00286 0.000752
C 3.25011 0.76268 28.50954 -0.001852 0.003578 -0.002537
C 2.88689 0.38235 27.16251 0.005548 0.003271 0.008109
C 3.25009 6.6742 28.50989 -0.00116 -0.003424 0.000148
C 5.08762 3.7186 23.5041 -0.005176 0.002046 -0.001502
C 0.29353 2.55995 27.97476 -0.00596 0.005819 0.00255
C 5.48433 9.09912 25.14618 -0.002816 -0.018144 0.000759
C 4.70237 10.19976 25.30324 -0.012159 0.009077 -0.003066
C 8.66352 10.19281 29.9394 -0.005852 -0.004896 -0.000214
C 4.94183 11.35832 24.49635 -0.023786 -0.000299 0.001021
C 7.30632 10.63518 30.19888 -0.01803 -0.0031 -0.00082
C 4.08281 10.57437 26.62177 5e-05 -0.001534 0.001497
C 5.13996 12.04702 28.99398 0.001548 -0.000773 -0.001288
C 5.574 8.89034 27.6336 0.003851 -0.000704 0.001837
C 0.06801 9.09115 29.09853 -0.011509 -0.002197 -0.000287
C 6.48316 8.81826 28.76191 -0.00885 0.002847 -0.001924
C 8.66355 12.52363 29.93935 -0.005282 0.005646 -0.000431
C 4.75928 9.95988 27.77414 0.005742 0.005538 -0.003417
C 6.2299 9.94411 29.61588 -0.007822 0.006677 -0.000802
C 1.03964 8.89028 25.64527 -0.00574 -0.01329 0.002272
C 1.85421 9.95992 25.50416 0.001323 0.016151 -0.000832
C 6.22992 12.77236 29.61581 -0.005878 -0.004928 -0.001061
C 0.13044 8.81833 24.51759 0.011364 -0.015672 -0.001149
C 2.53067 10.57436 26.6563 0.002784 -0.005377 -0.000294
C 7.30636 12.08129 30.19884 -0.019313 0.005395 -0.000937
C 5.13992 10.66944 28.99409 0.001447 0.001371 -0.000354
C 5.84381 8.23138 26.32678 -0.0094 -0.005455 -0.002704
C 7.29598 8.02224 26.11605 0.008634 0.00576 -0.001152
C 1.12924 9.09905 28.13277 -0.004078 -0.004572 0.000334
C 0.06803 13.62533 29.09848 -0.010913 0.002481 -0.000313
C 0.7699 8.23128 26.9522 0.007286 -0.003982 -0.002073
C 7.77296 8.40247 28.50969 0.00041 0.003783 -0.000272
C 8.13618 8.02214 27.16268 -0.007377 0.004098 0.000607
C 7.77299 14.31399 28.50962 0.00073 -0.004157 -0.001296
C 5.93546 11.35839 23.503 0.003148 -0.000662 -0.001834
C 1.91109 10.19974 27.97498 0.008035 0.005228 0.000308
C 1.07535 5.9777 28.13285 0.003358 0.004093 -0.001069
C 0.29357 4.87696 27.97486 -0.006725 -0.005461 0.001944
C 4.25465 4.88403 23.34328 -0.026495 -0.023266 -0.000313
C 0.533 3.71846 28.78114 0.000936 -0.001168 -0.001993
C 2.89746 4.4417 23.09001 0.033079 -0.054871 -0.00021
C 8.49242 4.50232 26.65622 -0.001646 0.005363 -0.000544
C 0.73105 3.02974 24.28436 -0.033329 0.006404 -0.000531
C 1.16508 6.1864 25.64539 0.011769 0.018191 -0.001735
C 4.47754 5.98568 24.18125 0.006497 0.029872 -0.000862
C 2.0742 6.25855 24.51796 -0.007793 0.032499 0.000987
C 4.25461 2.55321 23.34218 -0.016427 0.024393 -0.000604
C 0.35045 5.11681 25.50404 -0.007768 -0.022739 0.001259
C 1.821 5.13276 23.66434 -0.032645 0.015802 0.000145
C 5.44909 6.18645 27.63389 -0.002509 0.001198 0.000712
C 6.26377 5.11685 27.77431 -0.004551 -0.005641 -0.001571
C 1.82099 2.30441 23.66373 -0.043149 -0.028668 -0.000217
C 4.53991 6.25844 28.76217 0.009976 -0.00432 -0.000988
C 6.94026 4.50237 26.62199 0.000719 0.00201 0.000196
C 2.89744 2.99555 23.08907 0.030163 0.070393 -0.000293
C 0.73109 4.40733 24.28461 -0.037849 -0.008243 0.000161
C 1.43472 6.84548 26.95226 -0.007315 0.00273 0.002395
C 2.88688 7.05466 27.16304 0.007812 -0.003083 -0.001356
C 5.53874 5.97772 25.14668 0.00959 0.013828 0.00048
C 4.47749 1.45158 24.18079 0.004391 -0.031333 -0.001248
C 5.17928 6.84544 26.32706 0.009146 0.005135 -0.001406
C 3.364 6.67429 24.76966 -0.010418 0.020654 -0.000323
C 3.7271 7.05457 26.11638 -0.008849 -0.005087 0.001015
C 3.36398 0.76291 24.76915 -0.004762 -0.02329 0.001785
C 1.52656 3.71844 29.77533 -0.000312 -0.000346 0.000964
C 6.32064 4.87702 25.30363 0.01198 -0.000978 -0.002153
168
energy=-1515.04708692 config_type=nep2xyz pbc="T T T" virial="-38.23009050258066 0.11366051481249843 -0.022664823338489327 0.11366051481249843 -43.52402976760068 0.007526907936158794 -0.022664823338489327 0.007526907936158794 -5.005519926840617" 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 19.98514 0.004819 0.004901 0.002403
C 1.47141 0.89094 19.98651 -0.005637 -0.003612 0.00331
C 2.93782 0.89094 19.98107 0.008905 0.015653 0.000144
C 3.67602 2.16424 19.96711 -0.005569 -0.005611 -0.006964
C 0.73321 4.71084 19.98369 0.005987 -0.010289 0.001052
C 1.47141 3.43754 19.97524 0.005757 0.003445 -0.003312
C 2.93782 3.43754 19.96107 -0.009609 -0.013369 -0.009628
C 3.67602 4.71084 19.96311 0.000347 0.018345 -0.008829
C 0.73321 7.25743 19.98687 0.014844 -0.017193 0.004779
C 1.47141 5.98413 19.98309 0.003089 0.017261 0.001281
C 2.93782 5.98413 19.97583 0.00324 -0.016179 -0.002372
C 3.67602 7.25743 19.98562 -0.002818 -0.009276 0.003591
C 0.73321 9.80403 19.9757 -0.0007 -0.011329 -0.001877
C 1.47141 8.53073 19.98477 -0.011445 0.019524 0.003748
C 2.93782 8.53073 19.98839 -0.00632 -0.001935 0.006176
C 3.67602 9.80403 19.98856 0.006601 0.01293 0.006395
C 0.73321 12.35062 19.97265 0.00716 -0.000634 -0.003367
C 1.47141 11.07732 19.97841 -0.008728 0.007938 -0.001391
C 2.93782 11.07732 19.98671 -0.003932 -0.006265 0.00435
C 3.67602 12.35062 19.98742 0.013545 8.5e-05 0.005373
C 0.73321 14.89722 19.98733 0.014301 1e-06 0.004595
C 1.47141 13.62392 19.98353 -0.007511 -0.009463 0.002887
C 2.93782 13.62392 19.98802 -0.011028 -0.007545 0.005768
C 3.67602 14.89722 19.9873 -0.00078 0.009824 0.004511
C 5.14244 2.16424 19.97383 0.000814 -0.014153 -0.004436
C 5.88064 0.89094 19.98424 -0.016241 0.019095 0.002262
C 7.34705 0.89094 19.98831 0.003815 -0.003389 0.005485
C 8.08525 2.16424 19.98822 0.003846 0.009105 0.005285
C 5.14244 4.71084 19.97162 -0.002886 -0.002645 -0.005508
C 5.88064 3.43754 19.97568 0.01079 0.003159 -0.003764
C 7.34705 3.43754 19.98527 -0.017332 -0.005586 0.002882
C 8.08525 4.71084 19.98778 0.001885 0.003103 0.004583
C 5.14244 7.25743 19.98704 0.007331 -0.008593 0.00438
C 5.88064 5.98413 19.9835 -0.012501 -0.002931 0.001852
C 7.34705 5.98413 19.98841 -0.000757 -0.008983 0.005793
C 8.08525 7.25743 19.9878 -0.001556 0.009374 0.005673
C 5.14244 9.80403 19.98504 -0.000504 -0.006351 0.003642
C 5.88064 8.53073 19.98639 -0.000268 0.008736 0.004239
C 7.34705 8.53073 19.98196 0.005041 0.00758 0.001896
C 8.08525 9.80403 19.97017 -0.000745 0.009789 -0.004458
C 5.14244 12.35062 19.98281 -0.007195 -0.000425 0.001867
C 5.88064 11.07732 19.97705 0.020192 0.006815 -0.001721
C 7.34705 11.07732 19.9646 -0.010078 -0.006108 -0.007119
C 8.08525 12.35062 19.96586 -0.003395 0.00369 -0.006578
C 5.14244 14.89722 19.98655 0.009739 -0.011689 0.003861
C 5.88064 13.62392 19.98279 0.004783 0.006195 0.001769
C 7.34705 13.62392 19.97671 -0.001834 -0.008286 -0.00116
C 8.08525 14.89722 19.98606 -0.005582 -0.006915 0.004024
C 1.34973 13.61749 28.13268 -0.00485 0.004273 -0.000434
C 2.13151 12.51675 27.97485 0.008241 -0.006072 0.000567
C 6.98889 12.52382 23.34094 0.005962 -0.009537 -0.000753
C 1.89208 11.35825 28.7812 -0.00133 0.000967 -0.001034
C 8.34608 12.08148 23.08641 -0.012537 -0.049607 -0.000553
C 2.75112 12.14211 26.65615 0.002109 0.005268 -0.000677
C 1.69403 10.66953 24.2842 0.026796 -0.009644 0.000383
C 1.26 13.82619 25.64517 -0.006476 0.011884 0.001187
C 6.766 13.62547 24.18043 0.000938 0.011243 -0.002205
C 0.35088 13.89834 24.51741 0.00992 0.007388 -0.001212
C 6.98893 10.193 23.3419 0.020675 0.012589 -0.000419
C 2.07462 12.7566 25.50395 0.001048 -0.016016 -0.00035
C 0.60408 12.77254 23.66388 0.035163 0.017884 -0.000209
C 5.79445 13.82623 27.63356 0.004081 -0.000377 -0.000159
C 4.97976 12.75663 27.77403 0.005407 -0.006809 -0.001678
C 0.60409 9.9442 23.6644 0.024675 -0.003583 2.4e-05
C 6.70363 13.89822 28.76186 -0.00931 -0.003019 -0.001293
C 4.30328 12.14216 26.62169 0.000393 0.002369 -0.000319
C 8.3461 10.63534 23.08729 -0.017764 0.035425 -0.00037
C 1.69399 12.04711 24.28404 0.020161 0.009861 -0.000215
C 0.99035 14.48526 26.95209 0.00734 0.003666 -0.002073
C 8.35665 14.69445 27.16266 -0.006666 -0.003298 0.004708
C 5.7048 13.61751 25.14587 0.00522 0.020802 0.000679
C 6.76604 9.09137 24.18076 8.3e-05 -0.012507 -0.002222
C 6.06426 14.48522 26.32663 -0.008828 0.003753 -0.001534
C 7.87954 14.31407 24.76916 -0.000637 0.01969 0.001216
C 7.51644 14.69436 26.11608 0.008151 -0.007415 -0.005926
C 7.87955 8.40269 24.7693 0.002365 -0.018234 0.001464
C 0.89851 11.35823 29.7754 0.000893 0.000508 0.000293
C 4.92289 12.51681 25.30307 -0.017086 -0.016516 -0.003371
C 5.75921 1.45934 25.14634 0.008364 -0.0094 -9.5e-05
C 6.54116 2.55997 25.30364 0.012173 -0.000759 -0.002028
C 2.58001 2.55303 29.93928 0.005798 -0.005148 -0.000114
C 6.3017 3.71854 24.49711 0.02768 -0.000893 0.000401
C 3.93722 2.99539 30.19897 0.017114 -0.002593 -0.000651
C 7.16072 2.93458 26.62201 0.001761 -0.002922 0.001688
C 6.10358 4.40723 28.99425 -0.001484 -0.001624 -0.000406
C 5.66954 1.25056 27.6337 -0.002828 -0.003047 0.000329
C 2.35707 1.45137 29.09839 0.010536 -0.001064 0.000276
C 4.76038 1.17847 28.76196 0.008926 0.002869 -0.001044
C 2.57999 4.88384 29.93945 0.004704 0.003837 -3.3e-05
C 6.48426 2.32009 27.77428 -0.004181 0.005007 -0.00241
C 5.01364 2.30432 29.61592 0.004548 0.004792 -0.000535
C 1.38543 1.25049 25.6449 0.016486 -0.019232 -0.002449
C 0.57087 2.32013 25.50371 -0.00826 0.025059 0.002613
C 5.01362 5.13257 29.61608 0.006863 -0.00392 -0.000425
C 2.29464 1.17854 24.51739 -0.009514 -0.022587 0.001118
C 8.71287 2.93457 26.65614 -0.000163 -0.006245 -0.002352
C 3.93718 4.4415 30.19906 0.016991 0.002285 -0.000421
C 6.10362 3.02965 28.9942 -0.001199 0.002032 -0.000197
C 5.39973 0.59159 26.32675 0.008652 -0.004647 -0.00053
C 3.94756 0.38246 26.11601 -0.009312 0.008244 -0.005379
C 1.29584 1.45927 28.1326 0.00434 -0.004525 -0.001072
C 2.35705 5.98554 29.09864 0.008846 0.001791 0.000715
C 1.65517 0.59149 26.95194 -0.00731 -0.003165 0.001304
C 3.47057 0.76268 28.50957 -0.001506 0.003973 -0.001651
C 3.10736 0.38235 27.16258 0.006269 0.002949 0.004661
C 3.47055 6.6742 28.50991 -0.001148 -0.003647 0.000408
C 5.30808 3.7186 23.50451 -0.006286 0.00285 -0.000977
C 0.51399 2.55995 27.97477 -0.005707 0.005877 0.002129
C 5.70479 9.09912 25.14618 -0.002931 -0.01858 0.001618
C 4.92284 10.19976 25.30324 -0.011994 0.010703 -0.004025
C 0.06552 10.19281 29.9394 -0.005619 -0.004633 -0.000225
C 5.16229 11.35832 24.49634 -0.023892 0.000637 0.00229
C 7.52678 10.63518 30.19888 -0.017911 -0.003402 -0.000818
C 4.30327 10.57437 26.62176 0.000251 -0.001305 0.001811
C 5.36042 12.04702 28.99398 0.00148 -0.000749 -0.001112
C 5.79446 8.89034 27.63361 0.003733 -0.000286 0.002338
C 0.28847 9.09115 29.09853 -0.011253 -0.002059 -0.000244
C 6.70362 8.81826 28.76192 -0.008641 0.002818 -0.002112
C 0.06555 12.52363 29.93935 -0.005123 0.005399 -0.000467
C 4.97974 9.95988 27.77415 0.005327 0.005734 -0.00372
C 6.45036 9.94411 29.61589 -0.00807 0.007033 -0.000749
C 1.26011 8.89028 25.64527 -0.005221 -0.012221 0.003063
C 2.07467 9.95992 25.50409 0.000948 0.015631 -0.001392
C 6.45038 12.77236 29.61581 -0.006103 -0.005176 -0.001035
C 0.3509 8.81833 24.51767 0.010377 -0.015005 -0.001624
C 2.75113 10.57436 26.65623 0.002434 -0.005393 8.4e-05
C 7.52682 12.08129 30.19884 -0.019205 0.005733 -0.00095
C 5.36038 10.66944 28.9941 0.001361 0.001308 -0.000358
C 6.06427 8.23138 26.32681 -0.009846 -0.00577 -0.003096
C 7.51644 8.02224 26.11613 0.006779 0.005436 -0.004171
C 1.3497 9.09905 28.13276 -0.004138 -0.004416 0.000327
C 0.28849 13.62533 29.09848 -0.01063 0.002323 -0.000207
C 0.99037 8.23128 26.95222 0.007755 -0.004211 -0.003038
C 7.99343 8.40247 28.50974 0.000488 0.003123 -0.00104
C 8.35664 8.02214 27.16268 -0.00581 0.004644 0.003768
C 7.99345 14.31399 28.50967 0.000991 -0.003493 -0.001978
C 6.15592 11.35839 23.50275 -0.000772 0.000202 -0.002345
C 2.13155 10.19974 27.97494 0.007679 0.005313 0.000324
C 1.29581 5.9777 28.13284 0.003359 0.003933 -0.00119
C 0.51403 4.87696 27.97485 -0.006323 -0.005504 0.002034
C 4.47511 4.88403 23.34335 -0.021414 -0.020442 -0.000457
C 0.75346 3.71846 28.78114 0.001093 -0.001046 -0.001733
C 3.11792 4.4417 23.08968 0.033753 -0.051955 -0.000245
C 8.71288 4.50232 26.65621 -0.00112 0.005315 -0.001224
C 0.95151 3.02974 24.28435 -0.032839 0.004059 -0.000367
C 1.38554 6.1864 25.64535 0.013133 0.018763 -0.002871
C 4.698 5.98568 24.18132 0.005557 0.027213 -0.000234
C 2.29466 6.25855 24.51792 -0.006697 0.031305 0.001568
C 4.47507 2.55321 23.34231 -0.015835 0.024672 -0.000677
C 0.57091 5.11681 25.50397 -0.008325 -0.02403 0.002262
C 2.04146 5.13276 23.6642 -0.037944 0.016559 5.4e-05
C 5.66955 6.18645 27.63396 -0.002482 0.001624 0.000144
C 6.48424 5.11685 27.77439 -0.00437 -0.005535 -0.001173
C 2.04145 2.30441 23.6637 -0.046593 -0.028523 -0.000213
C 4.76037 6.25844 28.76221 0.00988 -0.004027 -0.000651
C 7.16072 4.50237 26.62209 0.001177 0.002154 0.000115
C 3.1179 2.99555 23.08884 0.03265 0.063562 -0.000319
C 0.95155 4.40733 24.28458 -0.03507 -0.007139 -0.000133
C 1.65518 6.84548 26.95223 -0.007118 0.002403 0.003323
C 3.10735 7.05466 27.16308 0.007811 -0.002426 -0.002535
C 5.7592 5.97772 25.14679 0.010119 0.012973 -0.000319
C 4.69796 1.45158 24.18087 0.002543 -0.031004 -0.000633
C 5.39974 6.84544 26.32711 0.009093 0.005197 -0.000652
C 3.58446 6.67429 24.7697 -0.011851 0.021506 -0.000978
C 3.94756 7.05457 26.1164 -0.009428 -0.00521 0.002134
C 3.58445 0.76291 24.76919 -0.003358 -0.023264 0.000658
C 1.74703 3.71844 29.77533 -0.000415 -0.000337 0.000891
C 6.54111 4.87702 25.30375 0.011397 0.000994 -0.001257
168
energy=-1515.04607229 config_type=nep2xyz pbc="T T T" virial="-38.2544373165194 0.09456992149955937 -0.027794894669279122 0.09456992149955937 -43.56372474576679 0.008704301356340058 -0.027794894669279122 0.008704301356340058 -4.979322923241584" 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 19.98638 0.004139 0.002406 0.003136
C 1.47141 0.89094 19.98676 -0.003634 -0.004696 0.003376
C 2.93782 0.89094 19.98083 0.010333 0.018597 -7.8e-05
C 3.67602 2.16424 19.96668 -0.010479 -0.006653 -0.007386
C 0.73321 4.71084 19.98497 0.004158 -0.005814 0.00185
C 1.47141 3.43754 19.9773 0.015419 0.003252 -0.002432
C 2.93782 3.43754 19.96155 -0.012277 -0.013778 -0.009458
C 3.67602 4.71084 19.96248 -0.00376 0.01971 -0.009209
C 0.73321 7.25743 19.98686 0.015492 -0.01515 0.004671
C 1.47141 5.98413 19.98369 0.004359 0.016689 0.001671
C 2.93782 5.98413 19.97569 0.004602 -0.0169 -0.002499
C 3.67602 7.25743 19.98539 -0.002652 -0.01027 0.003081
C 0.73321 9.80403 19.9742 0.002986 -0.008273 -0.002807
C 1.47141 8.53073 19.98395 -0.010025 0.01834 0.002985
C 2.93782 8.53073 19.98803 -0.008325 -0.000688 0.005633
C 3.67602 9.80403 19.98854 0.005268 0.012436 0.006238
C 0.73321 12.35062 19.97067 0.01227 0.000414 -0.004513
C 1.47141 11.07732 19.97583 -0.005482 0.007015 -0.002701
C 2.93782 11.07732 19.98573 -0.007698 -0.00548 0.003647
C 3.67602 12.35062 19.98737 0.012325 -0.001194 0.005179
C 0.73321 14.89722 19.98694 0.014618 -0.002136 0.004277
C 1.47141 13.62392 19.98197 -0.0061 -0.010542 0.001796
C 2.93782 13.62392 19.98731 -0.014068 -0.006449 0.005036
C 3.67602 14.89722 19.987 -0.000666 0.008386 0.004222
C 5.14244 2.16424 19.97255 0.001457 -0.01403 -0.00509
C 5.88064 0.89094 19.98372 -0.016149 0.018801 0.002027
C 7.34705 0.89094 19.98833 0.002723 -0.003491 0.005635
C 8.08525 2.16424 19.98865 0.001494 0.010098 0.005695
C 5.14244 4.71084 19.96991 -0.000498 -0.002131 -0.006458
C 5.88064 3.43754 19.97427 0.006753 0.003926 -0.004527
C 7.34705 3.43754 19.98506 -0.01468 -0.005243 0.002894
C 8.08525 4.71084 19.98813 0.00093 0.000426 0.004922
C 5.14244 7.25743 19.98676 0.007435 -0.008753 0.004019
C 5.88064 5.98413 19.98256 -0.012145 -0.005095 0.001195
C 7.34705 5.98413 19.98818 -0.00305 -0.006816 0.005431
C 8.08525 7.25743 19.98777 -0.002411 0.008103 0.005718
C 5.14244 9.80403 19.98616 -0.001638 -0.003135 0.004424
C 5.88064 8.53073 19.9869 0.001411 0.00577 0.004728
C 7.34705 8.53073 19.98228 0.004807 0.008017 0.002202
C 8.08525 9.80403 19.97053 -0.000981 0.010131 -0.004349
C 5.14244 12.35062 19.98425 -0.007159 -0.001813 0.00289
C 5.88064 11.07732 19.97911 0.017879 0.006095 -0.000396
C 7.34705 11.07732 19.96659 -0.00348 -0.002593 -0.006486
C 8.08525 12.35062 19.96624 -0.005868 -0.002709 -0.006543
C 5.14244 14.89722 19.98665 0.008907 -0.009083 0.004008
C 5.88064 13.62392 19.98391 0.006568 0.005342 0.002534
C 7.34705 13.62392 19.97763 -0.004239 -0.009362 -0.000675
C 8.08525 14.89722 19.98619 -0.004751 -0.00499 0.004117
C 1.57019 13.61749 28.13271 -0.004774 0.003977 -0.000492
C 2.35197 12.51675 27.97485 0.007918 -0.006054 0.000717
C 7.20935 12.52382 23.34115 0.006942 -0.008857 -0.000706
C 2.11254 11.35825 28.7812 -0.00142 0.000874 -0.00097
C 8.56654 12.08148 23.08629 -0.013218 -0.054679 -0.000509
C 2.97158 12.14211 26.65614 0.001836 0.005142 -0.000997
C 1.91449 10.66953 24.28407 0.02503 -0.01596 0.000383
C 1.48046 13.82619 25.6452 -0.00667 0.011264 0.00094
C 6.98646 13.62547 24.1805 -0.001618 0.009338 -0.00218
C 0.57134 13.89834 24.5175 0.007961 0.009746 -0.001067
C 7.20939 10.193 23.34198 0.02391 0.014933 -0.00039
C 2.29509 12.7566 25.50392 0.001878 -0.015672 2.2e-05
C 0.82454 12.77254 23.66389 0.036399 0.014845 -0.000196
C 6.01491 13.82623 27.63359 0.003973 -0.000623 9e-06
C 5.20023 12.75663 27.77406 0.005134 -0.007 -0.001864
C 0.82455 9.9442 23.66442 0.026183 -0.002256 6.6e-05
C 6.92409 13.89822 28.76189 -0.009383 -0.003026 -0.001294
C 4.52374 12.14216 26.6217 0.000597 0.002181 4.6e-05
C 8.56656 10.63534 23.08708 -0.019842 0.039559 -0.000338
C 1.91445 12.04711 24.28393 0.017335 0.014905 -0.000259
C 1.21082 14.48526 26.95213 0.007377 0.00331 -0.001929
C 8.57712 14.69445 27.16272 -0.005869 -0.003153 0.005401
C 5.92526 13.61751 25.14591 0.006207 0.021724 0.000897
C 6.9865 9.09137 24.18077 -0.001269 -0.013094 -0.002317
C 6.28472 14.48522 26.32668 -0.009374 0.004293 -0.001528
C 8.1 14.31407 24.76928 0.004128 0.01798 0.001422
C 7.7369 14.69436 26.11616 0.007153 -0.007074 -0.006583
C 8.10001 8.40269 24.76935 0.003284 -0.016184 0.002192
C 1.11897 11.35823 29.77541 0.000999 0.000431 0.000298
C 5.14336 12.51681 25.30308 -0.017889 -0.018814 -0.003515
C 5.97967 1.45934 25.14648 0.010127 -0.007198 -0.000475
C 6.76162 2.55997 25.30375 0.010852 -0.003844 -0.001278
C 2.80048 2.55303 29.93932 0.005693 -0.005063 -5.4e-05
C 6.52217 3.71854 24.49717 0.023471 0.000137 -0.000364
C 4.15768 2.99539 30.199 0.017 -0.002696 -0.000537
C 7.38119 2.93458 26.6221 0.002049 -0.002517 0.001169
C 6.32404 4.40723 28.9943 -0.00134 -0.001426 -0.000479
C 5.89 1.25056 27.63378 -0.00276 -0.003239 7.3e-05
C 2.57753 1.45137 29.09843 0.010396 -0.001052 0.000244
C 4.98084 1.17847 28.76201 0.008647 0.002626 -0.000938
C 2.80045 4.88384 29.93947 0.004704 0.003924 1.1e-05
C 6.70472 2.32009 27.77435 -0.004178 0.004973 -0.002053
C 5.2341 2.30432 29.61598 0.004738 0.005012 -0.000494
C 1.60589 1.25049 25.64496 0.016438 -0.019309 -0.002054
C 0.79133 2.32013 25.50376 -0.007491 0.025505 0.002032
C 5.23408 5.13257 29.61612 0.006637 -0.003964 -0.000432
C 2.5151 1.17854 24.51746 -0.011179 -0.019844 0.001026
C 0.11487 2.93457 26.65618 -0.000169 -0.005896 -0.001518
C 4.15764 4.4415 30.19908 0.016997 0.002659 -0.000376
C 6.32408 3.02965 28.99426 -0.001105 0.001854 -0.000221
C 5.62019 0.59159 26.32683 0.008632 -0.005052 -0.000542
C 4.16802 0.38246 26.11604 -0.00962 0.007522 -0.002971
C 1.5163 1.45927 28.13264 0.004345 -0.004514 -0.000853
C 2.57751 5.98554 29.09866 0.008764 0.001731 0.000674
C 1.87563 0.59149 26.95198 -0.007729 -0.003607 0.00137
C 3.69103 0.76268 28.50962 -0.001127 0.004152 -0.000954
C 3.32782 0.38235 27.16265 0.006685 0.002839 0.002363
C 3.69101 6.6742 28.50993 -0.001072 -0.003639 0.000402
C 5.52854 3.7186 23.50466 -0.002727 0.003446 -0.000634
C 0.73445 2.55995 27.97481 -0.005717 0.005967 0.001706
C 5.92525 9.09912 25.14622 -0.003153 -0.017569 0.001718
C 5.1433 10.19976 25.30327 -0.012026 0.010849 -0.004033
C 0.28599 10.19281 29.93942 -0.005454 -0.004454 -0.00017
C 5.38276 11.35832 24.49635 -0.021317 0.001502 0.002575
C 7.74725 10.63518 30.19889 -0.017876 -0.003728 -0.000789
C 4.52374 10.57437 26.62178 0.000267 -0.001006 0.001684
C 5.58088 12.04702 28.994 0.001358 -0.000755 -0.001051
C 6.01492 8.89034 27.63363 0.003522 -0.000255 0.002085
C 0.50893 9.09115 29.09855 -0.011082 -0.001982 -0.000233
C 6.92408 8.81826 28.76193 -0.008412 0.002829 -0.001961
C 0.28601 12.52363 29.93938 -0.004997 0.005124 -0.000415
C 5.2002 9.95988 27.77417 0.005119 0.005923 -0.003497
C 6.67082 9.94411 29.61591 -0.008122 0.007285 -0.000732
C 1.48057 8.89028 25.64529 -0.00548 -0.011717 0.003182
C 2.29513 9.95992 25.50405 0.001111 0.015676 -0.001389
C 6.67084 12.77236 29.61584 -0.006323 -0.005389 -0.00097
C 0.57136 8.81833 24.51773 0.010548 -0.01451 -0.001728
C 2.97159 10.57436 26.65622 0.002149 -0.005278 9e-05
C 7.74728 12.08129 30.19885 -0.0191 0.005956 -0.00092
C 5.58084 10.66944 28.99412 0.001271 0.001265 -0.000372
C 6.28473 8.23138 26.32684 -0.010156 -0.006128 -0.002671
C 7.7369 8.02224 26.1162 0.00551 0.00519 -0.006269
C 1.57016 9.09905 28.13277 -0.004256 -0.004291 0.000337
C 0.50895 13.62533 29.09852 -0.010338 0.002233 -0.000165
C 1.21083 8.23128 26.95224 0.008252 -0.004492 -0.00325
C 8.21389 8.40247 28.50978 0.000552 0.002664 -0.001443
C 8.5771 8.02214 27.16269 -0.004805 0.004922 0.005619
C 8.21391 14.31399 28.50973 0.001153 -0.002998 -0.002156
C 6.37638 11.35839 23.5026 -0.007354 0.001057 -0.002409
C 2.35201 10.19974 27.97493 0.007379 0.00543 0.000311
C 1.51627 5.9777 28.13286 0.003495 0.00378 -0.001025
C 0.73449 4.87696 27.97488 -0.006292 -0.005587 0.001764
C 4.69557 4.88403 23.34321 -0.016743 -0.016232 -0.000509
C 0.97392 3.71846 28.78117 0.001289 -0.000841 -0.001243
C 3.33838 4.4417 23.08918 0.032702 -0.050317 -0.000246
C 0.11488 4.50232 26.65624 -0.000938 0.005065 -0.001161
C 1.17197 3.02974 24.28437 -0.03085 2.6e-05 -0.000122
C 1.606 6.1864 25.64534 0.01369 0.018876 -0.002792
C 4.91846 5.98568 24.18132 0.004283 0.02379 7.5e-05
C 2.51512 6.25855 24.51789 -0.006564 0.028856 0.00159
C 4.69553 2.55321 23.34233 -0.016291 0.023198 -0.000703
C 0.79138 5.11681 25.50398 -0.008267 -0.024344 0.002221
C 2.26192 5.13276 23.66415 -0.041765 0.015832 4.7e-05
C 5.89001 6.18645 27.634 -0.002507 0.001842 -0.000473
C 6.7047 5.11685 27.77443 -0.004387 -0.005617 -0.000724
C 2.26191 2.30441 23.66382 -0.047869 -0.025677 -0.000156
C 4.98083 6.25844 28.76224 0.009772 -0.003748 -0.000329
C 7.38118 4.50237 26.62214 0.001399 0.002091 -0.00028
C 3.33836 2.99555 23.08854 0.033769 0.057774 -0.000309
C 1.17201 4.40733 24.28456 -0.030639 -0.003665 -0.00011
C 1.87565 6.84548 26.95224 -0.007129 0.002283 0.003233
C 3.32781 7.05466 27.1631 0.007723 -0.001959 -0.002688
C 5.97966 5.97772 25.14682 0.009198 0.012359 -0.000766
C 4.91842 1.45158 24.18093 0.000641 -0.029601 -0.000322
C 5.6202 6.84544 26.32713 0.009145 0.005421 -0.000133
C 3.80492 6.67429 24.76973 -0.011843 0.021191 -0.001209
C 4.16802 7.05457 26.11641 -0.009599 -0.005303 0.002434
C 3.80491 0.76291 24.76924 -0.001379 -0.022035 4.8e-05
C 1.96749 3.71844 29.77536 -0.000556 -0.000289 0.000771
C 6.76157 4.87702 25.30381 0.011582 0.001255 -0.000589
168
energy=-1515.04474249 config_type=nep2xyz pbc="T T T" virial="-38.289338621474776 0.06673297706527377 -0.0268697998391367 0.06673297706527377 -43.59547231834667 0.010260142661579584 -0.0268697998391367 0.010260142661579584 -4.942487329095913" 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 19.98718 0.002309 0.001037 0.003572
C 1.47141 0.89094 19.98688 -0.000453 -0.0043 0.003399
C 2.93782 0.89094 19.98079 0.01045 0.020115 -0.000141
C 3.67602 2.16424 19.96688 -0.013439 -0.006085 -0.007226
C 0.73321 4.71084 19.98583 0.001345 -0.002233 0.002431
C 1.47141 3.43754 19.97901 0.02259 0.002209 -0.001673
C 2.93782 3.43754 19.9626 -0.013621 -0.012255 -0.008955
C 3.67602 4.71084 19.96256 -0.007975 0.01817 -0.009139
C 0.73321 7.25743 19.98679 0.013914 -0.011596 0.004416
C 1.47141 5.98413 19.98419 0.006891 0.013537 0.001903
C 2.93782 5.98413 19.97587 0.004812 -0.016614 -0.002471
C 3.67602 7.25743 19.98528 -0.002913 -0.010776 0.002848
C 0.73321 9.80403 19.9725 0.006234 -0.005482 -0.00381
C 1.47141 8.53073 19.98306 -0.008824 0.017761 0.002125
C 2.93782 8.53073 19.98766 -0.009357 0.000241 0.004836
C 3.67602 9.80403 19.98842 0.004134 0.010217 0.005759
C 0.73321 12.35062 19.96856 0.015109 0.002871 -0.005642
C 1.47141 11.07732 19.9728 -0.0001 0.004389 -0.004132
C 2.93782 11.07732 19.98453 -0.013365 -0.004246 0.002456
C 3.67602 12.35062 19.98723 0.010723 -0.001386 0.004645
C 0.73321 14.89722 19.98645 0.013061 -0.004561 0.003833
C 1.47141 13.62392 19.98029 -0.004845 -0.011346 0.000669
C 2.93782 13.62392 19.98655 -0.015687 -0.004218 0.004171
C 3.67602 14.89722 19.98676 -0.001341 0.005925 0.003887
C 5.14244 2.16424 19.97168 0.00162 -0.011846 -0.005344
C 5.88064 0.89094 19.98334 -0.014447 0.0179 0.001949
C 7.34705 0.89094 19.98831 0.000841 -0.003202 0.005683
C 8.08525 2.16424 19.98883 0.000458 0.010458 0.005692
C 5.14244 4.71084 19.9686 0.002227 -0.002572 -0.007028
C 5.88064 3.43754 19.97312 0.001689 0.004704 -0.005043
C 7.34705 3.43754 19.98474 -0.012179 -0.004131 0.002546
C 8.08525 4.71084 19.9882 0.001084 -0.00236 0.00501
C 5.14244 7.25743 19.98656 0.006511 -0.007759 0.003864
C 5.88064 5.98413 19.98173 -0.009738 -0.007768 0.000752
C 7.34705 5.98413 19.98786 -0.005644 -0.004488 0.005189
C 8.08525 7.25743 19.98767 -0.002581 0.005868 0.005515
C 5.14244 9.80403 19.98714 -0.002271 0.000903 0.004938
C 5.88064 8.53073 19.98737 0.002843 0.002638 0.005135
C 7.34705 8.53073 19.98255 0.005211 0.009765 0.002344
C 8.08525 9.80403 19.97077 -0.001069 0.007858 -0.004403
C 5.14244 12.35062 19.98558 -0.006273 -0.003436 0.003687
C 5.88064 11.07732 19.98096 0.015165 0.004822 0.0007
C 7.34705 11.07732 19.96845 0.002069 0.000821 -0.005843
C 8.08525 12.35062 19.96655 -0.007423 -0.006543 -0.006557
C 5.14244 14.89722 19.98681 0.007275 -0.006194 0.004175
C 5.88064 13.62392 19.98499 0.008269 0.003956 0.003392
C 7.34705 13.62392 19.97857 -0.004675 -0.010852 -0.000232
C 8.08525 14.89722 19.98628 -0.00373 -0.003833 0.004133
C 1.79065 13.61749 28.13276 -0.00456 0.003712 -0.00076
C 2.57243 12.51675 27.97487 0.007561 -0.006079 0.001176
C 7.42981 12.52382 23.3414 0.007894 -0.007504 -0.000504
C 2.333 11.35825 28.78123 -0.001321 0.000693 -0.001196
C 8.787 12.08148 23.08639 -0.015211 -0.057582 -0.000431
C 3.19204 12.14211 26.65618 0.001645 0.004901 -0.001378
C 2.13495 10.66953 24.28406 0.023401 -0.019907 0.000461
C 1.70092 13.82619 25.64526 -0.007479 0.011446 0.000325
C 7.20692 13.62547 24.18062 -0.002971 0.008765 -0.002305
C 0.7918 13.89834 24.51761 0.007172 0.012524 -0.00075
C 7.42985 10.193 23.34202 0.025607 0.016166 -0.000306
C 2.51555 12.7566 25.50394 0.003038 -0.016115 0.000603
C 1.045 12.77254 23.66398 0.0379 0.012065 -8.9e-05
C 6.23537 13.82623 27.63365 0.003794 -0.000617 0.000272
C 5.42069 12.75663 27.77412 0.004901 -0.007069 -0.001939
C 1.04501 9.9442 23.66446 0.029153 -0.002393 9.1e-05
C 7.14455 13.89822 28.76195 -0.009501 -0.00305 -0.001198
C 4.7442 12.14216 26.62176 0.000514 0.001972 0.000531
C 8.78702 10.63534 23.08702 -0.022862 0.043355 -0.000275
C 2.13491 12.04711 24.28395 0.015277 0.017636 -0.000319
C 1.43128 14.48526 26.95218 0.007427 0.003077 -0.000929
C 8.79758 14.69445 27.16281 -0.005766 -0.002807 0.00425
C 6.14572 13.61751 25.14601 0.005625 0.02096 0.00111
C 7.20697 9.09137 24.1808 -0.001411 -0.014685 -0.002444
C 6.50518 14.48522 26.32677 -0.009707 0.004903 -0.001781
C 8.32046 14.31407 24.76941 0.007243 0.01655 0.001234
C 7.95736 14.69436 26.11624 0.006945 -0.006559 -0.005264
C 8.32048 8.40269 24.76938 0.002706 -0.014804 0.002771
C 1.33944 11.35823 29.77543 0.000956 0.000329 0.000462
C 5.36382 12.51681 25.30316 -0.017802 -0.018433 -0.003843
C 6.20014 1.45934 25.14655 0.010324 -0.00622 -0.000568
C 6.98209 2.55997 25.30379 0.010282 -0.004435 -0.001117
C 3.02094 2.55303 29.93937 0.005635 -0.004961 1.2e-05
C 6.74263 3.71854 24.49711 0.018379 0.001036 -0.000512
C 4.37814 2.99539 30.19901 0.017035 -0.003016 -0.000476
C 7.60165 2.93458 26.62213 0.002004 -0.001963 0.000959
C 6.5445 4.40723 28.9943 -0.001233 -0.001246 -0.000509
C 6.11046 1.25056 27.63382 -0.002685 -0.003001 0.000179
C 2.79799 1.45137 29.09849 0.010468 -0.001154 0.000206
C 5.2013 1.17847 28.76204 0.00833 0.002488 -0.000902
C 3.02091 4.88384 29.93949 0.004761 0.004098 1.9e-05
C 6.92518 2.32009 27.77439 -0.004315 0.005064 -0.002012
C 5.45456 2.30432 29.61603 0.005296 0.005584 -0.000427
C 1.82636 1.25049 25.64505 0.015202 -0.018442 -0.000966
C 1.01179 2.32013 25.50386 -0.006385 0.02465 0.001235
C 5.45454 5.13257 29.61612 0.006513 -0.004285 -0.000414
C 2.73556 1.17854 24.51757 -0.012595 -0.017423 0.000634
C 0.33533 2.93457 26.65623 -0.000425 -0.005443 -0.000663
C 4.3781 4.4415 30.19907 0.01727 0.003366 -0.00038
C 6.54454 3.02965 28.9943 -0.001068 0.001676 -0.000191
C 5.84065 0.59159 26.32688 0.008927 -0.005637 -0.000219
C 4.38848 0.38246 26.11612 -0.00856 0.006831 -0.004009
C 1.73676 1.45927 28.1327 0.00442 -0.004449 -0.000485
C 2.79797 5.98554 29.09868 0.008947 0.001752 0.000634
C 2.0961 0.59149 26.95207 -0.008313 -0.004162 0.000389
C 3.9115 0.76268 28.50969 -0.000871 0.003857 -0.001152
C 3.54828 0.38235 27.16269 0.006075 0.00317 0.00367
C 3.91147 6.6742 28.50995 -0.001043 -0.003541 0.000243
C 5.749 3.7186 23.50449 0.004022 0.003873 -0.000585
C 0.95491 2.55995 27.97488 -0.005884 0.006004 0.001396
C 6.14571 9.09912 25.14628 -0.004181 -0.01529 0.002024
C 5.36376 10.19976 25.30336 -0.011681 0.009176 -0.00432
C 0.50645 10.19281 29.93944 -0.005399 -0.004432 -0.000103
C 5.60322 11.35832 24.49641 -0.017816 0.00205 0.003067
C 7.96771 10.63518 30.19891 -0.017853 -0.003945 -0.000717
C 4.7442 10.57437 26.62183 5.6e-05 -0.000815 0.001956
C 5.80134 12.04702 28.99405 0.0013 -0.000691 -0.000849
C 6.23538 8.89034 27.63367 0.003353 -0.000325 0.002365
C 0.72939 9.09115 29.09857 -0.010988 -0.001874 -0.000196
C 7.14454 8.81826 28.76196 -0.00819 0.002606 -0.002016
C 0.50647 12.52363 29.93942 -0.004919 0.004932 -0.000364
C 5.42066 9.95988 27.77422 0.004897 0.005942 -0.003591
C 6.89128 9.94411 29.61594 -0.007902 0.007385 -0.000624
C 1.70103 8.89028 25.64529 -0.006502 -0.012167 0.003375
C 2.51559 9.95992 25.50404 0.001646 0.016545 -0.0014
C 6.89131 12.77236 29.61589 -0.006462 -0.005473 -0.000884
C 0.79182 8.81833 24.51778 0.011469 -0.014086 -0.001777
C 3.19205 10.57436 26.65623 0.001871 -0.005077 0.000316
C 7.96774 12.08129 30.19889 -0.018909 0.00595 -0.00086
C 5.8013 10.66944 28.99415 0.001201 0.001311 -0.000209
C 6.50519 8.23138 26.32687 -0.010243 -0.006439 -0.002617
C 7.95736 8.02224 26.11625 0.004773 0.005133 -0.007893
C 1.79062 9.09905 28.13279 -0.004344 -0.004191 0.00034
C 0.72941 13.62533 29.09857 -0.010132 0.002076 0.000115
C 1.43129 8.23128 26.95226 0.008767 -0.00474 -0.003506
C 8.43435 8.40247 28.50981 0.000561 0.002467 -0.001712
C 8.79757 8.02214 27.1627 -0.004157 0.004962 0.007236
C 8.43437 14.31399 28.5098 0.001145 -0.002751 -0.001802
C 6.59684 11.35839 23.50268 -0.013611 0.002012 -0.00246
C 2.57247 10.19974 27.97494 0.007103 0.005607 0.000492
C 1.73673 5.9777 28.13288 0.003627 0.003679 -0.001098
C 0.95495 4.87696 27.97491 -0.006315 -0.005724 0.001933
C 4.91603 4.88403 23.34291 -0.013236 -0.01191 -0.000563
C 1.19438 3.71846 28.78122 0.001283 -0.000562 -0.001195
C 3.55884 4.4417 23.08857 0.030044 -0.050735 -0.000248
C 0.33534 4.50232 26.65628 -0.001066 0.004763 -0.001642
C 1.39244 3.02974 24.28438 -0.027978 -0.005814 9.4e-05
C 1.82646 6.1864 25.64536 0.013316 0.017778 -0.003086
C 5.13892 5.98568 24.18125 0.00338 0.019969 0.000148
C 2.73559 6.25855 24.51788 -0.006947 0.025846 0.001676
C 4.91599 2.55321 23.34227 -0.018045 0.021014 -0.000672
C 1.01184 5.11681 25.504 -0.007871 -0.023403 0.002585
C 2.48238 5.13276 23.66417 -0.043539 0.013923 1.3e-05
C 6.11047 6.18645 27.634 -0.002635 0.001642 -0.000595
C 6.92516 5.11685 27.77443 -0.004497 -0.005855 -0.00073
C 2.48237 2.30441 23.66403 -0.046653 -0.020636 -8.1e-05
C 5.20129 6.25844 28.76223 0.009692 -0.003431 -0.000349
C 7.60164 4.50237 26.62214 0.00133 0.001925 -0.000154
C 3.55882 2.99555 23.08818 0.033606 0.053173 -0.000267
C 1.39247 4.40733 24.28453 -0.025275 0.001729 -0.000241
C 2.09611 6.84548 26.95226 -0.007244 0.002403 0.003323
C 3.54827 7.05466 27.1631 0.00743 -0.001712 -0.002076
C 6.20013 5.97772 25.14676 0.006762 0.012582 -0.000907
C 5.13888 1.45158 24.18095 -0.000601 -0.027319 -0.00022
C 5.84066 6.84544 26.32712 0.009334 0.005674 0.000109
C 4.02538 6.67429 24.76973 -0.011218 0.019808 -0.001075
C 4.38848 7.05457 26.11643 -0.009244 -0.005393 0.001646
C 4.02537 0.76291 24.7693 0.000206 -0.019923 0.000464
C 2.18795 3.71844 29.77541 -0.000603 -0.000198 0.000783
C 6.98203 4.87702 25.30378 0.012543 -0.000752 -0.000547
168
energy=-1515.04356127 config_type=nep2xyz pbc="T T T" virial="-38.32936999776094 0.03431260824528255 -0.01816549848279664 0.03431260824528255 -43.59610306482177 0.004331125795666793 -0.01816549848279664 0.004331125795666793 -4.916879022206971" 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 19.98757 0.000192 0.001353 0.004476
C 1.47141 0.89094 19.98686 0.003394 -0.002691 0.003811
C 2.93782 0.89094 19.98101 0.009546 0.020323 1.1e-05
C 3.67602 2.16424 19.96793 -0.013787 -0.004804 -0.007483
C 0.73321 4.71084 19.9863 -0.002312 -4.6e-05 0.003215
C 1.47141 3.43754 19.98056 0.026288 0.0009 -0.000851
C 2.93782 3.43754 19.9646 -0.013402 -0.00908 -0.00889
C 3.67602 4.71084 19.9636 -0.011621 0.014838 -0.009493
C 0.73321 7.25743 19.98656 0.010257 -0.007104 0.004384
C 1.47141 5.98413 19.9846 0.010325 0.008809 0.002359
C 2.93782 5.98413 19.97649 0.004346 -0.015759 -0.002295
C 3.67602 7.25743 19.98524 -0.003837 -0.010485 0.002893
C 0.73321 9.80403 19.9709 0.009513 -0.004033 -0.005434
C 1.47141 8.53073 19.98218 -0.00824 0.018287 0.001345
C 2.93782 8.53073 19.9872 -0.00901 0.000348 0.004548
C 3.67602 9.80403 19.98809 0.003014 0.006835 0.005482
C 0.73321 12.35062 19.96673 0.015585 0.006514 -0.007462
C 1.47141 11.07732 19.96987 0.006053 0.000256 -0.006102
C 2.93782 11.07732 19.9832 -0.020282 -0.002539 0.001448
C 3.67602 12.35062 19.98689 0.00852 -0.00052 0.004448
C 0.73321 14.89722 19.98586 0.009802 -0.007187 0.003535
C 1.47141 13.62392 19.97874 -0.004084 -0.012704 -0.000553
C 2.93782 13.62392 19.98573 -0.015531 -0.000829 0.003748
C 3.67602 14.89722 19.98651 -0.002988 0.002397 0.004083
C 5.14244 2.16424 19.97135 0.001414 -0.007946 -0.005853
C 5.88064 0.89094 19.98302 -0.011613 0.016617 0.002078
C 7.34705 0.89094 19.98804 -0.001451 -0.002462 0.006008
C 8.08525 2.16424 19.98858 0.000595 0.009759 0.006242
C 5.14244 4.71084 19.96793 0.004638 -0.0042 -0.007707
C 5.88064 3.43754 19.97233 -0.00254 0.005172 -0.00585
C 7.34705 3.43754 19.98417 -0.011186 -0.002208 0.002444
C 8.08525 4.71084 19.98783 0.002349 -0.004308 0.005196
C 5.14244 7.25743 19.9863 0.004637 -0.006048 0.004059
C 5.88064 5.98413 19.98095 -0.005527 -0.010143 0.000373
C 7.34705 5.98413 19.98725 -0.00806 -0.002279 0.005183
C 8.08525 7.25743 19.98732 -0.002486 0.00306 0.005553
C 5.14244 9.80403 19.98773 -0.002103 0.004785 0.005747
C 5.88064 8.53073 19.98759 0.003638 0.000239 0.00564
C 7.34705 8.53073 19.98269 0.006413 0.012369 0.002427
C 8.08525 9.80403 19.97104 -0.001213 0.003229 -0.005175
C 5.14244 12.35062 19.98653 -0.005097 -0.004681 0.0045
C 5.88064 11.07732 19.98236 0.01288 0.002714 0.001458
C 7.34705 11.07732 19.97016 0.005051 0.003334 -0.006186
C 8.08525 12.35062 19.96704 -0.007602 -0.007541 -0.0075
C 5.14244 14.89722 19.98688 0.004966 -0.00319 0.00477
C 5.88064 13.62392 19.98585 0.009312 0.002176 0.004259
C 7.34705 13.62392 19.97943 -0.002864 -0.011905 -2.6e-05
C 8.08525 14.89722 19.98619 -0.002793 -0.003631 0.00427
C 2.01111 13.61749 28.13278 -0.005147 0.003295 0.001872
C 2.7929 12.51675 27.97497 0.008466 -0.005615 -0.002959
C 7.65028 12.52382 23.34176 0.008763 -0.007612 -0.001617
C 2.55347 11.35825 28.78119 -0.003276 0.000266 0.003352
C 0.189 12.08148 23.08674 -0.017997 -0.058035 -0.000385
C 3.4125 12.14211 26.65617 0.001825 0.004349 0.003215
C 2.35541 10.66953 24.28414 0.02243 -0.020418 -0.000101
C 1.92138 13.82619 25.6453 -0.008829 0.013222 0.001499
C 7.42738 13.62547 24.18074 -0.004635 0.011575 0.00211
C 1.01226 13.89834 24.51772 0.006898 0.015932 -3.2e-05
C 7.65031 10.193 23.34209 0.025533 0.017999 -0.001564
C 2.73601 12.7566 25.50402 0.003618 -0.017453 -0.002001
C 1.26547 12.77254 23.6641 0.039741 0.010314 -0.000163
C 6.45583 13.82623 27.63381 0.003412 0.000905 -0.003064
C 5.64115 12.75663 27.7742 0.005262 -0.006851 0.000805
C 1.26547 9.9442 23.66447 0.033316 -0.004442 -0.000211
C 7.36501 13.89822 28.76204 -0.009253 -0.003294 0.000145
C 4.96467 12.14216 26.62193 7.7e-05 0.001641 -0.003501
C 0.18902 10.63534 23.08715 -0.0262 0.046584 -0.00033
C 2.35537 12.04711 24.28407 0.015345 0.017504 0.00086
C 1.65174 14.48526 26.95226 0.007434 0.002786 -0.001728
C 0.19958 14.69445 27.16295 -0.0071 -0.002127 -1e-05
C 6.36618 13.61751 25.14629 0.005513 0.018368 -0.004604
C 7.42743 9.09137 24.18079 -0.002275 -0.019371 0.002798
C 6.72564 14.48522 26.32685 -0.010013 0.005485 0.001571
C 8.54093 14.31407 24.76958 0.009322 0.014991 -0.00211
C 8.17782 14.69436 26.11629 0.008104 -0.005851 0.000202
C 8.54094 8.40269 24.76947 0.002219 -0.012351 -0.003056
C 1.5599 11.35823 29.77548 0.002023 9.4e-05 -0.001019
C 5.58428 12.51681 25.30323 -0.019174 -0.014375 0.004364
C 6.4206 1.45934 25.14657 0.008956 -0.006546 -0.001581
C 7.20255 2.55997 25.30371 0.011275 -0.002584 0.001299
C 3.2414 2.55303 29.93942 0.005356 -0.004617 0.000145
C 6.96309 3.71854 24.497 0.013441 0.001823 -0.002476
C 4.5986 2.99539 30.19901 0.017213 -0.003375 -0.000455
C 7.82211 2.93458 26.62217 0.001877 -0.001143 -0.003136
C 6.76496 4.40723 28.99429 -0.001163 -0.001087 -0.000799
C 6.33093 1.25056 27.63389 -0.002507 -0.003796 -0.00375
C 3.01846 1.45137 29.09854 0.01016 -0.001332 -0.000277
C 5.42177 1.17847 28.76203 0.00783 0.003077 0.001169
C 3.24137 4.88384 29.9395 0.004698 0.003934 0.000287
C 7.14564 2.32009 27.77434 -0.005423 0.005646 0.002163
C 5.67503 2.30432 29.61606 0.006037 0.005865 -0.000942
C 2.04682 1.25049 25.64515 0.013184 -0.017283 0.001088
C 1.23225 2.32013 25.50396 -0.005185 0.022701 -0.000418
C 5.675 5.13257 29.61611 0.006564 -0.0045 -0.000793
C 2.95602 1.17854 24.51769 -0.013478 -0.015512 -0.000255
C 0.55579 2.93457 26.65625 -0.000836 -0.005081 0.001318
C 4.59856 4.4415 30.19905 0.0177 0.004197 -0.0004
C 6.765 3.02965 28.99433 -0.000522 0.001204 -0.001434
C 6.06111 0.59159 26.32691 0.009297 -0.006044 0.001087
C 4.60894 0.38246 26.11613 -0.008914 0.005627 0.001035
C 1.95722 1.45927 28.13273 0.00491 -0.004261 0.001286
C 3.01843 5.98554 29.0987 0.008713 0.002217 -0.000696
C 2.31656 0.59149 26.95215 -0.008574 -0.004564 -0.000579
C 4.13196 0.76268 28.50976 -0.000541 0.003564 -0.000641
C 3.76874 0.38235 27.16278 0.007227 0.003215 -0.000597
C 4.13193 6.6742 28.50996 -0.000922 -0.003182 -0.000694
C 5.96946 3.7186 23.50407 0.011751 0.003938 -0.000234
C 1.17538 2.55995 27.97496 -0.006893 0.005777 -0.001788
C 6.36617 9.09912 25.14648 -0.003676 -0.011315 -0.005413
C 5.58422 10.19976 25.30339 -0.014107 0.004721 0.005162
C 0.72691 10.19281 29.93945 -0.005173 -0.004308 8.2e-05
C 5.82368 11.35832 24.49671 -0.009731 0.002393 -0.008297
C 8.18817 10.63518 30.19896 -0.017733 -0.004004 -0.000697
C 4.96466 10.57437 26.62203 -0.000695 -0.00041 -0.004886
C 6.0218 12.04702 28.99415 0.001075 -0.000806 -0.001179
C 6.45584 8.89034 27.63384 0.002895 -0.003151 -0.005329
C 0.94985 9.09115 29.09858 -0.010426 -0.001643 -0.000266
C 7.365 8.81826 28.76197 -0.007598 0.003398 0.00146
C 0.72694 12.52363 29.93947 -0.004757 0.00434 9.7e-05
C 5.64112 9.95988 27.77422 0.006162 0.006212 0.002728
C 7.11174 9.94411 29.61602 -0.007451 0.006935 -0.001035
C 1.92149 8.89028 25.64535 -0.009047 -0.012256 -0.00239
C 2.73605 9.95992 25.50401 0.003212 0.017663 0.001278
C 7.11177 12.77236 29.61599 -0.006475 -0.005223 -0.000955
C 1.01228 8.81833 24.51776 0.013303 -0.015068 0.001871
C 3.41251 10.57436 26.65626 0.00154 -0.004963 0.000438
C 8.1882 12.08129 30.19896 -0.018669 0.005668 -0.000695
C 6.02177 10.66944 28.99425 0.0005 0.001002 -0.001713
C 6.72566 8.23138 26.32684 -0.010299 -0.006548 0.003741
C 8.17782 8.02224 26.11617 0.007273 0.00448 0.00142
C 2.01109 9.09905 28.13279 -0.004707 -0.004343 0.000747
C 0.94987 13.62533 29.09865 -0.009261 0.002421 -0.001034
C 1.65175 8.23128 26.9522 0.008536 -0.005117 0.001643
C 8.65481 8.40247 28.50983 0.000567 0.002598 -0.001073
C 0.19957 8.02214 27.16281 -0.006962 0.004031 -0.000761
C 8.65483 14.31399 28.50987 0.001014 -0.003021 -0.000618
C 6.8173 11.35839 23.50297 -0.020064 0.002898 0.001933
C 2.79293 10.19974 27.97499 0.007129 0.005463 -0.001727
C 1.95719 5.9777 28.13283 0.004816 0.003135 0.00248
C 1.17541 4.87696 27.97499 -0.008058 -0.005557 -0.002767
C 5.13649 4.88403 23.34253 -0.010724 -0.008643 -0.000574
C 1.41484 3.71846 28.78119 0.003276 -0.000348 0.003411
C 3.7793 4.4417 23.08791 0.026304 -0.053047 -0.000233
C 0.55581 4.50232 26.65623 -0.001392 0.004284 0.00357
C 1.6129 3.02974 24.28433 -0.025231 -0.012287 0.00039
C 2.04693 6.1864 25.64528 0.011546 0.018048 0.00445
C 5.35939 5.98568 24.18113 0.003082 0.015916 -0.00048
C 2.95605 6.25855 24.51789 -0.006426 0.021854 -0.001539
C 5.13645 2.55321 23.3422 -0.020684 0.019061 -0.000596
C 1.2323 5.11681 25.50409 -0.005823 -0.021956 -0.002829
C 2.70284 5.13276 23.66419 -0.043391 0.012005 0.000362
C 6.33093 6.18645 27.63397 -0.002643 0.001625 -0.001649
C 7.14562 5.11685 27.77438 -0.004718 -0.006196 0.000436
C 2.70284 2.30441 23.66424 -0.043227 -0.014895 0.000294
C 5.42176 6.25844 28.76219 0.009309 -0.003442 0.000337
C 7.8221 4.50237 26.62212 0.00099 0.001746 -0.001787
C 3.77928 2.99555 23.0878 0.032342 0.050397 -0.000283
C 1.61293 4.40733 24.2844 -0.020866 0.008275 0.001233
C 2.31657 6.84548 26.95235 -0.007732 0.002237 -0.003696
C 3.76873 7.05466 27.16305 0.006546 -0.001975 0.00168
C 6.42059 5.97772 25.14663 0.003075 0.013798 -0.00077
C 5.35934 1.45158 24.18094 -0.000512 -0.02433 -0.000124
C 6.06113 6.84544 26.32708 0.009585 0.005909 -0.000513
C 4.24584 6.67429 24.7697 -0.010325 0.018382 9.5e-05
C 4.60895 7.05457 26.11643 -0.008165 -0.005636 -0.000829
C 4.24583 0.76291 24.76938 0.000358 -0.016799 -0.000838
C 2.40841 3.71844 29.77546 -0.001765 -0.000151 -0.000799
C 7.20249 4.87702 25.30365 0.014341 -0.00484 0.000634
168
energy=-1515.04311413 config_type=nep2xyz pbc="T T T" virial="-38.3453489084634 4.204976500647371e-05 0.0 4.204976500647371e-05 -43.59816350330709 0.004373175560673266 0.0 0.004373175560673266 -4.903507196934912" 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 19.98787 -0.001631 0.003413 0.004945
C 1.47141 0.89094 19.98699 0.006878 -0.000736 0.004056
C 2.93782 0.89094 19.98149 0.008547 0.019566 0.000524
C 3.67602 2.16424 19.96926 -0.012436 -0.00389 -0.006544
C 0.73321 4.71084 19.98664 -0.005765 0.00036 0.003815
C 1.47141 3.43754 19.9819 0.02515 -0.000878 0.000263
C 2.93782 3.43754 19.96699 -0.010929 -0.004555 -0.007661
C 3.67602 4.71084 19.96495 -0.014197 0.010727 -0.008616
C 0.73321 7.25743 19.98649 0.006036 -0.002133 0.004179
C 1.47141 5.98413 19.98511 0.013591 0.003636 0.002949
C 2.93782 5.98413 19.97743 0.003905 -0.014391 -0.001644
C 3.67602 7.25743 19.98547 -0.006117 -0.009249 0.003091
C 0.73321 9.80403 19.96926 0.01243 -0.003891 -0.006545
C 1.47141 8.53073 19.98149 -0.008547 0.019556 0.000524
C 2.93782 8.53073 19.98699 -0.00688 -0.000726 0.004056
C 3.67602 9.80403 19.98787 0.001626 0.003416 0.004945
C 0.73321 12.35062 19.96495 0.014197 0.010736 -0.008617
C 1.47141 11.07732 19.96699 0.01094 -0.004554 -0.007662
C 2.93782 11.07732 19.9819 -0.025144 -0.000879 0.000264
C 3.67602 12.35062 19.98664 0.005766 0.000351 0.003814
C 0.73321 14.89722 19.98547 0.006128 -0.009249 0.003091
C 1.47141 13.62392 19.97743 -0.00391 -0.014388 -0.001644
C 2.93782 13.62392 19.98511 -0.013597 0.003633 0.002949
C 3.67602 14.89722 19.98649 -0.006025 -0.002131 0.004179
C 5.14244 2.16424 19.97113 0.001282 -0.002612 -0.005598
C 5.88064 0.89094 19.98285 -0.008626 0.014855 0.002277
C 7.34705 0.89094 19.98786 -0.003291 -0.001317 0.005863
C 8.08525 2.16424 19.98827 0.00142 0.007786 0.006127
C 5.14244 4.71084 19.96738 0.006561 -0.00621 -0.0077
C 5.88064 3.43754 19.97136 -0.004952 0.0048 -0.005946
C 7.34705 3.43754 19.98343 -0.011739 0.000284 0.002022
C 8.08525 4.71084 19.98733 0.003789 -0.004935 0.004952
C 5.14244 7.25743 19.98622 0.002964 -0.004513 0.004093
C 5.88064 5.98413 19.9802 -0.000993 -0.011913 0.000163
C 7.34705 5.98413 19.98664 -0.009337 -4.1e-05 0.004695
C 8.08525 7.25743 19.98711 -0.003114 -7.2e-05 0.005194
C 5.14244 9.80403 19.98827 -0.001428 0.007782 0.006128
C 5.88064 8.53073 19.98786 0.003289 -0.001327 0.005862
C 7.34705 8.53073 19.98285 0.008624 0.014864 0.002278
C 8.08525 9.80403 19.97113 -0.001289 -0.00261 -0.005597
C 5.14244 12.35062 19.98733 -0.003792 -0.004925 0.004953
C 5.88064 11.07732 19.98343 0.011747 0.000286 0.002021
C 7.34705 11.07732 19.97136 0.004958 0.004799 -0.005945
C 8.08525 12.35062 19.96738 -0.006562 -0.006218 -0.007699
C 5.14244 14.89722 19.98711 0.003123 -7.2e-05 0.005195
C 5.88064 13.62392 19.98664 0.00933 -3.7e-05 0.004695
C 7.34705 13.62392 19.9802 0.000986 -0.011916 0.000163
C 8.08525 14.89722 19.98622 -0.002956 -0.004512 0.004092
C 2.23157 13.61749 28.13282 -0.005027 0.003133 0.002509
C 3.01336 12.51675 27.975 0.008383 -0.005568 -0.003201
C 7.87074 12.52382 23.34212 0.009508 -0.007346 -0.001114
C 2.77393 11.35825 28.7812 -0.003447 -3.4e-05 0.003783
C 0.40946 12.08148 23.08727 -0.022002 -0.056091 -0.000293
C 3.63296 12.14211 26.65621 0.001662 0.004202 0.003717
C 2.57587 10.66953 24.28424 0.023126 -0.017593 0.000115
C 2.14184 13.82619 25.6453 -0.010151 0.015646 0.003375
C 7.64784 13.62547 24.18093 -0.003885 0.013338 0.000975
C 1.23272 13.89834 24.51783 0.006684 0.018857 -0.000828
C 7.87078 10.193 23.34213 0.023623 0.018256 -0.001149
C 2.95647 12.7566 25.50407 0.004679 -0.019585 -0.002608
C 1.48593 12.77254 23.66418 0.04181 0.010419 0.000105
C 6.6763 13.82623 27.6339 0.003018 0.001282 -0.002403
C 5.86161 12.75663 27.77429 0.004997 -0.006545 0.000679
C 1.48593 9.9442 23.6644 0.038363 -0.008877 -9e-06
C 7.58547 13.89822 28.76211 -0.009284 -0.003374 0.000381
C 5.18513 12.14216 26.62203 -0.000446 0.001603 -0.002763
C 0.40949 10.63534 23.08742 -0.02953 0.048552 -0.000301
C 2.57584 12.04711 24.28424 0.017129 0.013965 0.00115
C 1.8722 14.48526 26.95232 0.007659 0.002514 -0.003142
C 0.42004 14.69445 27.16302 -0.006899 -0.001979 0.000725
C 6.58664 13.61751 25.14646 0.001544 0.01593 -0.00286
C 7.64789 9.09137 24.18086 -0.000767 -0.021919 0.001666
C 6.9461 14.48522 26.32697 -0.009854 0.005922 0.000638
C 8.76139 14.31407 24.76966 0.009958 0.016116 -0.001318
C 8.39828 14.69436 26.11637 0.008112 -0.00563 0.000245
C 8.7614 8.40269 24.76945 0.000611 -0.01385 -0.002336
C 1.78036 11.35823 29.77548 0.001995 -4.4e-05 -0.001025
C 5.80474 12.51681 25.30344 -0.01701 -0.009765 0.002792
C 6.64106 1.45934 25.14655 0.006293 -0.00842 -0.003877
C 7.42301 2.55997 25.30356 0.012742 0.000801 0.003599
C 3.46186 2.55303 29.93945 0.00525 -0.004436 0.00015
C 7.18355 3.71854 24.49685 0.009932 0.002261 -0.005922
C 4.81906 2.99539 30.19899 0.017522 -0.003805 -0.000544
C 8.04257 2.93458 26.62211 0.001316 -0.000657 -0.004337
C 6.98542 4.40723 28.99423 -0.001113 -0.000938 -0.000959
C 6.55139 1.25056 27.63388 -0.00261 -0.003641 -0.005164
C 3.23892 1.45137 29.09858 0.010278 -0.001501 -0.000259
C 5.64223 1.17847 28.76201 0.0076 0.003284 0.001652
C 3.46183 4.88384 29.93949 0.004712 0.004134 0.000209
C 7.36611 2.32009 27.77429 -0.005856 0.005963 0.002798
C 5.89549 2.30432 29.61605 0.006798 0.006482 -0.001024
C 2.26728 1.25049 25.64527 0.011138 -0.01461 -0.000968
C 1.45271 2.32013 25.504 -0.004153 0.020048 0.000566
C 5.89546 5.13257 29.61605 0.006562 -0.004912 -0.000932
C 3.17649 1.17854 24.51774 -0.013832 -0.01507 0.001118
C 0.77625 2.93457 26.65627 -0.001199 -0.004905 0.000995
C 4.81903 4.4415 30.19901 0.018205 0.00502 -0.00053
C 6.98546 3.02965 28.9943 -0.000487 0.001117 -0.001619
C 6.28157 0.59159 26.32688 0.009896 -0.006422 0.002886
C 4.82941 0.38246 26.11617 -0.007932 0.004917 0.001354
C 2.17768 1.45927 28.13277 0.004885 -0.004312 0.001115
C 3.2389 5.98554 29.09869 0.008955 0.00233 -0.000921
C 2.53702 0.59149 26.95219 -0.008681 -0.004989 0.000717
C 4.35242 0.76268 28.50981 -0.000567 0.00293 -0.001124
C 3.9892 0.38235 27.16281 0.007095 0.003664 -0.000462
C 4.3524 6.6742 28.50993 -0.000919 -0.003026 -0.000646
C 6.18993 3.7186 23.50349 0.018241 0.003562 0.001133
C 1.39584 2.55995 27.97499 -0.007069 0.005625 -0.001997
C 6.58663 9.09912 25.14655 -0.006307 -0.008405 -0.003878
C 5.80468 10.19976 25.30356 -0.012728 0.000768 0.003597
C 0.94737 10.19281 29.93945 -0.005228 -0.004414 0.000149
C 6.04414 11.35832 24.49685 -0.009932 0.002271 -0.005924
C 8.40863 10.63518 30.19899 -0.017533 -0.003806 -0.000544
C 5.18512 10.57437 26.62211 -0.001319 -0.000649 -0.004328
C 6.24227 12.04702 28.99423 0.001105 -0.000935 -0.000961
C 6.6763 8.89034 27.63388 0.002625 -0.003662 -0.005162
C 1.17031 9.09115 29.09858 -0.010287 -0.001517 -0.000256
C 7.58546 8.81826 28.76201 -0.007599 0.003296 0.001652
C 0.9474 12.52363 29.93949 -0.004719 0.004121 0.000209
C 5.86159 9.95988 27.77429 0.00585 0.005976 0.002792
C 7.3322 9.94411 29.61605 -0.006807 0.00648 -0.001024
C 2.14195 8.89028 25.64527 -0.011123 -0.014595 -0.000972
C 2.95652 9.95992 25.504 0.004146 0.02004 0.000573
C 7.33223 12.77236 29.61606 -0.006546 -0.004898 -0.000932
C 1.23274 8.81833 24.51774 0.01384 -0.015069 0.00112
C 3.63298 10.57436 26.65627 0.001192 -0.00492 0.000984
C 8.40867 12.08129 30.19901 -0.018213 0.005022 -0.000529
C 6.24223 10.66944 28.9943 0.000499 0.001085 -0.001617
C 6.94612 8.23138 26.32688 -0.009881 -0.006416 0.002887
C 8.39829 8.02224 26.11617 0.007911 0.004929 0.001348
C 2.23155 9.09905 28.13277 -0.004863 -0.004284 0.001111
C 1.17033 13.62533 29.09868 -0.008956 0.002338 -0.000918
C 1.87221 8.23128 26.95219 0.008677 -0.004986 0.000717
C 0.05681 8.40247 28.50981 0.000553 0.002932 -0.00113
C 0.42003 8.02214 27.16281 -0.007087 0.003658 -0.000451
C 0.05683 14.31399 28.50993 0.000929 -0.003029 -0.000662
C 7.03777 11.35839 23.50349 -0.018245 0.003561 0.001134
C 3.01339 10.19974 27.97499 0.007058 0.005593 -0.001991
C 2.17766 5.9777 28.13282 0.005036 0.003141 0.002508
C 1.39587 4.87696 27.975 -0.008388 -0.005572 -0.003201
C 5.35695 4.88403 23.34212 -0.00952 -0.007356 -0.001111
C 1.6353 3.71846 28.7812 0.003445 -5.2e-05 0.003789
C 3.99977 4.4417 23.08727 0.022014 -0.056081 -0.000292
C 0.77627 4.50232 26.65621 -0.001667 0.004199 0.003705
C 1.83336 3.02974 24.28424 -0.023122 -0.017606 0.000117
C 2.26739 6.1864 25.6453 0.010165 0.015674 0.003368
C 5.57985 5.98568 24.18093 0.003878 0.013346 0.000963
C 3.17651 6.25855 24.51783 -0.006687 0.018858 -0.000834
C 5.35692 2.55321 23.34213 -0.023614 0.018275 -0.001149
C 1.45276 5.11681 25.50407 -0.004703 -0.019622 -0.002597
C 2.9233 5.13276 23.66418 -0.041807 0.010406 0.000107
C 6.5514 6.18645 27.6339 -0.003037 0.0013 -0.002395
C 7.36608 5.11685 27.7743 -0.00498 -0.006579 0.00067
C 2.9233 2.30441 23.6644 -0.038376 -0.008876 -8e-06
C 5.64222 6.25844 28.76211 0.009283 -0.003378 0.000376
C 8.04256 4.50237 26.62203 0.000457 0.001621 -0.002752
C 3.99974 2.99555 23.08742 0.02954 0.048542 -0.000301
C 1.8334 4.40733 24.28424 -0.017133 0.013976 0.001146
C 2.53703 6.84548 26.95232 -0.007669 0.002505 -0.003132
C 3.98919 7.05466 27.16302 0.006904 -0.001972 0.00071
C 6.64105 5.97772 25.14646 -0.001539 0.015926 -0.002852
C 5.5798 1.45158 24.18086 0.000755 -0.021931 0.001664
C 6.28159 6.84544 26.32697 0.009852 0.005921 0.000634
C 4.4663 6.67429 24.76966 -0.009939 0.01612 -0.001295
C 4.82941 7.05457 26.11637 -0.00812 -0.005636 0.000231
C 4.46629 0.76291 24.76945 -0.000619 -0.013831 -0.002334
C 2.62887 3.71844 29.77548 -0.001996 -3e-05 -0.001028
C 7.42295 4.87702 25.30344 0.017 -0.009768 0.002786
168
energy=-1515.04356158 config_type=nep2xyz pbc="T T T" virial="-38.32936999776094 -0.0342285087152696 0.018207548247803115 -0.0342285087152696 -43.59610306482177 0.004331125795666793 0.018207548247803115 0.004331125795666793 -4.916879022206971" 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 19.98809 -0.003013 0.006835 0.005482
C 1.47141 0.89094 19.9872 0.009011 0.000347 0.004549
C 2.93782 0.89094 19.98218 0.008241 0.018287 0.001345
C 3.67602 2.16424 19.97091 -0.009512 -0.004033 -0.005435
C 0.73321 4.71084 19.98689 -0.008518 -0.00052 0.004449
C 1.47141 3.43754 19.9832 0.020283 -0.002539 0.001448
C 2.93782 3.43754 19.96987 -0.006052 0.000256 -0.006103
C 3.67602 4.71084 19.96673 -0.015584 0.006514 -0.007464
C 0.73321 7.25743 19.98651 0.002989 0.002397 0.004084
C 1.47141 5.98413 19.98572 0.015532 -0.000829 0.003749
C 2.93782 5.98413 19.97874 0.004085 -0.012705 -0.000553
C 3.67602 7.25743 19.98586 -0.009801 -0.007188 0.003535
C 0.73321 9.80403 19.96793 0.013788 -0.004804 -0.007484
C 1.47141 8.53073 19.98101 -0.009545 0.020323 1.1e-05
C 2.93782 8.53073 19.98686 -0.003393 -0.002691 0.003812
C 3.67602 9.80403 19.98757 -0.000191 0.001353 0.004477
C 0.73321 12.35062 19.9636 0.011622 0.014838 -0.009494
C 1.47141 11.07732 19.9646 0.013403 -0.00908 -0.008891
C 2.93782 11.07732 19.98056 -0.026287 0.000901 -0.000851
C 3.67602 12.35062 19.9863 0.002313 -4.6e-05 0.003216
C 0.73321 14.89722 19.98524 0.003838 -0.010485 0.002893
C 1.47141 13.62392 19.97649 -0.004345 -0.015759 -0.002295
C 2.93782 13.62392 19.9846 -0.010324 0.00881 0.002359
C 3.67602 14.89722 19.98656 -0.010256 -0.007104 0.004384
C 5.14244 2.16424 19.97104 0.001212 0.003229 -0.005176
C 5.88064 0.89094 19.98269 -0.006414 0.012369 0.002427
C 7.34705 0.89094 19.98759 -0.003639 0.000239 0.00564
C 8.08525 2.16424 19.98773 0.002102 0.004785 0.005748
C 5.14244 4.71084 19.96704 0.007601 -0.007542 -0.007502
C 5.88064 3.43754 19.97017 -0.005052 0.003334 -0.006188
C 7.34705 3.43754 19.98236 -0.012881 0.002714 0.001458
C 8.08525 4.71084 19.98653 0.005096 -0.004681 0.004501
C 5.14244 7.25743 19.98619 0.002792 -0.003631 0.00427
C 5.88064 5.98413 19.97943 0.002863 -0.011906 -2.7e-05
C 7.34705 5.98413 19.98585 -0.009313 0.002176 0.00426
C 8.08525 7.25743 19.98688 -0.004967 -0.00319 0.004771
C 5.14244 9.80403 19.98858 -0.000596 0.009759 0.006243
C 5.88064 8.53073 19.98804 0.00145 -0.002461 0.006009
C 7.34705 8.53073 19.98302 0.011612 0.016617 0.002078
C 8.08525 9.80403 19.97135 -0.001415 -0.007946 -0.005854
C 5.14244 12.35062 19.98783 -0.00235 -0.004307 0.005197
C 5.88064 11.07732 19.98417 0.011185 -0.002208 0.002444
C 7.34705 11.07732 19.97233 0.002539 0.005172 -0.005851
C 8.08525 12.35062 19.96793 -0.004639 -0.0042 -0.007709
C 5.14244 14.89722 19.98732 0.002485 0.003061 0.005554
C 5.88064 13.62392 19.98725 0.008059 -0.002278 0.005184
C 7.34705 13.62392 19.98095 0.005526 -0.010142 0.000373
C 8.08525 14.89722 19.9863 -0.004639 -0.006048 0.004059
C 2.45204 13.61749 28.13283 -0.00481 0.003128 0.002485
C 3.23382 12.51675 27.97499 0.008057 -0.005551 -0.002779
C 8.0912 12.52382 23.34253 0.010711 -0.008632 -0.000575
C 2.99439 11.35825 28.78119 -0.003282 -0.000334 0.003414
C 0.62993 12.08148 23.08791 -0.026292 -0.053058 -0.000233
C 3.85342 12.14211 26.65623 0.001388 0.004288 0.003583
C 2.79633 10.66953 24.28433 0.025235 -0.012274 0.000388
C 2.3623 13.82619 25.64528 -0.011533 0.018023 0.004464
C 7.86831 13.62547 24.18113 -0.003088 0.015904 -0.000478
C 1.45318 13.89834 24.51789 0.006423 0.02185 -0.001542
C 8.09124 10.193 23.3422 0.020694 0.019041 -0.000597
C 3.17693 12.7566 25.50409 0.005797 -0.021923 -0.002851
C 1.70639 12.77254 23.66419 0.043397 0.012019 0.000363
C 6.89676 13.82623 27.63397 0.002623 0.001606 -0.001657
C 6.08207 12.75663 27.77438 0.004735 -0.006162 0.000444
C 1.70639 9.9442 23.66424 0.043214 -0.014896 0.000293
C 7.80594 13.89822 28.76219 -0.009309 -0.003439 0.000343
C 5.40559 12.14216 26.62212 -0.000979 0.001728 -0.001801
C 0.62995 10.63534 23.0878 -0.032333 0.050408 -0.000283
C 2.7963 12.04711 24.2844 0.020863 0.008264 0.001241
C 2.09266 14.48526 26.95235 0.007723 0.002246 -0.003703
C 0.6405 14.69445 27.16305 -0.006542 -0.001981 0.001674
C 6.8071 13.61751 25.14663 -0.003071 0.013803 -0.000773
C 7.86835 9.09137 24.18094 0.000499 -0.024318 -0.000121
C 7.16657 14.48522 26.32708 -0.009587 0.005909 -0.000512
C 0.16339 14.31407 24.7697 0.010343 0.018384 8.8e-05
C 8.61874 14.69436 26.11643 0.008163 -0.005631 -0.000814
C 0.1634 8.40269 24.76938 -0.000365 -0.016818 -0.00084
C 2.00082 11.35823 29.77546 0.001765 -0.000165 -0.000798
C 6.0252 12.51681 25.30365 -0.014351 -0.004836 0.000639
C 6.86152 1.45934 25.14648 0.003658 -0.011329 -0.005422
C 7.64347 2.55997 25.30339 0.014123 0.004751 0.005174
C 3.68232 2.55303 29.93945 0.005195 -0.004329 8.4e-05
C 7.40401 3.71854 24.49671 0.009726 0.002383 -0.008309
C 5.03952 2.99539 30.19896 0.017722 -0.004004 -0.000697
C 8.26303 2.93458 26.62203 0.000693 -0.000418 -0.004897
C 7.20589 4.40723 28.99415 -0.001082 -0.000811 -0.001176
C 6.77185 1.25056 27.63384 -0.002879 -0.003131 -0.005332
C 3.45938 1.45137 29.09858 0.010417 -0.001627 -0.00027
C 5.86269 1.17847 28.76197 0.007598 0.003386 0.001461
C 3.6823 4.88384 29.93946 0.004749 0.004351 9.9e-05
C 7.58657 2.32009 27.77422 -0.006167 0.006198 0.002733
C 6.11595 2.30432 29.61602 0.007442 0.006937 -0.001034
C 2.48774 1.25049 25.64535 0.009062 -0.012271 -0.002385
C 1.67318 2.32013 25.50401 -0.003218 0.017671 0.00127
C 6.11592 5.13257 29.61599 0.006492 -0.005238 -0.000954
C 3.39695 1.17854 24.51776 -0.013293 -0.01507 0.001872
C 0.99672 2.93457 26.65626 -0.001546 -0.004949 0.000453
C 5.03949 4.4415 30.19896 0.018661 0.005665 -0.000695
C 7.20593 3.02965 28.99425 -0.000489 0.001034 -0.001714
C 6.50204 0.59159 26.32684 0.010314 -0.006555 0.003748
C 5.04987 0.38246 26.11617 -0.007286 0.00447 0.001408
C 2.39815 1.45927 28.13279 0.004732 -0.004371 0.000756
C 3.45936 5.98554 29.09865 0.009258 0.002415 -0.00104
C 2.75748 0.59149 26.9522 -0.008541 -0.005121 0.001635
C 4.57288 0.76268 28.50983 -0.000582 0.002592 -0.001078
C 4.20966 0.38235 27.16281 0.006965 0.004039 -0.000742
C 4.57286 6.6742 28.50987 -0.001006 -0.003013 -0.00062
C 6.41039 3.7186 23.50297 0.020065 0.002898 0.001938
C 1.6163 2.55995 27.97499 -0.007141 0.005493 -0.00174
C 6.80709 9.09912 25.14657 -0.00897 -0.006531 -0.001582
C 6.02514 10.19976 25.30371 -0.011262 -0.002616 0.001297
C 1.16783 10.19281 29.93942 -0.005334 -0.004594 0.000145
C 6.2646 11.35832 24.497 -0.01344 0.001832 -0.002477
C 8.62909 10.63518 30.19901 -0.017225 -0.003375 -0.000455
C 5.40558 10.57437 26.62217 -0.001879 -0.001135 -0.003126
C 6.46273 12.04702 28.99429 0.001156 -0.001083 -0.0008
C 6.89677 8.89034 27.63389 0.002522 -0.003818 -0.003753
C 1.39077 9.09115 29.09854 -0.010168 -0.001349 -0.000275
C 7.80592 8.81826 28.76203 -0.007828 0.00309 0.001172
C 1.16786 12.52363 29.9395 -0.004705 0.003921 0.000286
C 6.08205 9.95988 27.77434 0.005417 0.00566 0.002158
C 7.55267 9.94411 29.61606 -0.006046 0.005863 -0.000943
C 2.36241 8.89028 25.64515 -0.013167 -0.017269 0.001085
C 3.17698 9.95992 25.50396 0.005179 0.022693 -0.000409
C 7.55269 12.77236 29.61611 -0.006547 -0.004486 -0.000795
C 1.45321 8.81833 24.51769 0.013485 -0.015512 -0.000252
C 3.85344 10.57436 26.65625 0.000829 -0.005096 0.001303
C 8.62913 12.08129 30.19905 -0.017708 0.0042 -0.0004
C 6.46269 10.66944 28.99433 0.000534 0.001172 -0.001432
C 7.16658 8.23138 26.32691 -0.009283 -0.006038 0.00109
C 8.61875 8.02224 26.11613 0.008892 0.005639 0.001026
C 2.45201 9.09905 28.13273 -0.004889 -0.004233 0.001286
C 1.3908 13.62533 29.0987 -0.008715 0.002227 -0.000695
C 2.09267 8.23128 26.95215 0.00857 -0.004559 -0.000584
C 0.27727 8.40247 28.50976 0.000527 0.003565 -0.00065
C 0.64049 8.02214 27.16278 -0.007217 0.00321 -0.000579
C 0.2773 14.31399 28.50996 0.000931 -0.003189 -0.000697
C 7.25823 11.35839 23.50407 -0.011755 0.003938 -0.000233
C 3.23386 10.19974 27.97496 0.006883 0.005745 -0.001784
C 2.39812 5.9777 28.13278 0.005158 0.003304 0.001874
C 1.61633 4.87696 27.97497 -0.008472 -0.005617 -0.002964
C 5.57742 4.88403 23.34176 -0.008777 -0.007625 -0.001619
C 1.85576 3.71846 28.78119 0.003277 0.000248 0.003365
C 4.22023 4.4417 23.08674 0.018009 -0.058025 -0.000385
C 0.99673 4.50232 26.65617 -0.00183 0.004345 0.003203
C 2.05382 3.02974 24.28414 -0.022427 -0.02043 -9.8e-05
C 2.48785 6.1864 25.6453 0.008845 0.013242 0.001467
C 5.80031 5.98568 24.18074 0.00463 0.011593 0.002119
C 3.39697 6.25855 24.51772 -0.006903 0.01594 -1.3e-05
C 5.57738 2.55321 23.34209 -0.025525 0.018022 -0.001567
C 1.67322 5.11681 25.50402 -0.003642 -0.017486 -0.001982
C 3.14376 5.13276 23.6641 -0.039735 0.010299 -0.000167
C 6.77186 6.18645 27.63381 -0.003432 0.000925 -0.003057
C 7.58654 5.11685 27.7742 -0.005245 -0.006885 0.000795
C 3.14376 2.30441 23.66447 -0.033328 -0.004439 -0.000212
C 5.86268 6.25844 28.76204 0.009253 -0.003299 0.000141
C 8.26303 4.50237 26.62193 -6.5e-05 0.001659 -0.003492
C 4.22021 2.99555 23.08715 0.026209 0.046574 -0.00033
C 2.05386 4.40733 24.28407 -0.015348 0.017516 0.000855
C 2.75749 6.84548 26.95226 -0.007443 0.002778 -0.001711
C 4.20965 7.05466 27.16295 0.007105 -0.002122 -2e-06
C 6.86151 5.97772 25.14629 -0.005512 0.018362 -0.00461
C 5.80026 1.45158 24.18079 0.002263 -0.019389 0.002806
C 6.50205 6.84544 26.32685 0.010012 0.005485 0.001569
C 4.68676 6.67429 24.76958 -0.009305 0.014983 -0.00212
C 5.04987 7.05457 26.11629 -0.008106 -0.005855 0.0002
C 4.68675 0.76291 24.76947 -0.002225 -0.01233 -0.003058
C 2.84933 3.71844 29.77548 -0.002026 0.000107 -0.001025
C 7.64341 4.87702 25.30323 0.019167 -0.014377 0.004368
168
energy=-1515.04474146 config_type=nep2xyz pbc="T T T" virial="-38.289338621474776 -0.06664887753526083 0.0268697998391367 -0.06664887753526083 -43.59547231834667 0.010260142661579584 0.0268697998391367 0.010260142661579584 -4.942487329095913" 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 19.98842 -0.004133 0.010217 0.005759
C 1.47141 0.89094 19.98766 0.009358 0.000241 0.004836
C 2.93782 0.89094 19.98306 0.008825 0.017761 0.002125
C 3.67602 2.16424 19.9725 -0.006233 -0.005483 -0.00381
C 0.73321 4.71084 19.98723 -0.010722 -0.001386 0.004645
C 1.47141 3.43754 19.98453 0.013366 -0.004247 0.002456
C 2.93782 3.43754 19.9728 0.000101 0.004389 -0.004132
C 3.67602 4.71084 19.96856 -0.015108 0.002871 -0.005642
C 0.73321 7.25743 19.98676 0.001343 0.005925 0.003887
C 1.47141 5.98413 19.98655 0.015689 -0.004219 0.004171
C 2.93782 5.98413 19.98029 0.004846 -0.011346 0.000669
C 3.67602 7.25743 19.98645 -0.01306 -0.004561 0.003833
C 0.73321 9.80403 19.96688 0.01344 -0.006085 -0.007226
C 1.47141 8.53073 19.98079 -0.010449 0.020115 -0.000141
C 2.93782 8.53073 19.98688 0.000454 -0.0043 0.003399
C 3.67602 9.80403 19.98718 -0.002308 0.001037 0.003572
C 0.73321 12.35062 19.96256 0.007976 0.01817 -0.009139
C 1.47141 11.07732 19.9626 0.013622 -0.012255 -0.008955
C 2.93782 11.07732 19.97901 -0.022589 0.00221 -0.001673
C 3.67602 12.35062 19.98583 -0.001344 -0.002233 0.002431
C 0.73321 14.89722 19.98528 0.002914 -0.010776 0.002848
C 1.47141 13.62392 19.97587 -0.004811 -0.016614 -0.002471
C 2.93782 13.62392 19.98419 -0.006889 0.013537 0.001903
C 3.67602 14.89722 19.98679 -0.013913 -0.011596 0.004416
C 5.14244 2.16424 19.97077 0.001068 0.007858 -0.004403
C 5.88064 0.89094 19.98255 -0.005212 0.009765 0.002344
C 7.34705 0.89094 19.98737 -0.002844 0.002637 0.005135
C 8.08525 2.16424 19.98714 0.002269 0.000903 0.004938
C 5.14244 4.71084 19.96655 0.007422 -0.006543 -0.006557
C 5.88064 3.43754 19.96845 -0.00207 0.000821 -0.005843
C 7.34705 3.43754 19.98096 -0.015166 0.004821 0.0007
C 8.08525 4.71084 19.98558 0.006272 -0.003437 0.003687
C 5.14244 7.25743 19.98628 0.003729 -0.003833 0.004133
C 5.88064 5.98413 19.97857 0.004674 -0.010852 -0.000232
C 7.34705 5.98413 19.98499 -0.008271 0.003955 0.003392
C 8.08525 7.25743 19.98681 -0.007276 -0.006194 0.004175
C 5.14244 9.80403 19.98883 -0.000459 0.010459 0.005692
C 5.88064 8.53073 19.98831 -0.000842 -0.003202 0.005683
C 7.34705 8.53073 19.98334 0.014446 0.0179 0.001949
C 8.08525 9.80403 19.97168 -0.001622 -0.011845 -0.005344
C 5.14244 12.35062 19.9882 -0.001085 -0.00236 0.00501
C 5.88064 11.07732 19.98474 0.012178 -0.004131 0.002546
C 7.34705 11.07732 19.97312 -0.00169 0.004704 -0.005043
C 8.08525 12.35062 19.9686 -0.002228 -0.002572 -0.007028
C 5.14244 14.89722 19.98767 0.00258 0.005868 0.005515
C 5.88064 13.62392 19.98786 0.005643 -0.004487 0.005189
C 7.34705 13.62392 19.98173 0.009737 -0.007768 0.000752
C 8.08525 14.89722 19.98656 -0.006512 -0.007759 0.003864
C 2.6725 13.61749 28.13288 -0.00362 0.003672 -0.001098
C 3.45428 12.51675 27.97491 0.006309 -0.00572 0.001937
C 8.31166 12.52382 23.34291 0.013223 -0.0119 -0.000564
C 3.21485 11.35825 28.78122 -0.001288 -0.000544 -0.001196
C 0.85039 12.08148 23.08857 -0.030031 -0.050745 -0.000248
C 4.07389 12.14211 26.65628 0.00106 0.004768 -0.001656
C 3.0168 10.66953 24.28438 0.027983 -0.005804 9.5e-05
C 2.58277 13.82619 25.64536 -0.013302 0.017747 -0.003091
C 8.08877 13.62547 24.18125 -0.003385 0.019956 0.000149
C 1.67364 13.89834 24.51788 0.006944 0.025844 0.001679
C 8.3117 10.193 23.34227 0.018054 0.020993 -0.000672
C 3.39739 12.7566 25.504 0.007852 -0.023365 0.002596
C 1.92685 12.77254 23.66417 0.043544 0.013936 1.2e-05
C 7.11722 13.82623 27.634 0.002616 0.001617 -0.000582
C 6.30253 12.75663 27.77443 0.004509 -0.005819 -0.000746
C 1.92686 9.9442 23.66403 0.046641 -0.020638 -8.1e-05
C 8.0264 13.89822 28.76223 -0.009692 -0.003423 -0.000356
C 5.62605 12.14216 26.62214 -0.001318 0.001909 -0.000136
C 0.85041 10.63534 23.08818 -0.033597 0.053184 -0.000268
C 3.01676 12.04711 24.28453 0.025268 0.001715 -0.000244
C 2.31312 14.48526 26.95226 0.007236 0.002411 0.003318
C 0.86096 14.69445 27.1631 -0.007408 -0.001721 -0.002025
C 7.02757 13.61751 25.14676 -0.006758 0.012589 -0.000905
C 8.08881 9.09137 24.18095 0.000588 -0.027304 -0.00022
C 7.38703 14.48522 26.32712 -0.009337 0.005675 0.00011
C 0.38385 14.31407 24.76973 0.011234 0.019815 -0.001062
C 0.02075 14.69436 26.11643 0.009224 -0.005394 0.001593
C 0.38386 8.40269 24.7693 -0.000212 -0.01994 0.000456
C 2.22128 11.35823 29.77541 0.000604 -0.000212 0.000783
C 6.24566 12.51681 25.30378 -0.012549 -0.000749 -0.000554
C 7.08198 1.45934 25.14628 0.004169 -0.015306 0.00203
C 7.86393 2.55997 25.30336 0.011691 0.009209 -0.004329
C 3.90278 2.55303 29.93944 0.005421 -0.004456 -0.000103
C 7.62447 3.71854 24.49641 0.01782 0.00204 0.003075
C 5.25998 2.99539 30.19891 0.017841 -0.003945 -0.000717
C 8.48349 2.93458 26.62183 -5.9e-05 -0.000824 0.001969
C 7.42635 4.40723 28.99405 -0.001305 -0.000694 -0.000851
C 6.99231 1.25056 27.63367 -0.003338 -0.000302 0.002371
C 3.67984 1.45137 29.09857 0.010981 -0.001856 -0.000194
C 6.08315 1.17847 28.76196 0.008192 0.002594 -0.002018
C 3.90276 4.88384 29.93942 0.004912 0.004945 -0.000364
C 7.80703 2.32009 27.77422 -0.004899 0.005928 -0.003599
C 6.33641 2.30432 29.61594 0.007894 0.007387 -0.000624
C 2.7082 1.25049 25.64529 0.006518 -0.012179 0.003373
C 1.89364 2.32013 25.50404 -0.001656 0.016553 -0.001393
C 6.33638 5.13257 29.61589 0.00648 -0.005487 -0.000884
C 3.61741 1.17854 24.51778 -0.011461 -0.014087 -0.001778
C 1.21718 2.93457 26.65623 -0.001876 -0.005064 0.000305
C 5.25995 4.4415 30.19889 0.0189 0.005948 -0.00086
C 7.42639 3.02965 28.99415 -0.001192 0.001345 -0.000206
C 6.7225 0.59159 26.32687 0.010258 -0.006445 -0.002621
C 5.27033 0.38246 26.11625 -0.004789 0.005122 -0.0079
C 2.61861 1.45927 28.13279 0.004365 -0.00422 0.000337
C 3.67982 5.98554 29.09857 0.010131 0.002066 0.000116
C 2.97794 0.59149 26.95226 -0.008771 -0.004744 -0.003504
C 4.79334 0.76268 28.50981 -0.000576 0.002463 -0.001712
C 4.43012 0.38235 27.1627 0.004162 0.004968 0.007241
C 4.79332 6.6742 28.5098 -0.001138 -0.002741 -0.001809
C 6.63085 3.7186 23.50268 0.013605 0.002012 -0.002463
C 1.83676 2.55995 27.97494 -0.00711 0.00564 0.000498
C 7.02756 9.09912 25.14655 -0.010339 -0.006204 -0.000568
C 6.2456 10.19976 25.30379 -0.01027 -0.004468 -0.001115
C 1.38829 10.19281 29.93937 -0.005613 -0.004938 1.2e-05
C 6.48506 11.35832 24.49711 -0.018379 0.001046 -0.00051
C 0.03109 10.63518 30.19901 -0.017046 -0.003016 -0.000476
C 5.62604 10.57437 26.62213 -0.002006 -0.001953 0.00095
C 6.68319 12.04702 28.9943 0.001229 -0.001244 -0.000504
C 7.11723 8.89034 27.63382 0.002702 -0.003022 0.000184
C 1.61124 9.09115 29.09849 -0.010475 -0.001172 0.000206
C 8.02639 8.81826 28.76204 -0.008331 0.0025 -0.000904
C 1.38832 12.52363 29.93949 -0.00477 0.004083 2e-05
C 6.30251 9.95988 27.77439 0.004312 0.005078 -0.002009
C 7.77313 9.94411 29.61603 -0.005305 0.005582 -0.000427
C 2.58288 8.89028 25.64505 -0.015187 -0.018428 -0.000969
C 3.39744 9.95992 25.50386 0.006375 0.024642 0.001231
C 7.77315 12.77236 29.61612 -0.006496 -0.004272 -0.000412
C 1.67367 8.81833 24.51757 0.012605 -0.017421 0.000635
C 4.0739 10.57436 26.65623 0.000419 -0.005456 -0.000655
C 0.03113 12.08129 30.19907 -0.017279 0.003368 -0.00038
C 6.68315 10.66944 28.9943 0.001078 0.001642 -0.000192
C 7.38704 8.23138 26.32688 -0.008911 -0.005632 -0.000229
C 0.02075 8.02224 26.11612 0.008553 0.00684 -0.003974
C 2.67247 9.09905 28.1327 -0.004398 -0.00442 -0.000486
C 1.61126 13.62533 29.09868 -0.008949 0.001764 0.000631
C 2.31313 8.23128 26.95207 0.008308 -0.004159 0.000398
C 0.49773 8.40247 28.50969 0.000856 0.003864 -0.001143
C 0.86095 8.02214 27.16269 -0.006078 0.00316 0.003634
C 0.49776 14.31399 28.50995 0.001053 -0.003547 0.000234
C 7.47869 11.35839 23.50449 -0.004026 0.003873 -0.000585
C 3.45432 10.19974 27.97488 0.005876 0.005971 0.001394
C 2.61858 5.9777 28.13276 0.004569 0.003719 -0.00076
C 1.8368 4.87696 27.97487 -0.007566 -0.006084 0.001176
C 5.79788 4.88403 23.3414 -0.007907 -0.007514 -0.000503
C 2.07623 3.71846 28.78123 0.001314 0.000675 -0.001201
C 4.44069 4.4417 23.08639 0.015223 -0.057572 -0.000431
C 1.21719 4.50232 26.65618 -0.00165 0.004896 -0.00137
C 2.27428 3.02974 24.28406 -0.023396 -0.019918 0.000459
C 2.70831 6.1864 25.64526 0.007491 0.011477 0.000334
C 6.02077 5.98568 24.18062 0.002964 0.008777 -0.002308
C 3.61743 6.25855 24.51761 -0.007172 0.012526 -0.000755
C 5.79784 2.55321 23.34202 -0.025598 0.016185 -0.000305
C 1.89368 5.11681 25.50394 -0.003057 -0.016152 0.000596
C 3.36423 5.13276 23.66398 -0.037895 0.012051 -8.9e-05
C 6.99232 6.18645 27.63365 -0.003812 -0.000594 0.000266
C 7.807 5.11685 27.77412 -0.004887 -0.007105 -0.001932
C 3.36422 2.30441 23.66446 -0.029166 -0.002392 9.2e-05
C 6.08314 6.25844 28.76195 0.0095 -0.003057 -0.001196
C 8.48349 4.50237 26.62176 -0.000502 0.001988 0.000524
C 4.44067 2.99555 23.08702 0.022871 0.043344 -0.000275
C 2.27432 4.40733 24.28395 -0.015283 0.017648 -0.000317
C 2.97795 6.84548 26.95218 -0.007437 0.003069 -0.000938
C 4.43011 7.05466 27.16281 0.005764 -0.002804 0.004279
C 7.08197 5.97772 25.14601 -0.005621 0.020955 0.001113
C 6.02072 1.45158 24.1808 0.001397 -0.014697 -0.002449
C 6.72251 6.84544 26.32677 0.009706 0.004902 -0.001773
C 4.90723 6.67429 24.76941 -0.007224 0.01655 0.001245
C 5.27033 7.05457 26.11624 -0.006941 -0.006566 -0.005295
C 4.90722 0.76291 24.76938 -0.002712 -0.014786 0.002776
C 3.06979 3.71844 29.77543 -0.000954 0.000343 0.000464
C 7.86387 4.87702 25.30316 0.017793 -0.018437 -0.003846
168
energy=-1515.0460723 config_type=nep2xyz pbc="T T T" virial="-38.2544373165194 -0.09448582196954643 0.027836944434285596 -0.09448582196954643 -43.56372474576679 0.008746351121346531 0.027836944434285596 0.008746351121346531 -4.979322923241584" 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 -0.005267 0.012436 0.006238
C 1.47141 0.89094 19.98803 0.008326 -0.000689 0.005632
C 2.93782 0.89094 19.98395 0.010026 0.01834 0.002985
C 3.67602 2.16424 19.9742 -0.002985 -0.008273 -0.002807
C 0.73321 4.71084 19.98737 -0.012324 -0.001195 0.005179
C 1.47141 3.43754 19.98573 0.007699 -0.005481 0.003647
C 2.93782 3.43754 19.97583 0.005483 0.007015 -0.002701
C 3.67602 4.71084 19.97067 -0.012269 0.000414 -0.004513
C 0.73321 7.25743 19.987 0.000667 0.008385 0.004222
C 1.47141 5.98413 19.98731 0.014069 -0.006449 0.005036
C 2.93782 5.98413 19.98197 0.006101 -0.010542 0.001796
C 3.67602 7.25743 19.98694 -0.014617 -0.002136 0.004277
C 0.73321 9.80403 19.96668 0.01048 -0.006653 -0.007386
C 1.47141 8.53073 19.98083 -0.010332 0.018597 -7.8e-05
C 2.93782 8.53073 19.98676 0.003635 -0.004696 0.003376
C 3.67602 9.80403 19.98638 -0.004138 0.002407 0.003135
C 0.73321 12.35062 19.96248 0.003761 0.01971 -0.009209
C 1.47141 11.07732 19.96155 0.012278 -0.013778 -0.009458
C 2.93782 11.07732 19.9773 -0.015419 0.003253 -0.002432
C 3.67602 12.35062 19.98497 -0.004157 -0.005814 0.00185
C 0.73321 14.89722 19.98539 0.002653 -0.010269 0.003081
C 1.47141 13.62392 19.97569 -0.004601 -0.016899 -0.002499
C 2.93782 13.62392 19.98369 -0.004358 0.01669 0.001671
C 3.67602 14.89722 19.98686 -0.015491 -0.01515 0.004671
C 5.14244 2.16424 19.97053 0.000979 0.01013 -0.004349
C 5.88064 0.89094 19.98228 -0.004808 0.008017 0.002202
C 7.34705 0.89094 19.9869 -0.001412 0.00577 0.004728
C 8.08525 2.16424 19.98616 0.001637 -0.003136 0.004424
C 5.14244 4.71084 19.96624 0.005867 -0.00271 -0.006543
C 5.88064 3.43754 19.96659 0.003479 -0.002593 -0.006486
C 7.34705 3.43754 19.97911 -0.01788 0.006095 -0.000396
C 8.08525 4.71084 19.98425 0.007158 -0.001813 0.00289
C 5.14244 7.25743 19.98619 0.00475 -0.00499 0.004119
C 5.88064 5.98413 19.97763 0.004239 -0.009363 -0.000674
C 7.34705 5.98413 19.98391 -0.006569 0.005341 0.002534
C 8.08525 7.25743 19.98665 -0.008908 -0.009084 0.004007
C 5.14244 9.80403 19.98865 -0.001495 0.010098 0.005695
C 5.88064 8.53073 19.98833 -0.002724 -0.00349 0.005635
C 7.34705 8.53073 19.98372 0.016148 0.018801 0.002027
C 8.08525 9.80403 19.97255 -0.001459 -0.01403 -0.00509
C 5.14244 12.35062 19.98813 -0.000931 0.000426 0.004922
C 5.88064 11.07732 19.98506 0.014679 -0.005243 0.002893
C 7.34705 11.07732 19.97427 -0.006754 0.003927 -0.004527
C 8.08525 12.35062 19.96991 0.000497 -0.002131 -0.006457
C 5.14244 14.89722 19.98777 0.00241 0.008103 0.005718
C 5.88064 13.62392 19.98818 0.003049 -0.006815 0.005431
C 7.34705 13.62392 19.98256 0.012145 -0.005095 0.001196
C 8.08525 14.89722 19.98676 -0.007436 -0.008753 0.004019
C 2.89296 13.61749 28.13286 -0.003485 0.003773 -0.001028
C 3.67474 12.51675 27.97488 0.006286 -0.005583 0.00177
C 8.53212 12.52382 23.34321 0.01673 -0.01622 -0.000509
C 3.43531 11.35825 28.78117 -0.001293 -0.000823 -0.001243
C 1.07085 12.08148 23.08918 -0.03269 -0.050327 -0.000246
C 4.29435 12.14211 26.65624 0.000932 0.00507 -0.001175
C 3.23726 10.66953 24.28437 0.030855 3.6e-05 -0.000119
C 2.80323 13.82619 25.64534 -0.013677 0.018844 -0.002803
C 8.30923 13.62547 24.18132 -0.004289 0.023776 7.5e-05
C 1.89411 13.89834 24.51789 0.006562 0.028854 0.001595
C 8.53216 10.193 23.34233 0.0163 0.023178 -0.000703
C 3.61785 12.7566 25.50398 0.008249 -0.024307 0.002233
C 2.14731 12.77254 23.66415 0.041769 0.015846 4.6e-05
C 7.33768 13.82623 27.634 0.002488 0.001819 -0.000467
C 6.52299 12.75663 27.77443 0.0044 -0.005582 -0.000732
C 2.14732 9.9442 23.66382 0.047857 -0.025679 -0.000156
C 8.24686 13.89822 28.76224 -0.009773 -0.003741 -0.000332
C 5.84651 12.14216 26.62214 -0.001387 0.002075 -0.000269
C 1.07087 10.63534 23.08854 -0.03376 0.057786 -0.000309
C 3.23722 12.04711 24.28456 0.030632 -0.003679 -0.000113
C 2.53358 14.48526 26.95224 0.007119 0.002292 0.003241
C 1.08142 14.69445 27.1631 -0.007718 -0.001964 -0.002694
C 7.24803 13.61751 25.14682 -0.009194 0.012365 -0.000766
C 8.30927 9.09137 24.18093 -0.000654 -0.029587 -0.000322
C 7.60749 14.48522 26.32713 -0.009146 0.005421 -0.000136
C 0.60431 14.31407 24.76973 0.011862 0.021193 -0.001212
C 0.24121 14.69436 26.11641 0.009596 -0.005299 0.00244
C 0.60432 8.40269 24.76924 0.001372 -0.022055 4.7e-05
C 2.44174 11.35823 29.77536 0.000557 -0.000302 0.000772
C 6.46612 12.51681 25.30381 -0.011589 0.001258 -0.000593
C 7.30244 1.45934 25.14622 0.00314 -0.017585 0.001722
C 8.08439 2.55997 25.30327 0.012037 0.010883 -0.00404
C 4.12324 2.55303 29.93942 0.005476 -0.004478 -0.00017
C 7.84494 3.71854 24.49635 0.02132 0.001492 0.002581
C 5.48045 2.99539 30.19889 0.017864 -0.003728 -0.000789
C 8.70396 2.93458 26.62178 -0.00027 -0.001016 0.001696
C 7.64681 4.40723 28.994 -0.001364 -0.000758 -0.001053
C 7.21277 1.25056 27.63363 -0.003506 -0.000232 0.002091
C 3.9003 1.45137 29.09855 0.011074 -0.001963 -0.000232
C 6.30361 1.17847 28.76193 0.008414 0.002816 -0.001963
C 4.12322 4.88384 29.93938 0.00499 0.005138 -0.000415
C 8.02749 2.32009 27.77417 -0.005121 0.005909 -0.003505
C 6.55687 2.30432 29.61591 0.008113 0.007286 -0.000732
C 2.92866 1.25049 25.64529 0.005496 -0.01173 0.003182
C 2.1141 2.32013 25.50405 -0.00112 0.015683 -0.001384
C 6.55685 5.13257 29.61584 0.00634 -0.005403 -0.00097
C 3.83787 1.17854 24.51773 -0.01054 -0.014512 -0.001729
C 1.43764 2.93457 26.65622 -0.002155 -0.005265 8.2e-05
C 5.48041 4.4415 30.19885 0.019092 0.005954 -0.00092
C 7.64685 3.02965 28.99412 -0.001261 0.001299 -0.000369
C 6.94296 0.59159 26.32684 0.010171 -0.006134 -0.002674
C 5.49079 0.38246 26.1162 -0.005525 0.005179 -0.006277
C 2.83907 1.45927 28.13277 0.004277 -0.00432 0.000335
C 3.90028 5.98554 29.09852 0.010337 0.002222 -0.000164
C 3.1984 0.59149 26.95224 -0.008256 -0.004496 -0.003252
C 5.0138 0.76268 28.50978 -0.000566 0.002659 -0.001444
C 4.65059 0.38235 27.16269 0.004809 0.004929 0.005628
C 5.01378 6.6742 28.50973 -0.001145 -0.002989 -0.002158
C 6.85131 3.7186 23.5026 0.007349 0.001057 -0.002412
C 2.05722 2.55995 27.97493 -0.007387 0.005463 0.000315
C 7.24802 9.09912 25.14648 -0.010141 -0.007182 -0.000475
C 6.46607 10.19976 25.30375 -0.010839 -0.003877 -0.001277
C 1.60876 10.19281 29.93932 -0.005671 -0.00504 -5.4e-05
C 6.70553 11.35832 24.49717 -0.023471 0.000147 -0.000363
C 0.25155 10.63518 30.199 -0.017012 -0.002696 -0.000537
C 5.84651 10.57437 26.6221 -0.002052 -0.002508 0.001162
C 6.90365 12.04702 28.9943 0.001335 -0.001423 -0.000477
C 7.33769 8.89034 27.63378 0.002775 -0.003261 7.3e-05
C 1.8317 9.09115 29.09843 -0.010404 -0.00107 0.000243
C 8.24685 8.81826 28.76201 -0.008646 0.002638 -0.000939
C 1.60878 12.52363 29.93947 -0.004712 0.003911 1.1e-05
C 6.52297 9.95988 27.77435 0.004175 0.004987 -0.002049
C 7.99359 9.94411 29.61598 -0.004746 0.00501 -0.000494
C 2.80334 8.89028 25.64496 -0.016422 -0.019297 -0.002051
C 3.6179 9.95992 25.50376 0.007481 0.025498 0.002026
C 7.99361 12.77236 29.61612 -0.006619 -0.00395 -0.000432
C 1.89413 8.81833 24.51746 0.011188 -0.019843 0.001025
C 4.29436 10.57436 26.65618 0.000163 -0.005909 -0.001509
C 0.25159 12.08129 30.19908 -0.017005 0.002661 -0.000376
C 6.90361 10.66944 28.99426 0.001115 0.00182 -0.000223
C 7.6075 8.23138 26.32683 -0.008617 -0.005047 -0.000543
C 0.24121 8.02224 26.11604 0.009604 0.007533 -0.002967
C 2.89293 9.09905 28.13264 -0.004324 -0.004485 -0.000852
C 1.83172 13.62533 29.09866 -0.008766 0.001741 0.000674
C 2.5336 8.23128 26.95198 0.007725 -0.003604 0.001369
C 0.7182 8.40247 28.50962 0.001113 0.004156 -0.000952
C 1.08141 8.02214 27.16265 -0.00668 0.002832 0.002359
C 0.71822 14.31399 28.50993 0.001081 -0.003648 0.000404
C 7.69915 11.35839 23.50466 0.002723 0.003446 -0.000635
C 3.67478 10.19974 27.97481 0.005709 0.005934 0.001703
C 2.83904 5.9777 28.13271 0.004783 0.003984 -0.000492
C 2.05726 4.87696 27.97485 -0.007923 -0.006059 0.000716
C 6.01834 4.88403 23.34115 -0.006955 -0.008868 -0.000706
C 2.29669 3.71846 28.7812 0.001414 0.000856 -0.000973
C 4.66115 4.4417 23.08629 0.013231 -0.054669 -0.000509
C 1.43765 4.50232 26.65614 -0.001842 0.005136 -0.000988
C 2.49474 3.02974 24.28407 -0.025024 -0.01597 0.000381
C 2.92877 6.1864 25.6452 0.006683 0.011295 0.000947
C 6.24123 5.98568 24.1805 0.001611 0.00935 -0.002183
C 3.83789 6.25855 24.5175 -0.007963 0.009747 -0.001071
C 6.0183 2.55321 23.34198 -0.023901 0.014953 -0.000389
C 2.11415 5.11681 25.50392 -0.001897 -0.015709 1.4e-05
C 3.58469 5.13276 23.66389 -0.036394 0.014832 -0.000195
C 7.21278 6.18645 27.63359 -0.003992 -0.000601 5e-06
C 8.02747 5.11685 27.77406 -0.00512 -0.007035 -0.001858
C 3.58468 2.30441 23.66442 -0.026196 -0.002254 6.6e-05
C 6.3036 6.25844 28.76189 0.009382 -0.003032 -0.001292
C 8.70395 4.50237 26.6217 -0.000585 0.002197 3.8e-05
C 4.66113 2.99555 23.08708 0.019852 0.039547 -0.000338
C 2.49478 4.40733 24.28393 -0.017341 0.014918 -0.000257
C 3.19842 6.84548 26.95213 -0.007387 0.003301 -0.001934
C 4.65058 7.05466 27.16272 0.005874 -0.003148 0.005407
C 7.30243 5.97772 25.14591 -0.006203 0.021718 0.000899
C 6.24119 1.45158 24.18077 0.001256 -0.013107 -0.00232
C 6.94297 6.84544 26.32668 0.009373 0.004293 -0.001526
C 5.12769 6.67429 24.76928 -0.004109 0.017978 0.001425
C 5.49079 7.05457 26.11616 -0.007157 -0.007078 -0.006589
C 5.12768 0.76291 24.76935 -0.00329 -0.016165 0.002195
C 3.29026 3.71844 29.77541 -0.000997 0.000444 0.0003
C 8.08434 4.87702 25.30308 0.017881 -0.018818 -0.003516
168
energy=-1515.04708709 config_type=nep2xyz pbc="T T T" virial="-38.23009050258066 -0.11357641528248548 0.022664823338489327 -0.11357641528248548 -43.52402976760068 0.007526907936158794 0.022664823338489327 0.007526907936158794 -5.005519926840617" 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 19.98856 -0.0066 0.01293 0.006396
C 1.47141 0.89094 19.98839 0.006321 -0.001936 0.006176
C 2.93782 0.89094 19.98477 0.011446 0.019524 0.003749
C 3.67602 2.16424 19.9757 0.000701 -0.011329 -0.001877
C 0.73321 4.71084 19.98742 -0.013544 8.5e-05 0.005373
C 1.47141 3.43754 19.98671 0.003933 -0.006265 0.00435
C 2.93782 3.43754 19.97841 0.008729 0.007938 -0.001391
C 3.67602 4.71084 19.97265 -0.007158 -0.000634 -0.003367
C 0.73321 7.25743 19.9873 0.000781 0.009824 0.004511
C 1.47141 5.98413 19.98802 0.011029 -0.007546 0.005769
C 2.93782 5.98413 19.98353 0.007511 -0.009463 0.002887
C 3.67602 7.25743 19.98733 -0.0143 1e-06 0.004595
C 0.73321 9.80403 19.96711 0.00557 -0.005611 -0.006964
C 1.47141 8.53073 19.98107 -0.008904 0.015653 0.000144
C 2.93782 8.53073 19.98651 0.005638 -0.003611 0.00331
C 3.67602 9.80403 19.98514 -0.004818 0.004902 0.002403
C 0.73321 12.35062 19.96311 -0.000346 0.018346 -0.00883
C 1.47141 11.07732 19.96107 0.00961 -0.013369 -0.009629
C 2.93782 11.07732 19.97524 -0.005756 0.003445 -0.003312
C 3.67602 12.35062 19.98369 -0.005986 -0.010289 0.001052
C 0.73321 14.89722 19.98562 0.002819 -0.009275 0.003592
C 1.47141 13.62392 19.97583 -0.003239 -0.016179 -0.002373
C 2.93782 13.62392 19.98309 -0.003088 0.017261 0.001281
C 3.67602 14.89722 19.98687 -0.014843 -0.017192 0.004779
C 5.14244 2.16424 19.97017 0.000744 0.009789 -0.004459
C 5.88064 0.89094 19.98196 -0.005042 0.007579 0.001896
C 7.34705 0.89094 19.98639 0.000267 0.008736 0.004239
C 8.08525 2.16424 19.98504 0.000503 -0.006352 0.003642
C 5.14244 4.71084 19.96586 0.003394 0.00369 -0.006579
C 5.88064 3.43754 19.9646 0.010076 -0.006109 -0.00712
C 7.34705 3.43754 19.97705 -0.020193 0.006815 -0.001721
C 8.08525 4.71084 19.98281 0.007194 -0.000425 0.001867
C 5.14244 7.25743 19.98606 0.005581 -0.006915 0.004024
C 5.88064 5.98413 19.97671 0.001833 -0.008286 -0.00116
C 7.34705 5.98413 19.98279 -0.004784 0.006195 0.00177
C 8.08525 7.25743 19.98655 -0.009741 -0.011689 0.003862
C 5.14244 9.80403 19.98822 -0.003847 0.009106 0.005285
C 5.88064 8.53073 19.98831 -0.003816 -0.003389 0.005485
C 7.34705 8.53073 19.98424 0.01624 0.019095 0.002262
C 8.08525 9.80403 19.97383 -0.000815 -0.014153 -0.004436
C 5.14244 12.35062 19.98778 -0.001886 0.003103 0.004583
C 5.88064 11.07732 19.98527 0.017331 -0.005586 0.002882
C 7.34705 11.07732 19.97568 -0.010791 0.003159 -0.003764
C 8.08525 12.35062 19.97162 0.002885 -0.002645 -0.005509
C 5.14244 14.89722 19.9878 0.001555 0.009374 0.005673
C 5.88064 13.62392 19.98841 0.000756 -0.008983 0.005794
C 7.34705 13.62392 19.9835 0.0125 -0.002931 0.001852
C 8.08525 14.89722 19.98704 -0.007332 -0.008593 0.00438
C 3.11342 13.61749 28.13284 -0.003349 0.003926 -0.001191
C 3.8952 12.51675 27.97485 0.006317 -0.005501 0.002038
C 8.75258 12.52382 23.34335 0.0214 -0.02043 -0.000456
C 3.65577 11.35825 28.78114 -0.001099 -0.001027 -0.00173
C 1.29131 12.08148 23.08968 -0.03374 -0.051965 -0.000245
C 4.51481 12.14211 26.65621 0.001114 0.005321 -0.001243
C 3.45772 10.66953 24.28435 0.032845 0.004069 -0.000362
C 3.02369 13.82619 25.64535 -0.013122 0.018731 -0.00288
C 8.52969 13.62547 24.18132 -0.005564 0.027198 -0.000236
C 2.11457 13.89834 24.51792 0.006696 0.031303 0.001571
C 8.75262 10.193 23.34231 0.015844 0.024651 -0.000677
C 3.83832 12.7566 25.50397 0.008307 -0.023993 0.002274
C 2.36777 12.77254 23.6642 0.037948 0.016573 5.4e-05
C 7.55814 13.82623 27.63396 0.002465 0.0016 0.000157
C 6.74346 12.75663 27.77439 0.004379 -0.0055 -0.001192
C 2.36778 9.9442 23.6637 0.046581 -0.028525 -0.000212
C 8.46732 13.89822 28.76221 -0.009882 -0.00402 -0.000655
C 6.06697 12.14216 26.62209 -0.001165 0.002139 0.000141
C 1.29133 10.63534 23.08884 -0.032641 0.063573 -0.000319
C 3.45768 12.04711 24.28458 0.035064 -0.007153 -0.000136
C 2.75405 14.48526 26.95223 0.007107 0.002411 0.003333
C 1.30189 14.69445 27.16308 -0.007815 -0.002429 -0.002572
C 7.46849 13.61751 25.14679 -0.010117 0.01298 -0.000314
C 8.52974 9.09137 24.18087 -0.002557 -0.03099 -0.000633
C 7.82795 14.48522 26.32711 -0.009093 0.005198 -0.000666
C 0.82477 14.31407 24.7697 0.011871 0.021506 -0.000987
C 0.46167 14.69436 26.1164 0.009434 -0.005203 0.002172
C 0.82478 8.40269 24.76919 0.003353 -0.023282 0.000652
C 2.6622 11.35823 29.77533 0.000417 -0.000351 0.00089
C 6.68659 12.51681 25.30375 -0.011402 0.000997 -0.001266
C 7.5229 1.45934 25.14618 0.002915 -0.018596 0.001615
C 8.30486 2.55997 25.30324 0.012007 0.010736 -0.004023
C 4.34371 2.55303 29.9394 0.005641 -0.004656 -0.000225
C 8.0654 3.71854 24.49634 0.02389 0.000627 0.002285
C 5.70091 2.99539 30.19888 0.017899 -0.003402 -0.000818
C 0.10596 2.93458 26.62176 -0.000254 -0.001314 0.001816
C 7.86727 4.40723 28.99398 -0.001485 -0.000752 -0.001114
C 7.43323 1.25056 27.63361 -0.003718 -0.000264 0.002334
C 4.12076 1.45137 29.09853 0.011246 -0.002041 -0.000243
C 6.52407 1.17847 28.76192 0.008642 0.002806 -0.00211
C 4.34368 4.88384 29.93935 0.005115 0.005412 -0.000467
C 8.24795 2.32009 27.77415 -0.005331 0.00572 -0.003722
C 6.77733 2.30432 29.61589 0.008061 0.007035 -0.000749
C 3.14912 1.25049 25.64527 0.005237 -0.012233 0.003058
C 2.33456 2.32013 25.50409 -0.000959 0.015638 -0.001384
C 6.77731 5.13257 29.61581 0.006121 -0.00519 -0.001036
C 4.05833 1.17854 24.51767 -0.010369 -0.015008 -0.001621
C 1.6581 2.93457 26.65623 -0.002439 -0.00538 7.4e-05
C 5.70087 4.4415 30.19884 0.019196 0.005731 -0.000949
C 7.86731 3.02965 28.9941 -0.00135 0.001342 -0.000357
C 7.16342 0.59159 26.32681 0.009861 -0.005776 -0.003088
C 5.71125 0.38246 26.11613 -0.006792 0.005426 -0.004187
C 3.05953 1.45927 28.13276 0.00416 -0.004446 0.000325
C 4.12074 5.98554 29.09848 0.010628 0.002312 -0.000206
C 3.41887 0.59149 26.95222 -0.007759 -0.004214 -0.003038
C 5.23427 0.76268 28.50974 -0.000503 0.003117 -0.001044
C 4.87105 0.38235 27.16268 0.005812 0.004652 0.003784
C 5.23424 6.6742 28.50967 -0.000982 -0.003484 -0.00198
C 7.07177 3.7186 23.50275 0.00077 0.000202 -0.002343
C 2.27768 2.55995 27.97494 -0.007686 0.005345 0.000328
C 7.46848 9.09912 25.14634 -0.008378 -0.009382 -0.000101
C 6.68653 10.19976 25.30364 -0.012164 -0.000791 -0.002016
C 1.82922 10.19281 29.93928 -0.005775 -0.005125 -0.000115
C 6.92599 11.35832 24.49711 -0.027679 -0.000882 0.000399
C 0.47202 10.63518 30.19897 -0.017125 -0.002593 -0.000651
C 6.06697 10.57437 26.62201 -0.001765 -0.002911 0.001655
C 7.12411 12.04702 28.99425 0.00148 -0.001622 -0.0004
C 7.55815 8.89034 27.6337 0.002842 -0.003075 0.000307
C 2.05216 9.09115 29.09839 -0.010543 -0.001081 0.000277
C 8.46731 8.81826 28.76196 -0.008924 0.002884 -0.001034
C 1.82924 12.52363 29.93945 -0.004711 0.003824 -3.3e-05
C 6.74343 9.95988 27.77428 0.004183 0.005022 -0.002382
C 8.21405 9.94411 29.61592 -0.004557 0.004789 -0.000537
C 3.0238 8.89028 25.6449 -0.016471 -0.019221 -0.002442
C 3.83836 9.95992 25.50371 0.008248 0.025052 0.002597
C 8.21408 12.77236 29.61608 -0.006846 -0.003906 -0.000425
C 2.11459 8.81833 24.51739 0.009523 -0.022585 0.001115
C 4.51482 10.57436 26.65614 0.000158 -0.006257 -0.002327
C 0.47205 12.08129 30.19906 -0.016999 0.002288 -0.000421
C 7.12407 10.66944 28.9942 0.001206 0.001997 -0.000205
C 7.82796 8.23138 26.32675 -0.008637 -0.004641 -0.000521
C 0.46167 8.02224 26.11601 0.009303 0.008253 -0.005351
C 3.11339 9.09905 28.1326 -0.004319 -0.004496 -0.00107
C 2.05218 13.62533 29.09864 -0.008847 0.0018 0.000716
C 2.75406 8.23128 26.95194 0.007304 -0.003161 0.001305
C 0.93866 8.40247 28.50957 0.001491 0.003978 -0.001646
C 1.30187 8.02214 27.16258 -0.006271 0.00294 0.004633
C 0.93868 14.31399 28.50991 0.001155 -0.003658 0.000418
C 7.91961 11.35839 23.50451 0.006283 0.00285 -0.000977
C 3.89524 10.19974 27.97477 0.0057 0.005844 0.002119
C 3.0595 5.9777 28.13268 0.004859 0.00428 -0.000433
C 2.27772 4.87696 27.97485 -0.008247 -0.006076 0.000563
C 6.2388 4.88403 23.34094 -0.005975 -0.009548 -0.000753
C 2.51715 3.71846 28.7812 0.001325 0.000948 -0.001034
C 4.88161 4.4417 23.08641 0.012549 -0.049597 -0.000553
C 1.65811 4.50232 26.65615 -0.002115 0.005262 -0.000665
C 2.7152 3.02974 24.2842 -0.026791 -0.009655 0.00038
C 3.14923 6.1864 25.64517 0.006489 0.011915 0.001194
C 6.46169 5.98568 24.18043 -0.000944 0.011257 -0.002204
C 4.05835 6.25855 24.51741 -0.009921 0.00739 -0.001215
C 6.23876 2.55321 23.3419 -0.020666 0.01261 -0.00042
C 2.33461 5.11681 25.50395 -0.001066 -0.016054 -0.00036
C 3.80515 5.13276 23.66388 -0.035158 0.01787 -0.000209
C 7.43324 6.18645 27.63356 -0.0041 -0.000353 -0.000166
C 8.24793 5.11685 27.77403 -0.005394 -0.006845 -0.001669
C 3.80514 2.30441 23.6644 -0.024688 -0.00358 2.4e-05
C 6.52406 6.25844 28.76186 0.009309 -0.003027 -0.00129
C 0.10595 4.50237 26.62169 -0.000381 0.002385 -0.00033
C 4.88159 2.99555 23.08729 0.017773 0.035414 -0.00037
C 2.71524 4.40733 24.28404 -0.020168 0.009874 -0.000212
C 3.41888 6.84548 26.95209 -0.007349 0.003657 -0.002078
C 4.87104 7.05466 27.16266 0.006671 -0.003293 0.004713
C 7.5229 5.97772 25.14587 -0.005218 0.020795 0.000676
C 6.46165 1.45158 24.18076 -9.6e-05 -0.012521 -0.00222
C 7.16343 6.84544 26.32663 0.008827 0.003753 -0.00153
C 5.34815 6.67429 24.76916 0.000656 0.019687 0.001217
C 5.71125 7.05457 26.11608 -0.008155 -0.00742 -0.00593
C 5.34814 0.76291 24.7693 -0.002372 -0.018214 0.001467
C 3.51072 3.71844 29.7754 -0.000892 0.000521 0.000293
C 8.3048 4.87702 25.30307 0.017079 -0.016519 -0.003365
168
energy=-1515.04749218 config_type=nep2xyz pbc="T T T" virial="-38.22029290733415 -0.11912698426334002 0.01337182527205864 -0.11912698426334002 -43.49118890113063 0.0068961614610616884 0.01337182527205864 0.0068961614610616884 -5.0156539202071775" 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 19.98845 -0.008001 0.011797 0.00642
C 1.47141 0.89094 19.98867 0.003715 -0.003163 0.006502
C 2.93782 0.89094 19.98546 0.01297 0.020189 0.004327
C 3.67602 2.16424 19.97699 0.00402 -0.0136 -0.001214
C 0.73321 4.71084 19.98734 -0.013991 0.001802 0.005408
C 1.47141 3.43754 19.98742 0.001831 -0.00608 0.004824
C 2.93782 3.43754 19.9805 0.009546 0.007308 -0.000391
C 3.67602 4.71084 19.97449 -0.000288 -0.001143 -0.002759
C 0.73321 7.25743 19.98763 0.001705 0.010424 0.004989
C 1.47141 5.98413 19.98861 0.007328 -0.007908 0.006457
C 2.93782 5.98413 19.98488 0.008577 -0.00886 0.003621
C 3.67602 7.25743 19.98756 -0.01244 0.001684 0.004733
C 0.73321 9.80403 19.96814 -0.000373 -0.002644 -0.006288
C 1.47141 8.53073 19.98143 -0.006463 0.011585 0.000469
C 2.93782 8.53073 19.98605 0.006407 -0.001376 0.002997
C 3.67602 9.80403 19.98344 -0.004223 0.007905 0.001517
C 0.73321 12.35062 19.96438 -0.003417 0.013882 -0.008101
C 1.47141 11.07732 19.96104 0.005066 -0.011013 -0.009495
C 2.93782 11.07732 19.97287 0.004708 0.003129 -0.00411
C 3.67602 12.35062 19.98194 -0.00612 -0.014331 9.3e-05
C 0.73321 14.89722 19.98591 0.003834 -0.008439 0.003986
C 1.47141 13.62392 19.97618 -0.000937 -0.013951 -0.002045
C 2.93782 13.62392 19.98233 -0.002948 0.015156 0.00085
C 3.67602 14.89722 19.98676 -0.012787 -0.017481 0.004683
C 5.14244 2.16424 19.96978 0.000135 0.006828 -0.004672
C 5.88064 0.89094 19.98162 -0.005637 0.0084 0.001477
C 7.34705 0.89094 19.98584 0.001856 0.010582 0.003724
C 8.08525 2.16424 19.98383 -0.001148 -0.007283 0.002782
C 5.14244 4.71084 19.96553 0.000234 0.010587 -0.006773
C 5.88064 3.43754 19.96278 0.014976 -0.008849 -0.007861
C 7.34705 3.43754 19.97485 -0.020339 0.006586 -0.003023
C 8.08525 4.71084 19.98134 0.006249 -0.000382 0.000888
C 5.14244 7.25743 19.98587 0.006425 -0.009216 0.00374
C 5.88064 5.98413 19.97593 -0.001676 -0.007717 -0.001748
C 7.34705 5.98413 19.98174 -0.003163 0.006913 0.000938
C 8.08525 7.25743 19.98652 -0.010207 -0.013593 0.003908
C 5.14244 9.80403 19.98755 -0.007205 0.007888 0.004729
C 5.88064 8.53073 19.98821 -0.004214 -0.003055 0.005397
C 7.34705 8.53073 19.98488 0.015129 0.018542 0.002694
C 8.08525 9.80403 19.97548 0.000695 -0.012484 -0.003404
C 5.14244 12.35062 19.98716 -0.003864 0.004803 0.004179
C 5.88064 11.07732 19.98538 0.018922 -0.005051 0.002964
C 7.34705 11.07732 19.97738 -0.012881 0.002896 -0.002564
C 8.08525 12.35062 19.97365 0.004652 -0.003805 -0.004338
C 5.14244 14.89722 19.98773 0.000657 0.009635 0.005448
C 5.88064 13.62392 19.98853 -0.000972 -0.010277 0.005832
C 7.34705 13.62392 19.9845 0.011285 -0.002279 0.002627
C 8.08525 14.89722 19.98736 -0.006509 -0.006921 0.004625
C 3.33388 13.61749 28.13285 -0.003348 0.004086 -0.001071
C 4.11566 12.51675 27.97486 0.006719 -0.005457 0.001948
C 0.15458 12.52382 23.34328 0.026482 -0.023254 -0.000313
C 3.87624 11.35825 28.78114 -0.000941 -0.001149 -0.001993
C 1.51177 12.08148 23.09001 -0.033067 -0.054881 -0.00021
C 4.73527 12.14211 26.65622 0.00164 0.005369 -0.000557
C 3.67818 10.66953 24.28436 0.033334 0.006415 -0.000529
C 3.24415 13.82619 25.64539 -0.011756 0.01816 -0.001744
C 8.75015 13.62547 24.18125 -0.006503 0.029858 -0.000863
C 2.33503 13.89834 24.51796 0.007792 0.032496 0.000991
C 0.15462 10.193 23.34218 0.016436 0.024372 -0.000604
C 4.05878 12.7566 25.50404 0.00775 -0.022701 0.00127
C 2.58823 12.77254 23.66434 0.03265 0.015815 0.000145
C 7.7786 13.82623 27.63389 0.002491 0.001175 0.000721
C 6.96392 12.75663 27.77431 0.004563 -0.005606 -0.00158
C 2.58824 9.9442 23.66373 0.043137 -0.02867 -0.000217
C 8.68778 13.89822 28.76217 -0.009977 -0.004312 -0.000992
C 6.28743 12.14216 26.62199 -0.000707 0.001994 0.000208
C 1.51179 10.63534 23.08907 -0.030154 0.070404 -0.000293
C 3.67814 12.04711 24.28461 0.037842 -0.008256 0.000158
C 2.97451 14.48526 26.95226 0.007305 0.002739 0.002402
C 1.52235 14.69445 27.16304 -0.007808 -0.003088 -0.001365
C 7.68895 13.61751 25.14668 -0.009587 0.013834 0.000482
C 8.7502 9.09137 24.18079 -0.004404 -0.031319 -0.001249
C 8.04841 14.48522 26.32706 -0.009147 0.005136 -0.001414
C 1.04523 14.31407 24.76966 0.010437 0.020656 -0.000326
C 0.68213 14.69436 26.11638 0.008847 -0.005082 0.001025
C 1.04525 8.40269 24.76915 0.004756 -0.023309 0.001781
C 2.88267 11.35823 29.77533 0.000314 -0.000359 0.000963
C 6.90705 12.51681 25.30363 -0.011987 -0.000975 -0.002158
C 7.74337 1.45934 25.14618 0.002801 -0.01816 0.000759
C 8.52532 2.55997 25.30324 0.012171 0.00911 -0.003069
C 4.56417 2.55303 29.9394 0.005874 -0.004919 -0.000213
C 8.28586 3.71854 24.49635 0.023787 -0.000309 0.001021
C 5.92137 2.99539 30.19888 0.018018 -0.0031 -0.00082
C 0.32642 2.93458 26.62177 -5.2e-05 -0.001544 0.001507
C 8.08773 4.40723 28.99398 -0.001554 -0.000776 -0.00129
C 7.65369 1.25056 27.6336 -0.003835 -0.000682 0.001838
C 4.34123 1.45137 29.09853 0.011502 -0.002179 -0.000286
C 6.74454 1.17847 28.76191 0.00885 0.002835 -0.001924
C 4.56414 4.88384 29.93935 0.005275 0.005659 -0.000431
C 8.46841 2.32009 27.77414 -0.005744 0.005524 -0.003423
C 6.99779 2.30432 29.61588 0.007813 0.006678 -0.000801
C 3.36959 1.25049 25.64527 0.005755 -0.013302 0.002272
C 2.55502 2.32013 25.50416 -0.001333 0.016158 -0.000825
C 6.99777 5.13257 29.61581 0.005895 -0.004942 -0.001062
C 4.27879 1.17854 24.51759 -0.011354 -0.015674 -0.001149
C 1.87856 2.93457 26.6563 -0.002789 -0.005365 -0.000306
C 5.92133 4.4415 30.19884 0.019305 0.005393 -0.000937
C 8.08777 3.02965 28.99409 -0.001437 0.001405 -0.000352
C 7.38388 0.59159 26.32678 0.009416 -0.005461 -0.002699
C 5.93171 0.38246 26.11605 -0.008643 0.005752 -0.001183
C 3.27999 1.45927 28.13277 0.0041 -0.004601 0.000332
C 4.3412 5.98554 29.09848 0.010912 0.002471 -0.000312
C 3.63933 0.59149 26.9522 -0.007291 -0.003986 -0.002077
C 5.45473 0.76268 28.50969 -0.000425 0.003776 -0.000279
C 5.09151 0.38235 27.16268 0.007375 0.004107 0.000637
C 5.4547 6.6742 28.50962 -0.000722 -0.004147 -0.001301
C 7.29223 3.7186 23.503 -0.003151 -0.000662 -0.001834
C 2.49814 2.55995 27.97498 -0.008042 0.005261 0.000313
C 7.68894 9.09912 25.14616 -0.005449 -0.012143 0.000704
C 6.90699 10.19976 25.30347 -0.014047 0.004069 -0.003206
C 2.04968 10.19281 29.93927 -0.005933 -0.005188 -0.000139
C 7.14645 11.35832 24.49693 -0.029633 -0.001962 0.001639
C 0.69248 10.63518 30.19892 -0.017481 -0.002743 -0.000694
C 6.28743 10.57437 26.62189 -0.00117 -0.003119 0.002676
C 7.34457 12.04702 28.99419 0.001617 -0.00176 -0.000414
C 7.77861 8.89034 27.63361 0.002849 -0.002527 0.000819
C 2.27262 9.09115 29.09837 -0.010921 -0.001232 0.000308
C 8.68777 8.81826 28.7619 -0.009254 0.003181 -0.001382
C 2.0497 12.52363 29.93944 -0.00476 0.00383 -6.5e-05
C 6.96389 9.95988 27.77419 0.004328 0.005211 -0.003284
C 8.43451 9.94411 29.61586 -0.004649 0.004874 -0.000546
C 3.24426 8.89028 25.64491 -0.015502 -0.018433 -0.002304
C 4.05882 9.95992 25.50373 0.008687 0.02344 0.003078
C 8.43454 12.77236 29.61604 -0.007173 -0.004097 -0.000465
C 2.33505 8.81833 24.51738 0.008481 -0.025134 0.00091
C 4.73528 10.57436 26.65615 0.000536 -0.006484 -0.00325
C 0.69251 12.08129 30.19902 -0.017244 0.002225 -0.000499
C 7.34453 10.66944 28.99411 0.001382 0.002159 -0.000162
C 8.04842 8.23138 26.32667 -0.008895 -0.004393 -0.000956
C 0.68213 8.02224 26.116 0.00831 0.008807 -0.008926
C 3.33385 9.09905 28.13259 -0.004309 -0.004535 -0.00128
C 2.27264 13.62533 29.09864 -0.009161 0.00197 0.000682
C 2.97452 8.23128 26.95194 0.007076 -0.002856 0.000755
C 1.15912 8.40247 28.50954 0.001837 0.003583 -0.002532
C 1.52234 8.02214 27.16251 -0.005547 0.003262 0.008088
C 1.15914 14.31399 28.50989 0.001168 -0.003433 0.000151
C 8.14007 11.35839 23.5041 0.005173 0.002046 -0.001503
C 4.1157 10.19974 27.97476 0.005952 0.005786 0.002547
C 3.27996 5.9777 28.13268 0.004912 0.004573 -0.000155
C 2.49818 4.87696 27.9749 -0.008712 -0.00606 0.000153
C 6.45926 4.88403 23.34074 -0.005639 -0.009306 -0.000793
C 2.73761 3.71846 28.78123 0.001352 0.000926 -0.000676
C 5.10207 4.4417 23.08671 0.012693 -0.044006 -0.000582
C 1.87858 4.50232 26.6562 -0.002549 0.00518 6.9e-05
C 2.93567 3.02974 24.28444 -0.027792 -0.00239 0.000244
C 3.36969 6.1864 25.64518 0.006716 0.013135 0.001253
C 6.68215 5.98568 24.1804 -0.00418 0.014271 -0.001695
C 4.27882 6.25855 24.51736 -0.013076 0.005777 -0.001117
C 6.45922 2.55321 23.34174 -0.016806 0.009148 -0.000547
C 2.55507 5.11681 25.50405 -0.000523 -0.016836 -0.000725
C 4.02561 5.13276 23.66398 -0.033827 0.020144 -0.000202
C 7.6537 6.18645 27.63356 -0.004102 0.000219 -0.000869
C 8.46839 5.11685 27.77403 -0.005861 -0.006604 -0.001
C 4.02561 2.30441 23.66442 -0.024412 -0.005437 2e-06
C 6.74452 6.25844 28.76184 0.009246 -0.00308 -0.001051
C 0.32641 4.50237 26.62172 -3.4e-05 0.002402 -0.001205
C 5.10205 2.99555 23.08758 0.016814 0.03235 -0.000406
C 2.9357 4.40733 24.28428 -0.022876 0.003944 -3.7e-05
C 3.63934 6.84548 26.95208 -0.007429 0.004119 -0.001806
C 5.0915 7.05466 27.16264 0.008166 -0.003228 0.002206
C 7.74336 5.97772 25.1459 -0.003326 0.01834 -0.000129
C 6.68211 1.45158 24.18074 -0.002114 -0.013089 -0.001621
C 7.3839 6.84544 26.3266 0.008243 0.003379 -0.00098
C 5.56861 6.67429 24.76907 0.006575 0.020848 0.000393
C 5.93172 7.05457 26.116 -0.009733 -0.007486 -0.003439
C 5.5686 0.76291 24.76925 7e-06 -0.019932 0.000281
C 3.73118 3.71844 29.77542 -0.000857 0.000556 0.000186
C 8.52526 4.87702 25.3031 0.016154 -0.012292 -0.002267
168
energy=-1515.04723639 config_type=nep2xyz pbc="T T T" virial="-38.22243744534948 -0.10874069230674102 -0.0007989455351230005 -0.10874069230674102 -43.47462129371807 0.006223365220958109 -0.0007989455351230005 0.006223365220958109 -5.009724903341265" 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 19.98818 -0.009164 0.009573 0.005945
C 1.47141 0.89094 19.98883 0.000959 -0.003749 0.006703
C 2.93782 0.89094 19.98601 0.01401 0.019481 0.004551
C 3.67602 2.16424 19.97813 0.00731 -0.014102 -0.000816
C 0.73321 4.71084 19.98708 -0.013355 0.003027 0.005142
C 1.47141 3.43754 19.98779 0.001177 -0.00481 0.005052
C 2.93782 3.43754 19.98198 0.008809 0.00539 0.000368
C 3.67602 4.71084 19.97608 0.006805 -0.001275 -0.001909
C 0.73321 7.25743 19.98792 0.003245 0.010476 0.005389
C 1.47141 5.98413 19.98901 0.003599 -0.007588 0.006725
C 2.93782 5.98413 19.98593 0.009298 -0.007997 0.004221
C 3.67602 7.25743 19.98761 -0.009854 0.002748 0.00463
C 0.73321 9.80403 19.96968 -0.005089 0.002277 -0.005547
C 1.47141 8.53073 19.98185 -0.003675 0.006911 0.000793
C 2.93782 8.53073 19.98537 0.00619 0.001781 0.002617
C 3.67602 9.80403 19.98131 -0.002667 0.010071 0.000434
C 0.73321 12.35062 19.96619 -0.004959 0.006504 -0.007216
C 1.47141 11.07732 19.96137 -0.000883 -0.007298 -0.009128
C 2.93782 11.07732 19.97032 0.013212 0.001894 -0.00504
C 3.67602 12.35062 19.9797 -0.004553 -0.016438 -0.00101
C 0.73321 14.89722 19.9862 0.005437 -0.008094 0.004382
C 1.47141 13.62392 19.97667 0.001737 -0.010002 -0.001783
C 2.93782 13.62392 19.9814 -0.003211 0.011272 0.00032
C 3.67602 14.89722 19.98654 -0.010264 -0.016288 0.004409
C 5.14244 2.16424 19.96952 -0.000719 0.00304 -0.004994
C 5.88064 0.89094 19.98135 -0.006157 0.010152 0.00103
C 7.34705 0.89094 19.98529 0.002681 0.010654 0.003185
C 8.08525 2.16424 19.98258 -0.002887 -0.00559 0.00171
C 5.14244 4.71084 19.96535 -0.002667 0.016081 -0.007048
C 5.88064 3.43754 19.96136 0.016841 -0.010442 -0.008607
C 7.34705 3.43754 19.97262 -0.017029 0.006002 -0.004271
C 8.08525 4.71084 19.97988 0.004009 -0.00208 -0.000141
C 5.14244 7.25743 19.98562 0.007119 -0.011195 0.003403
C 5.88064 5.98413 19.97535 -0.005192 -0.007639 -0.002284
C 7.34705 5.98413 19.98078 -0.002293 0.008097 0.000189
C 8.08525 7.25743 19.98651 -0.010566 -0.014821 0.004047
C 5.14244 9.80403 19.98665 -0.01121 0.006439 0.004005
C 5.88064 8.53073 19.98806 -0.004256 -0.00246 0.005122
C 7.34705 8.53073 19.98559 0.013227 0.016829 0.003227
C 8.08525 9.80403 19.97739 0.002248 -0.009398 -0.002061
C 5.14244 12.35062 19.98626 -0.006754 0.005109 0.003563
C 5.88064 11.07732 19.9854 0.018904 -0.003901 0.002938
C 7.34705 11.07732 19.97929 -0.012562 0.00243 -0.001269
C 8.08525 12.35062 19.97589 0.005292 -0.005624 -0.002843
C 5.14244 14.89722 19.98759 -8.9e-05 0.008977 0.005121
C 5.88064 13.62392 19.98854 -0.002171 -0.0103 0.005809
C 7.34705 13.62392 19.98553 0.009166 -0.002614 0.00356
C 8.08525 14.89722 19.98767 -0.00563 -0.003898 0.005048
C 3.55434 13.61749 28.13288 -0.003426 0.004293 -0.000875
C 4.33613 12.51675 27.97491 0.007393 -0.005494 0.001688
C 0.37505 12.52382 23.343 0.030997 -0.023995 -0.0002
C 4.0967 11.35825 28.78119 -0.000781 -0.001134 -0.002047
C 1.73223 12.08148 23.09013 -0.030956 -0.058041 -0.000157
C 4.95573 12.14211 26.65626 0.002492 0.005216 0.000218
C 3.89864 10.66953 24.28445 0.03214 0.006861 -0.000571
C 3.46461 13.82619 25.64546 -0.009994 0.017313 -0.000236
C 0.15215 13.62547 24.18112 -0.006411 0.03166 -0.001538
C 2.55549 13.89834 24.51801 0.010212 0.032072 0.000219
C 0.37508 10.193 23.34193 0.017373 0.021698 -0.000474
C 4.27924 12.7566 25.50417 0.006862 -0.020787 0.000395
C 2.8087 12.77254 23.66459 0.026841 0.013842 0.000275
C 7.99907 13.82623 27.63381 0.002562 0.000703 0.001283
C 7.18438 12.75663 27.77423 0.005012 -0.005789 -0.001868
C 2.8087 9.9442 23.6639 0.038314 -0.026323 -0.000103
C 0.08978 13.89822 28.76211 -0.010008 -0.004543 -0.001252
C 6.5079 12.14216 26.62189 -7.9e-05 0.001722 0.000146
C 1.73225 10.63534 23.08919 -0.026461 0.076089 -0.000277
C 3.8986 12.04711 24.2847 0.038454 -0.007507 0.000425
C 3.19497 14.48526 26.95231 0.007721 0.003273 0.001199
C 1.74281 14.69445 27.16299 -0.007854 -0.003737 0.000214
C 7.90941 13.61751 25.14654 -0.008064 0.014221 0.001241
C 0.1522 9.09137 24.18068 -0.005486 -0.03059 -0.001894
C 8.26887 14.48522 26.327 -0.009279 0.005109 -0.002185
C 1.2657 14.31407 24.76959 0.007036 0.018951 0.000562
C 0.90259 14.69436 26.11636 0.00815 -0.004967 -0.000634
C 1.26571 8.40269 24.76914 0.004952 -0.02195 0.001944
C 3.10313 11.35823 29.77537 0.000246 -0.000304 0.001015
C 7.12751 12.51681 25.30348 -0.013101 -0.003514 -0.002929
C 7.96383 1.45934 25.14617 0.002218 -0.01673 -0.000469
C 8.74578 2.55997 25.30323 0.012833 0.007253 -0.001645
C 4.78463 2.55303 29.93941 0.006148 -0.005194 -0.000136
C 8.50632 3.71854 24.49635 0.020672 -0.001351 -0.000889
C 6.14183 2.99539 30.19889 0.018283 -0.002922 -0.000767
C 0.54688 2.93458 26.62179 0.000158 -0.001635 0.000937
C 8.30819 4.40723 28.994 -0.001638 -0.000863 -0.001411
C 7.87416 1.25056 27.63361 -0.003751 -0.001272 0.000786
C 4.56169 1.45137 29.09854 0.01191 -0.002336 -0.000285
C 6.965 1.17847 28.7619 0.008933 0.002913 -0.001527
C 4.7846 4.88384 29.93937 0.005466 0.005817 -0.000286
C 8.68887 2.32009 27.77413 -0.006305 0.005393 -0.002808
C 7.21826 2.30432 29.61588 0.007465 0.006396 -0.000794
C 3.59005 1.25049 25.6453 0.006492 -0.014475 0.001501
C 2.77548 2.32013 25.50428 -0.002026 0.016627 -0.000294
C 7.21823 5.13257 29.61582 0.005772 -0.004801 -0.000991
C 4.49926 1.17854 24.51754 -0.013109 -0.016459 -0.000645
C 2.09902 2.93457 26.65639 -0.003344 -0.005109 -0.000549
C 6.1418 4.4415 30.19886 0.019454 0.005106 -0.000912
C 8.30823 3.02965 28.99409 -0.001476 0.001511 -0.000433
C 7.60434 0.59159 26.32673 0.009125 -0.005256 -0.001421
C 6.15217 0.38246 26.11601 -0.009735 0.006261 -0.000792
C 3.50045 1.45927 28.13279 0.00412 -0.00473 0.000333
C 4.56167 5.98554 29.0985 0.011314 0.002743 -0.000428
C 3.85979 0.59149 26.95221 -0.00707 -0.003843 -0.00136
C 5.67519 0.76268 28.50967 -0.000485 0.004195 -0.000169
C 5.31197 0.38235 27.16267 0.008295 0.003715 0.000162
C 5.67516 6.6742 28.50962 -0.000584 -0.004461 -0.001361
C 7.51269 3.7186 23.50322 -0.002679 -0.001415 -0.001069
C 2.71861 2.55995 27.97505 -0.00845 0.005257 0.000287
C 7.9094 9.09912 25.14598 -0.002018 -0.01463 0.001423
C 7.12745 10.19976 25.30327 -0.016266 0.009213 -0.004025
C 2.27014 10.19281 29.93928 -0.006116 -0.005346 -0.000192
C 7.36691 11.35832 24.49668 -0.028173 -0.002944 0.002517
C 0.91294 10.63518 30.19889 -0.017983 -0.003056 -0.000757
C 6.50789 10.57437 26.62177 -0.000508 -0.002999 0.003116
C 7.56504 12.04702 28.99412 0.001765 -0.001834 -0.000449
C 7.99907 8.89034 27.63352 0.003106 -0.001883 0.001713
C 2.49308 9.09115 29.09838 -0.011431 -0.001414 0.000386
C 0.08977 8.81826 28.76185 -0.009684 0.003424 -0.001739
C 2.27017 12.52363 29.93946 -0.004886 0.003992 -7.3e-05
C 7.18435 9.95988 27.7741 0.004779 0.005488 -0.003741
C 8.65497 9.94411 29.6158 -0.004933 0.005122 -0.000625
C 3.46472 8.89028 25.64499 -0.014046 -0.017284 -0.002005
C 4.27929 9.95992 25.50384 0.008669 0.021179 0.002929
C 8.655 12.77236 29.61598 -0.007482 -0.004422 -0.000529
C 2.55551 8.81833 24.51742 0.008812 -0.026882 0.000625
C 4.95575 10.57436 26.65621 0.001302 -0.00642 -0.003367
C 0.91297 12.08129 30.19898 -0.017776 0.00253 -0.000537
C 7.565 10.66944 28.99404 0.001505 0.002269 -0.000106
C 8.26889 8.23138 26.32661 -0.009042 -0.004311 -0.002193
C 0.90259 8.02224 26.11598 0.008382 0.008773 -0.00816
C 3.55432 9.09905 28.13263 -0.004195 -0.004584 -0.001403
C 2.4931 13.62533 29.09865 -0.009738 0.002223 0.000656
C 3.19498 8.23128 26.95198 0.006891 -0.002733 0.000844
C 1.37958 8.40247 28.50954 0.001908 0.003469 -0.002303
C 1.7428 8.02214 27.16251 -0.006162 0.003277 0.007224
C 1.3796 14.31399 28.50989 0.001113 -0.003189 -0.000132
C 8.36054 11.35839 23.50355 -0.000434 0.001114 -0.001982
C 4.33616 10.19974 27.97482 0.006523 0.0058 0.002713
C 3.50042 5.9777 28.13272 0.00506 0.004781 0.000302
C 2.71864 4.87696 27.97498 -0.009259 -0.006048 -0.000324
C 6.67972 4.88403 23.34057 -0.006602 -0.008398 -0.001009
C 2.95807 3.71846 28.78129 0.001379 0.000701 -0.000108
C 5.32254 4.4417 23.08711 0.013732 -0.039878 -0.000571
C 2.09904 4.50232 26.6563 -0.003267 0.004887 0.00102
C 3.15613 3.02974 24.28473 -0.027597 0.003793 0.000158
C 3.59016 6.1864 25.64525 0.006926 0.014513 0.001693
C 6.90262 5.98568 24.18038 -0.007381 0.018112 -0.000837
C 4.49928 6.25855 24.51738 -0.01679 0.005199 -0.001006
C 6.67968 2.55321 23.34152 -0.013362 0.005011 -0.000755
C 2.77553 5.11681 25.50421 -0.000281 -0.017558 -0.001265
C 4.24607 5.13276 23.66421 -0.032085 0.020862 -0.0002
C 7.87416 6.18645 27.63359 -0.003868 0.000864 -0.001799
C 8.68885 5.11685 27.77404 -0.006422 -0.006334 -0.000301
C 4.24607 2.30441 23.66451 -0.02459 -0.007093 -3.3e-05
C 6.96499 6.25844 28.76185 0.009031 -0.003174 -0.000706
C 0.54687 4.50237 26.62177 0.000294 0.002281 -0.002095
C 5.32251 2.99555 23.08789 0.016161 0.031755 -0.000422
C 3.15616 4.40733 24.28459 -0.024934 -0.001154 0.000239
C 3.8598 6.84548 26.95212 -0.007789 0.004636 -0.002215
C 5.31196 7.05466 27.16263 0.008744 -0.003424 0.002973
C 7.96382 5.97772 25.14597 -0.001545 0.015032 -0.001354
C 6.90257 1.45158 24.18071 -0.004274 -0.014538 -0.000771
C 7.60436 6.84544 26.32659 0.0079 0.00326 0.000406
C 5.78907 6.67429 24.76901 0.0129 0.021212 0.000266
C 6.15218 7.05457 26.11598 -0.010162 -0.007581 -0.004182
C 5.78906 0.76291 24.7692 0.003278 -0.020945 -0.000129
C 3.95164 3.71844 29.77547 -0.00079 0.000555 0.00013
C 8.74572 4.87702 25.30315 0.015431 -0.007558 -0.000755
168
energy=-1515.04649165 config_type=nep2xyz pbc="T T T" virial="-38.23564107156151 -0.08489847554807042 -0.008452002766301215 -0.08489847554807042 -43.47512589089815 0.004961872270763898 -0.008452002766301215 0.004961872270763898 -4.992526549453617" 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 19.98773 -0.00983 0.006814 0.005622
C 1.47141 0.89094 19.98886 -0.001389 -0.003242 0.006709
C 2.93782 0.89094 19.98642 0.013931 0.017389 0.004596
C 3.67602 2.16424 19.97913 0.010716 -0.012459 -0.000445
C 0.73321 4.71084 19.98667 -0.011693 0.003341 0.00475
C 1.47141 3.43754 19.98786 0.001101 -0.002961 0.004996
C 2.93782 3.43754 19.98303 0.006484 0.002977 0.00087
C 3.67602 4.71084 19.97751 0.013369 -0.000929 -0.001526
C 0.73321 7.25743 19.98815 0.004846 0.00999 0.005656
C 1.47141 5.98413 19.98922 0.000376 -0.006983 0.006796
C 2.93782 5.98413 19.98671 0.008932 -0.007077 0.004336
C 3.67602 7.25743 19.98752 -0.006975 0.003378 0.004322
C 0.73321 9.80403 19.97151 -0.007929 0.007419 -0.00449
C 1.47141 8.53073 19.98227 -0.001142 0.00272 0.00116
C 2.93782 8.53073 19.98453 0.005575 0.00537 0.002022
C 3.67602 9.80403 19.9789 -0.000739 0.011289 -0.000766
C 0.73321 12.35062 19.96832 -0.004418 -0.001768 -0.006213
C 1.47141 11.07732 19.96196 -0.006675 -0.00318 -0.008851
C 2.93782 11.07732 19.96771 0.017943 -0.000132 -0.00608
C 3.67602 12.35062 19.97707 -0.00145 -0.015774 -0.002274
C 0.73321 14.89722 19.98644 0.007376 -0.008922 0.004767
C 1.47141 13.62392 19.97718 0.003953 -0.004847 -0.001562
C 2.93782 13.62392 19.98026 -0.002968 0.006077 -0.000413
C 3.67602 14.89722 19.98621 -0.007943 -0.014259 0.003922
C 5.14244 2.16424 19.96951 -0.00182 -8.4e-05 -0.005147
C 5.88064 0.89094 19.98119 -0.006188 0.012226 0.000665
C 7.34705 0.89094 19.98478 0.002703 0.008828 0.002794
C 8.08525 2.16424 19.98133 -0.004089 -0.000971 0.00085
C 5.14244 4.71084 19.96548 -0.005147 0.018485 -0.007144
C 5.88064 3.43754 19.96049 0.015617 -0.010777 -0.00919
C 7.34705 3.43754 19.97049 -0.010996 0.005127 -0.005431
C 8.08525 4.71084 19.97852 0.001127 -0.005531 -0.001062
C 5.14244 7.25743 19.98538 0.007601 -0.012774 0.002914
C 5.88064 5.98413 19.9751 -0.00754 -0.007811 -0.002633
C 7.34705 5.98413 19.97998 -0.002205 0.008605 -0.000323
C 8.08525 7.25743 19.98655 -0.010783 -0.015387 0.00424
C 5.14244 9.80403 19.98556 -0.01504 0.004785 0.003261
C 5.88064 8.53073 19.98785 -0.004351 -0.001295 0.004857
C 7.34705 8.53073 19.98632 0.010982 0.014173 0.003853
C 8.08525 9.80403 19.97944 0.003965 -0.005888 -0.000553
C 5.14244 12.35062 19.98515 -0.01075 0.004447 0.002761
C 5.88064 11.07732 19.98533 0.017293 -0.002643 0.002839
C 7.34705 11.07732 19.98127 -0.01035 0.002161 0.000113
C 8.08525 12.35062 19.9782 0.005348 -0.006023 -0.001289
C 5.14244 14.89722 19.98739 -0.000509 0.007318 0.004668
C 5.88064 13.62392 19.98846 -0.003121 -0.009144 0.005705
C 7.34705 13.62392 19.98653 0.006969 -0.003846 0.004333
C 8.08525 14.89722 19.98795 -0.004943 -0.000136 0.005446
C 3.77481 13.61749 28.13292 -0.003691 0.004522 -0.000266
C 4.55659 12.51675 27.97501 0.008312 -0.005526 0.00115
C 0.59551 12.52382 23.34254 0.033666 -0.022428 -0.000179
C 4.31716 11.35825 28.78127 -0.000774 -0.001147 -0.001563
C 1.95269 12.08148 23.09006 -0.028032 -0.059797 -0.00011
C 5.17619 12.14211 26.65635 0.003432 0.0049 0.00108
C 4.1191 10.66953 24.28461 0.029703 0.006479 -0.000467
C 3.68507 13.82619 25.64555 -0.008241 0.016541 0.001508
C 0.37261 13.62547 24.18096 -0.004872 0.032686 -0.001871
C 2.77595 13.89834 24.51806 0.013672 0.029906 -0.000561
C 0.59555 10.193 23.34161 0.017786 0.016941 -0.000422
C 4.4997 12.7566 25.50435 0.005837 -0.018809 -0.000618
C 3.02916 12.77254 23.66489 0.022044 0.01143 0.000367
C 8.21953 13.82623 27.63374 0.002575 0.000422 0.001235
C 7.40484 12.75663 27.77415 0.005696 -0.006019 -0.001725
C 3.02916 9.9442 23.66418 0.033199 -0.022308 3e-06
C 0.31024 13.89822 28.76205 -0.009892 -0.004665 -0.001345
C 6.72836 12.14216 26.62181 0.000329 0.00132 -0.00014
C 1.95272 10.63534 23.0892 -0.022205 0.078861 -0.000241
C 4.11907 12.04711 24.28484 0.037224 -0.005898 0.000695
C 3.41543 14.48526 26.95237 0.008314 0.00391 -0.000419
C 1.96327 14.69445 27.16293 -0.00755 -0.004446 0.003696
C 8.12987 13.61751 25.14639 -0.00595 0.01378 0.00139
C 0.37266 9.09137 24.18058 -0.005211 -0.029183 -0.002143
C 8.48933 14.48522 26.32691 -0.009368 0.005094 -0.001822
C 1.48616 14.31407 24.76951 0.00146 0.017031 0.001735
C 1.12305 14.69436 26.11635 0.007076 -0.005071 -0.004175
C 1.48617 8.40269 24.76914 0.003357 -0.020121 0.00199
C 3.32359 11.35823 29.77543 0.000259 -0.000229 0.000929
C 7.34797 12.51681 25.30333 -0.014337 -0.005382 -0.003067
C 8.18429 1.45934 25.14614 0.000997 -0.01509 -0.001321
C 0.14778 2.55997 25.3032 0.014014 0.006302 -0.000586
C 5.00509 2.55303 29.93944 0.00643 -0.005481 -3.1e-05
C 8.72678 3.71854 24.4963 0.015734 -0.002422 -0.002355
C 6.36229 2.99539 30.1989 0.018607 -0.002989 -0.00073
C 0.76734 2.93458 26.6218 0.00025 -0.001615 0.000601
C 8.52866 4.40723 28.99402 -0.001713 -0.000981 -0.001493
C 8.09462 1.25056 27.6336 -0.003664 -0.001657 0.00025
C 4.78215 1.45137 29.09856 0.012388 -0.002547 -0.00028
C 7.18546 1.17847 28.76189 0.009071 0.002982 -0.001324
C 5.00506 4.88384 29.93941 0.005638 0.005923 -0.000151
C 0.09088 2.32009 27.77412 -0.006855 0.005348 -0.002438
C 7.43872 2.30432 29.61587 0.0071 0.006221 -0.000779
C 3.81051 1.25049 25.64534 0.007229 -0.01542 0.000843
C 2.99594 2.32013 25.50441 -0.002966 0.016742 0.000287
C 7.43869 5.13257 29.61584 0.005849 -0.004788 -0.000946
C 4.71972 1.17854 24.51753 -0.015169 -0.017497 -0.000217
C 2.31948 2.93457 26.6565 -0.00391 -0.004883 -0.000856
C 6.36226 4.4415 30.19888 0.019626 0.004899 -0.000848
C 8.52869 3.02965 28.99408 -0.001517 0.001632 -0.000488
C 7.8248 0.59159 26.32669 0.008969 -0.005163 -0.000727
C 6.37264 0.38246 26.11599 -0.010482 0.006675 -0.000684
C 3.72091 1.45927 28.13283 0.004171 -0.004806 0.000332
C 4.78213 5.98554 29.09855 0.011697 0.002996 -0.000473
C 4.08025 0.59149 26.95224 -0.007024 -0.003793 -0.000622
C 5.89565 0.76268 28.50965 -0.000567 0.004487 -3.5e-05
C 5.53243 0.38235 27.16267 0.009095 0.003358 -3.2e-05
C 5.89563 6.6742 28.50964 -0.000407 -0.004676 -0.001111
C 7.73316 3.7186 23.50328 0.002146 -0.002029 -0.000483
C 2.93907 2.55995 27.97513 -0.008861 0.005319 0.00039
C 8.12986 9.09912 25.14584 0.00128 -0.016115 0.001771
C 7.34791 10.19976 25.30311 -0.018247 0.013269 -0.004325
C 2.4906 10.19281 29.93933 -0.006335 -0.005511 -0.000177
C 7.58737 11.35832 24.49642 -0.023859 -0.003766 0.00271
C 1.1334 10.63518 30.19886 -0.018585 -0.003393 -0.000758
C 6.72835 10.57437 26.62168 0.000134 -0.002709 0.003113
C 7.7855 12.04702 28.99406 0.001864 -0.001834 -0.000615
C 8.21953 8.89034 27.63346 0.003288 -0.001402 0.002113
C 2.71354 9.09115 29.09842 -0.012044 -0.001688 0.000417
C 0.31023 8.81826 28.76181 -0.009941 0.003634 -0.001911
C 2.49063 12.52363 29.93948 -0.005089 0.004219 1e-06
C 7.40482 9.95988 27.77403 0.005477 0.005796 -0.004033
C 0.05697 9.94411 29.61576 -0.005315 0.005451 -0.000705
C 3.68518 8.89028 25.6451 -0.012336 -0.016151 -0.001318
C 4.49975 9.95992 25.50402 0.008401 0.018806 0.00261
C 0.057 12.77236 29.61594 -0.007691 -0.004828 -0.000571
C 2.77598 8.81833 24.51748 0.010317 -0.027527 0.000298
C 5.17621 10.57436 26.65631 0.00217 -0.006093 -0.003124
C 1.13344 12.08129 30.19895 -0.018443 0.003014 -0.000578
C 7.78546 10.66944 28.99398 0.001592 0.002332 -0.000111
C 8.48935 8.23138 26.32656 -0.009242 -0.00445 -0.002803
C 1.12306 8.02224 26.11597 0.0084 0.008592 -0.007503
C 3.77478 9.09905 28.1327 -0.004129 -0.004663 -0.00133
C 2.71356 13.62533 29.09867 -0.010441 0.002579 0.000456
C 3.41544 8.23128 26.95206 0.006918 -0.002779 0.000574
C 1.60004 8.40247 28.50955 0.001876 0.003357 -0.002111
C 1.96326 8.02214 27.16253 -0.006852 0.003272 0.006583
C 1.60007 14.31399 28.50989 0.001076 -0.002898 -0.000894
C 8.581 11.35839 23.50304 -0.008622 0.000197 -0.002115
C 4.55662 10.19974 27.97491 0.007313 0.005771 0.002506
C 3.72089 5.9777 28.13279 0.005077 0.004956 0.000621
C 2.9391 4.87696 27.97508 -0.009826 -0.006019 -0.000659
C 6.90018 4.88403 23.34046 -0.009532 -0.007073 -0.001096
C 3.17853 3.71846 28.78137 0.001279 0.000514 0.000164
C 5.543 4.4417 23.08758 0.015128 -0.038519 -0.000512
C 2.3195 4.50232 26.65641 -0.004011 0.004501 0.001954
C 3.37659 3.02974 24.28501 -0.026215 0.007836 8.2e-05
C 3.81062 6.1864 25.64534 0.00697 0.015663 0.00212
C 7.12308 5.98568 24.18038 -0.009639 0.022014 -0.000267
C 4.71974 6.25855 24.51746 -0.020517 0.005914 -0.000947
C 6.90015 2.55321 23.34124 -0.011177 0.000922 -0.000907
C 2.99599 5.11681 25.5044 -0.000422 -0.017807 -0.001774
C 4.46653 5.13276 23.66451 -0.029585 0.019655 -0.000127
C 8.09463 6.18645 27.63362 -0.003627 0.001288 -0.002282
C 0.09085 5.11685 27.77405 -0.006999 -0.006166 0.000257
C 4.46653 2.30441 23.66466 -0.024659 -0.008065 -8e-06
C 7.18545 6.25844 28.76187 0.008913 -0.00334 -0.000492
C 0.76733 4.50237 26.62181 0.000458 0.001904 -0.002924
C 5.54298 2.99555 23.08816 0.015326 0.034618 -0.000396
C 3.37663 4.40733 24.28491 -0.026212 -0.004465 0.00055
C 4.08026 6.84548 26.95219 -0.008167 0.005149 -0.002265
C 5.53242 7.05466 27.16265 0.009552 -0.003605 0.002747
C 8.18428 5.97772 25.14604 -0.000105 0.011805 -0.002147
C 7.12303 1.45158 24.18065 -0.005845 -0.016448 -0.000148
C 7.82482 6.84544 26.3266 0.007725 0.003404 0.001094
C 6.00953 6.67429 24.769 0.018042 0.020306 -8.7e-05
C 6.37264 7.05457 26.11599 -0.010527 -0.007304 -0.003735
C 6.00952 0.76291 24.76917 0.006399 -0.020797 -0.00038
C 4.1721 3.71844 29.77553 -0.000704 0.00051 0.00016
C 0.14772 4.87702 25.30318 0.015047 -0.00375 0.000465
168
energy=-1515.04553888 config_type=nep2xyz pbc="T T T" virial="-38.258600243255046 -0.053697549913266925 -0.005424419685835108 -0.053697549913266925 -43.47773297632855 0.00588696710090632 -0.005424419685835108 0.00588696710090632 -4.971123219065322" 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 19.987 -0.009992 0.004224 0.00513
C 1.47141 0.89094 19.98865 -0.002994 -0.0014 0.006868
C 2.93782 0.89094 19.98665 0.012682 0.014239 0.004752
C 3.67602 2.16424 19.98009 0.013927 -0.009533 -0.000202
C 0.73321 4.71084 19.98598 -0.009639 0.002641 0.004408
C 1.47141 3.43754 19.98754 0.001424 -0.00109 0.004799
C 2.93782 3.43754 19.98373 0.002754 0.000647 0.001224
C 3.67602 4.71084 19.97883 0.018338 -0.000323 -0.001233
C 0.73321 7.25743 19.98823 0.005688 0.009201 0.00612
C 1.47141 5.98413 19.98914 -0.00191 -0.006568 0.007017
C 2.93782 5.98413 19.98716 0.007997 -0.006227 0.004631
C 3.67602 7.25743 19.98728 -0.004043 0.003408 0.00413
C 0.73321 9.80403 19.97352 -0.007775 0.011799 -0.003696
C 1.47141 8.53073 19.98266 0.00071 3.6e-05 0.001393
C 2.93782 8.53073 19.98358 0.004892 0.009127 0.001413
C 3.67602 9.80403 19.97645 0.001482 0.010196 -0.002138
C 0.73321 12.35062 19.97061 -0.002399 -0.009186 -0.005698
C 1.47141 11.07732 19.96292 -0.010568 0.000173 -0.00874
C 2.93782 11.07732 19.9654 0.017489 -0.002778 -0.007637
C 3.67602 12.35062 19.97434 0.002354 -0.011113 -0.003942
C 0.73321 14.89722 19.98653 0.00888 -0.010699 0.005179
C 1.47141 13.62392 19.97771 0.005204 0.000435 -0.001465
C 2.93782 13.62392 19.97905 -0.001613 0.000616 -0.001199
C 3.67602 14.89722 19.9858 -0.006233 -0.012823 0.003614
C 5.14244 2.16424 19.96997 -0.002878 -0.001186 -0.005393
C 5.88064 0.89094 19.98122 -0.005579 0.014252 0.000414
C 7.34705 0.89094 19.98426 0.001636 0.005915 0.002579
C 8.08525 2.16424 19.98003 -0.004098 0.005122 -5.9e-05
C 5.14244 4.71084 19.96619 -0.007118 0.017078 -0.007402
C 5.88064 3.43754 19.96038 0.010874 -0.010073 -0.009939
C 7.34705 3.43754 19.96859 -0.003274 0.004262 -0.00658
C 8.08525 4.71084 19.97724 -0.001434 -0.009746 -0.002009
C 5.14244 7.25743 19.98517 0.007224 -0.013562 0.002743
C 5.88064 5.98413 19.97528 -0.008037 -0.008021 -0.003023
C 7.34705 5.98413 19.97937 -0.00296 0.008935 -0.000751
C 8.08525 7.25743 19.98654 -0.010684 -0.015246 0.004696
C 5.14244 9.80403 19.98436 -0.017852 0.002717 0.00244
C 5.88064 8.53073 19.98756 -0.005014 0.000721 0.004804
C 7.34705 8.53073 19.98695 0.008681 0.011197 0.004752
C 8.08525 9.80403 19.98146 0.005667 -0.002861 0.000805
C 5.14244 12.35062 19.98388 -0.01498 0.003168 0.001901
C 5.88064 11.07732 19.98513 0.014573 -0.001778 0.002744
C 7.34705 11.07732 19.98312 -0.007607 0.001746 0.001413
C 8.08525 12.35062 19.98039 0.005314 -0.005328 0.000102
C 5.14244 14.89722 19.98714 -0.000773 0.005297 0.004436
C 5.88064 13.62392 19.98823 -0.003995 -0.007448 0.005577
C 7.34705 13.62392 19.98734 0.005179 -0.005323 0.005232
C 8.08525 14.89722 19.98809 -0.004558 0.003326 0.005914
C 3.99527 13.61749 28.13294 -0.004604 0.004922 0.001788
C 4.77705 12.51675 27.97514 0.009697 -0.005264 -0.001927
C 0.81597 12.52382 23.34201 0.034117 -0.020191 -0.001626
C 4.53762 11.35825 28.78128 -0.003156 -0.000718 0.004391
C 2.17316 12.08148 23.08984 -0.024884 -0.059506 -0.000131
C 5.39666 12.14211 26.65647 0.00427 0.004701 -0.000135
C 4.33956 10.66953 24.28481 0.027283 0.005782 0.000921
C 3.90554 13.82619 25.64569 -0.007524 0.014824 -0.002209
C 0.59308 13.62547 24.18074 -0.003241 0.035023 0.003138
C 2.99641 13.89834 24.51801 0.018132 0.027453 0.002496
C 0.81601 10.193 23.34128 0.01729 0.011873 -0.00163
C 4.72016 12.7566 25.50448 0.005407 -0.016724 0.002023
C 3.24962 12.77254 23.66515 0.018827 0.009421 -0.000194
C 8.43999 13.82623 27.63377 0.00234 0.001945 -0.004436
C 7.6253 12.75663 27.77407 0.006727 -0.006301 0.000704
C 3.24962 9.9442 23.66449 0.028686 -0.017669 1.7e-05
C 0.53071 13.89822 28.76198 -0.009142 -0.005151 0.00097
C 6.94882 12.14216 26.6218 0.000397 0.000974 -0.002206
C 2.17318 10.63534 23.08914 -0.01795 0.077591 -0.000236
C 4.33953 12.04711 24.28503 0.034448 -0.004723 3.4e-05
C 3.63589 14.48526 26.9524 0.008579 0.004637 0.000175
C 2.18373 14.69445 27.1629 -0.008968 -0.004582 0.003422
C 8.35033 13.61751 25.14637 -0.002096 0.011667 -0.004992
C 0.59312 9.09137 24.18044 -0.004689 -0.029113 0.002366
C 8.7098 14.48522 26.32677 -0.009718 0.005095 0.003596
C 1.70662 14.31407 24.76948 -0.004715 0.013611 -0.002462
C 1.34351 14.69436 26.11628 0.00752 -0.004862 -0.002043
C 1.70663 8.40269 24.7692 0.000696 -0.017198 -0.001813
C 3.54405 11.35823 29.77554 0.001708 -3.6e-05 -0.001157
C 7.56843 12.51681 25.30315 -0.017322 -0.005204 0.003518
C 8.40475 1.45934 25.14602 0.000544 -0.013784 0.001916
C 0.36824 2.55997 25.30321 0.014357 0.007756 -0.004492
C 5.22555 2.55303 29.93946 0.006539 -0.005496 0.000219
C 0.12878 3.71854 24.49611 0.014797 -0.003106 0.005773
C 6.58275 2.99539 30.1989 0.018952 -0.003279 -0.000696
C 0.9878 2.93458 26.62182 0.000491 -0.001317 -0.001875
C 8.74912 4.40723 28.99403 -0.001962 -0.001254 -0.001032
C 8.31508 1.25056 27.63364 -0.002941 -0.002896 -0.004125
C 5.00261 1.45137 29.09858 0.012666 -0.002653 -0.000262
C 7.40592 1.17847 28.76184 0.008691 0.003833 0.001275
C 5.22553 4.88384 29.93946 0.005704 0.005642 0.000219
C 0.31134 2.32009 27.77405 -0.008098 0.006052 0.001651
C 7.65918 2.30432 29.61587 0.006864 0.005941 -0.001172
C 4.03097 1.25049 25.64542 0.007999 -0.015236 -0.001886
C 3.21641 2.32013 25.50451 -0.00402 0.01624 0.001272
C 7.65915 5.13257 29.61588 0.006128 -0.004753 -0.001095
C 4.94018 1.17854 24.51752 -0.017038 -0.019214 0.001079
C 2.53995 2.93457 26.65657 -0.004174 -0.004528 0.000817
C 6.58272 4.4415 30.1989 0.019843 0.004834 -0.00087
C 8.74916 3.02965 28.99409 -0.001083 0.001464 -0.001758
C 8.04527 0.59159 26.32665 0.009084 -0.005074 -0.00026
C 6.5931 0.38246 26.116 -0.009707 0.007218 -0.003348
C 3.94138 1.45927 28.13286 0.004602 -0.005039 0.000833
C 5.00259 5.98554 29.09861 0.011852 0.003273 -0.000529
C 4.30071 0.59149 26.95225 -0.007018 -0.003692 0.000612
C 6.11611 0.76268 28.50968 -0.001063 0.003737 -0.002411
C 5.75289 0.38235 27.16262 0.00878 0.00345 0.004029
C 6.11609 6.6742 28.50971 -0.000551 -0.004253 -0.00204
C 7.95362 3.7186 23.50323 0.007136 -0.00236 -0.003765
C 3.15953 2.55995 27.97521 -0.009671 0.004969 -0.001388
C 8.35033 9.09912 25.14587 0.005594 -0.015544 -0.005111
C 7.56837 10.19976 25.3029 -0.022116 0.014298 0.004331
C 2.71106 10.19281 29.93937 -0.006391 -0.005219 0.000314
C 7.80783 11.35832 24.49634 -0.013693 -0.004235 -0.007171
C 1.35386 10.63518 30.19886 -0.019255 -0.003682 -0.000774
C 6.94881 10.57437 26.62175 0.000189 -0.001712 -0.005537
C 8.00596 12.04702 28.99404 0.001781 -0.001902 -0.001095
C 8.44 8.89034 27.63354 0.003026 -0.003365 -0.005658
C 2.934 9.09115 29.0985 -0.011903 -0.002541 -0.001259
C 0.53069 8.81826 28.76176 -0.009403 0.004472 0.001115
C 2.71109 12.52363 29.93951 -0.005194 0.004117 0.000486
C 7.62528 9.95988 27.77391 0.007668 0.006325 0.002958
C 0.27744 9.94411 29.61577 -0.005614 0.005599 -0.001045
C 3.90564 8.89028 25.6452 -0.010777 -0.016269 0.002075
C 4.72021 9.95992 25.50427 0.006943 0.017068 -0.001741
C 0.27746 12.77236 29.61592 -0.007608 -0.004957 -0.000874
C 2.99644 8.81833 24.51755 0.012388 -0.027159 0.000212
C 5.39667 10.57436 26.65635 0.003423 -0.005178 0.003848
C 1.3539 12.08129 30.19894 -0.019272 0.003596 -0.000663
C 8.00592 10.66944 28.99399 0.000936 0.001988 -0.001952
C 8.70981 8.23138 26.32646 -0.009675 -0.004721 0.003937
C 1.34352 8.02224 26.11592 0.009487 0.007974 -0.002766
C 3.99524 9.09905 28.13272 -0.005108 -0.004427 0.00282
C 2.93403 13.62533 29.09871 -0.010559 0.003276 -0.000787
C 3.6359 8.23128 26.9522 0.006925 -0.002847 -0.003257
C 1.8205 8.40247 28.50959 0.00175 0.00332 -0.00177
C 2.18372 8.02214 27.16258 -0.008858 0.003013 0.003656
C 1.82053 14.31399 28.50989 0.001093 -0.002678 -0.001649
C 8.80146 11.35839 23.50265 -0.019086 -0.000717 0.001424
C 4.77709 10.19974 27.9751 0.009657 0.005207 -0.003372
C 3.94135 5.9777 28.13287 0.005166 0.005436 0.000126
C 3.15957 4.87696 27.97517 -0.010071 -0.00564 -0.000487
C 7.12065 4.88403 23.34045 -0.014333 -0.005666 -0.000158
C 3.39899 3.71846 28.7814 0.002384 0.000393 0.002915
C 5.76346 4.4417 23.08809 0.016987 -0.040184 -0.0004
C 2.53996 4.50232 26.65657 -0.004354 0.00446 -0.001951
C 3.59705 3.02974 24.28521 -0.024424 0.009367 3.8e-05
C 4.03108 6.1864 25.64555 0.007197 0.014634 -0.003637
C 7.34354 5.98568 24.18045 -0.011095 0.024392 -0.003051
C 4.9402 6.25855 24.51756 -0.023919 0.008701 0.001415
C 7.12061 2.55321 23.34099 -0.010591 -0.002585 -0.0001
C 3.21645 5.11681 25.50451 -0.001869 -0.017086 0.003129
C 4.687 5.13276 23.66486 -0.026461 0.016875 -6.4e-05
C 8.31509 6.18645 27.63366 -0.002971 0.001545 -0.002702
C 0.31131 5.11685 27.77409 -0.00683 -0.006365 -0.000921
C 4.68699 2.30441 23.6648 -0.024548 -0.008559 4.4e-05
C 7.40591 6.25844 28.76188 0.008603 -0.003769 0.000448
C 0.9878 4.50237 26.62177 0.000524 0.001763 0.001645
C 5.76344 2.99555 23.08841 0.014813 0.041263 -0.000325
C 3.59709 4.40733 24.28517 -0.026453 -0.005955 -0.000567
C 4.30072 6.84548 26.95222 -0.008436 0.005619 0.002233
C 5.75288 7.05466 27.16268 0.009517 -0.003977 0.004118
C 8.40474 5.97772 25.14605 0.002246 0.00954 0.002255
C 7.34349 1.45158 24.18062 -0.007081 -0.017463 -0.002629
C 8.04528 6.84544 26.32666 0.007818 0.003724 -0.000973
C 6.23 6.67429 24.76903 0.02087 0.018747 0.000968
C 6.5931 7.05457 26.11606 -0.009756 -0.00695 -0.004796
C 6.22998 0.76291 24.76915 0.008219 -0.019987 0.000283
C 4.39256 3.71844 29.7756 -0.001379 0.000451 -0.00091
C 0.36818 4.87702 25.30329 0.013094 -0.002745 -0.005814
168
energy=-1515.04479901 config_type=nep2xyz pbc="T T T" virial="-38.27941487693325 -0.024010415818696486 -0.0029855333154596335 -0.024010415818696486 -43.48576448144479 0.006181315455951635 -0.0029855333154596335 0.006181315455951635 -4.951528028572305" 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 19.98609 -0.009418 0.002351 0.004499
C 1.47141 0.89094 19.98842 -0.004009 0.001494 0.006639
C 2.93782 0.89094 19.98689 0.010423 0.010651 0.004676
C 3.67602 2.16424 19.98106 0.016783 -0.005868 0.000243
C 0.73321 4.71084 19.9851 -0.007946 0.001196 0.003649
C 1.47141 3.43754 19.98697 0.00239 0.000182 0.004383
C 2.93782 3.43754 19.98423 -0.00167 -0.001051 0.001593
C 3.67602 4.71084 19.98007 0.021087 0.000436 -0.000673
C 0.73321 7.25743 19.98832 0.005466 0.008281 0.006259
C 1.47141 5.98413 19.98897 -0.003171 -0.006555 0.006836
C 2.93782 5.98413 19.98753 0.006942 -0.005552 0.004873
C 3.67602 7.25743 19.98711 -0.001383 0.0031 0.003922
C 0.73321 9.80403 19.97543 -0.00532 0.014181 -0.002791
C 1.47141 8.53073 19.98306 0.001611 -0.000662 0.001614
C 2.93782 8.53073 19.98272 0.004179 0.012559 0.000831
C 3.67602 9.80403 19.97416 0.002944 0.007134 -0.00348
C 0.73321 12.35062 19.97264 0.000147 -0.013509 -0.004544
C 1.47141 11.07732 19.96398 -0.01135 0.002105 -0.008369
C 2.93782 11.07732 19.96333 0.012514 -0.005233 -0.008552
C 3.67602 12.35062 19.97162 0.005668 -0.003723 -0.00514
C 0.73321 14.89722 19.98662 0.009594 -0.012621 0.005267
C 1.47141 13.62392 19.97814 0.005435 0.004748 -0.001363
C 2.93782 13.62392 19.97781 0.000846 -0.004017 -0.001971
C 3.67602 14.89722 19.98546 -0.005178 -0.012323 0.00306
C 5.14244 2.16424 19.97085 -0.00384 -0.000188 -0.004947
C 5.88064 0.89094 19.98148 -0.004687 0.015347 0.000339
C 7.34705 0.89094 19.98384 9.4e-05 0.00283 0.002184
C 8.08525 2.16424 19.97868 -0.002224 0.010709 -0.000825
C 5.14244 4.71084 19.9674 -0.008088 0.012211 -0.007036
C 5.88064 3.43754 19.96075 0.003739 -0.008842 -0.009801
C 7.34705 3.43754 19.96682 0.00397 0.003486 -0.007262
C 8.08525 4.71084 19.9759 -0.002616 -0.013307 -0.002778
C 5.14244 7.25743 19.98512 0.006205 -0.013537 0.002653
C 5.88064 5.98413 19.9758 -0.006605 -0.007863 -0.002921
C 7.34705 5.98413 19.9789 -0.004031 0.008717 -0.000971
C 8.08525 7.25743 19.98659 -0.010267 -0.014814 0.004977
C 5.14244 9.80403 19.98319 -0.019106 0.000345 0.001496
C 5.88064 8.53073 19.98733 -0.006088 0.003576 0.004654
C 7.34705 8.53073 19.98755 0.006576 0.008032 0.005449
C 8.08525 9.80403 19.9833 0.007192 -0.000407 0.002181
C 5.14244 12.35062 19.98259 -0.018941 0.002044 0.000965
C 5.88064 11.07732 19.98489 0.010908 -0.001661 0.002363
C 7.34705 11.07732 19.98474 -0.005308 0.001246 0.002531
C 8.08525 12.35062 19.98232 0.005631 -0.003438 0.001472
C 5.14244 14.89722 19.98702 -0.000956 0.003611 0.004109
C 5.88064 13.62392 19.98804 -0.004921 -0.005933 0.005223
C 7.34705 13.62392 19.98806 0.004208 -0.006261 0.005909
C 8.08525 14.89722 19.98825 -0.004428 0.005817 0.006176
C 4.21573 13.61749 28.13298 -0.004688 0.005333 0.001205
C 4.99751 12.51675 27.97521 0.01002 -0.00537 -0.001316
C 1.03643 12.52382 23.34145 0.031575 -0.015292 -0.001285
C 4.75808 11.35825 28.78137 -0.003033 -0.000404 0.004429
C 2.39362 12.08148 23.0895 -0.022362 -0.056155 -0.000163
C 5.61712 12.14211 26.65659 0.004791 0.004459 -0.001738
C 4.56003 10.66953 24.28504 0.02475 0.00627 0.000816
C 4.126 13.82619 25.64577 -0.007047 0.013952 -0.004481
C 0.81354 13.62547 24.18062 0.001099 0.033715 0.001951
C 3.21688 13.89834 24.51795 0.022119 0.022949 0.003334
C 1.03647 10.193 23.34099 0.015687 0.005288 -0.001239
C 4.94062 12.7566 25.50458 0.004714 -0.015798 0.003755
C 3.47008 12.77254 23.6653 0.018139 0.009058 -0.000288
C 8.66045 13.82623 27.63373 0.002416 0.001917 -0.004611
C 7.84576 12.75663 27.77405 0.007126 -0.006433 0.000233
C 3.47009 9.9442 23.66474 0.025708 -0.013586 1.9e-05
C 0.75117 13.89822 28.76194 -0.008938 -0.004991 0.001213
C 7.16928 12.14216 26.62176 0.000286 0.000869 -0.000849
C 2.39364 10.63534 23.089 -0.015112 0.0714 -0.000233
C 4.55999 12.04711 24.28521 0.031398 -0.004364 -0.000373
C 3.85635 14.48526 26.9524 0.008812 0.005299 0.001851
C 2.40419 14.69445 27.16285 -0.009724 -0.004574 0.003307
C 8.5708 13.61751 25.14626 -0.001531 0.009995 -0.003445
C 0.81358 9.09137 24.18042 -0.001363 -0.026323 0.00128
C 0.1118 14.48522 26.32672 -0.009329 0.004937 0.002901
C 1.92708 14.31407 24.76937 -0.011369 0.012908 -0.002515
C 1.56398 14.69436 26.11622 0.008043 -0.005027 -0.001807
C 1.92709 8.40269 24.7692 -0.002929 -0.016406 -0.001947
C 3.76451 11.35823 29.7756 0.001686 9.9e-05 -0.001211
C 7.78889 12.51681 25.30314 -0.016812 -0.004672 0.001184
C 8.62521 1.45934 25.14592 -0.001544 -0.013551 0.001602
C 0.5887 2.55997 25.30312 0.016336 0.009867 -0.004091
C 5.44601 2.55303 29.93947 0.006654 -0.005649 0.000249
C 0.34924 3.71854 24.49602 0.011508 -0.003784 0.005448
C 6.80322 2.99539 30.19889 0.019281 -0.003639 -0.000724
C 1.20826 2.93458 26.62179 0.000309 -0.001216 -0.002721
C 0.15112 4.40723 28.99403 -0.002011 -0.001478 -0.000951
C 8.53554 1.25056 27.63361 -0.00291 -0.003024 -0.004848
C 5.22307 1.45137 29.09859 0.012855 -0.002699 -0.000324
C 7.62638 1.17847 28.76181 0.008897 0.00413 0.001604
C 5.44599 4.88384 29.9395 0.00571 0.00546 0.000305
C 0.5318 2.32009 27.77399 -0.008445 0.006296 0.002477
C 7.87964 2.30432 29.61584 0.00657 0.005922 -0.001218
C 4.25143 1.25049 25.64544 0.008464 -0.015349 -0.001352
C 3.43687 2.32013 25.50457 -0.004867 0.015778 0.00071
C 7.87962 5.13257 29.61589 0.006568 -0.004926 -0.001104
C 5.16064 1.17854 24.51756 -0.017649 -0.021194 0.000976
C 2.76041 2.93457 26.65659 -0.00449 -0.004341 0.001823
C 6.80318 4.4415 30.19891 0.019975 0.004744 -0.00084
C 0.15116 3.02965 28.99406 -0.001002 0.001566 -0.001999
C 8.26573 0.59159 26.32659 0.009164 -0.005029 6.6e-05
C 6.81356 0.38246 26.11597 -0.009978 0.007338 -0.002216
C 4.16184 1.45927 28.13287 0.004692 -0.004993 0.001284
C 5.22305 5.98554 29.09866 0.011949 0.003335 -0.000339
C 4.52117 0.59149 26.95228 -0.007082 -0.003584 4.1e-05
C 6.33657 0.76268 28.50967 -0.001194 0.003621 -0.002393
C 5.97336 0.38235 27.16263 0.009471 0.003183 0.003314
C 6.33655 6.6742 28.50977 -0.000597 -0.003824 -0.002219
C 8.17408 3.7186 23.50299 0.014905 -0.002414 -0.003607
C 3.37999 2.55995 27.97525 -0.010048 0.005012 -0.001858
C 8.57079 9.09912 25.14584 0.005746 -0.014901 -0.003573
C 7.78884 10.19976 25.3029 -0.021438 0.014034 0.002436
C 2.93152 10.19281 29.93942 -0.006544 -0.005444 0.000305
C 8.02829 11.35832 24.49616 -0.009904 -0.00439 -0.004083
C 1.57432 10.63518 30.19886 -0.019544 -0.003873 -0.000755
C 7.16927 10.57437 26.62175 0.000191 -0.001343 -0.005449
C 8.22642 12.04702 28.99402 0.001889 -0.001824 -0.001056
C 8.66046 8.89034 27.63355 0.003023 -0.003348 -0.00608
C 3.15447 9.09115 29.09855 -0.012436 -0.002671 -0.000887
C 0.75116 8.81826 28.76176 -0.009331 0.004513 0.00157
C 2.93155 12.52363 29.93953 -0.005407 0.004603 0.000441
C 7.84574 9.95988 27.77391 0.008291 0.006482 0.003416
C 0.4979 9.94411 29.61578 -0.005964 0.005802 -0.001152
C 4.12611 8.89028 25.64532 -0.009728 -0.015619 0.001033
C 4.94067 9.95992 25.50444 0.006305 0.015874 -0.001187
C 0.49792 12.77236 29.6159 -0.007404 -0.005097 -0.000982
C 3.2169 8.81833 24.51758 0.014956 -0.025695 0.00068
C 5.61713 10.57436 26.65647 0.004191 -0.004624 0.00395
C 1.57436 12.08129 30.19892 -0.019751 0.004121 -0.000699
C 8.22638 10.66944 28.99399 0.00092 0.001846 -0.002127
C 0.11181 8.23138 26.32647 -0.009614 -0.004919 0.003255
C 1.56398 8.02224 26.11593 0.009853 0.007665 -0.001494
C 4.2157 9.09905 28.1328 -0.004979 -0.004637 0.002615
C 3.15449 13.62533 29.09872 -0.011213 0.003349 -0.00055
C 3.85636 8.23128 26.95226 0.00704 -0.003116 -0.002439
C 2.04096 8.40247 28.50962 0.001562 0.003335 -0.001953
C 2.40418 8.02214 27.16261 -0.009633 0.002931 0.002806
C 2.04099 14.31399 28.50987 0.000893 -0.002818 -0.002119
C 0.20346 11.35839 23.50257 -0.022787 -0.001516 0.000191
C 4.99755 10.19974 27.9752 0.010189 0.005098 -0.003375
C 4.16181 5.9777 28.13294 0.004957 0.005619 5.6e-05
C 3.38003 4.87696 27.97522 -0.010144 -0.005592 -0.000238
C 7.34111 4.88403 23.34061 -0.02039 -0.006867 -0.000233
C 3.61946 3.71846 28.78144 0.00244 0.000154 0.003218
C 5.98392 4.4417 23.08859 0.018702 -0.044744 -0.000329
C 2.76042 4.50232 26.65665 -0.004792 0.004308 -0.002867
C 3.81751 3.02974 24.28528 -0.023279 0.008943 0.000289
C 4.25154 6.1864 25.64569 0.007059 0.01417 -0.005293
C 7.564 5.98568 24.18049 -0.009553 0.027705 -0.002379
C 5.16066 6.25855 24.5177 -0.025341 0.012725 0.002491
C 7.34107 2.55321 23.34083 -0.011543 -0.003014 -0.000147
C 3.43691 5.11681 25.50461 -0.002875 -0.016331 0.004416
C 4.90746 5.13276 23.66514 -0.022908 0.013454 -0.000107
C 8.53555 6.18645 27.63368 -0.00269 0.00167 -0.00332
C 0.53177 5.11685 27.77408 -0.007049 -0.006468 -0.000835
C 4.90745 2.30441 23.6649 -0.024249 -0.00926 0.000177
C 7.62637 6.25844 28.7619 0.008606 -0.0042 0.000881
C 1.20826 4.50237 26.62175 0.000335 0.001356 0.001988
C 5.9839 2.99555 23.08863 0.014042 0.051041 -0.000274
C 3.81755 4.40733 24.28531 -0.027172 -0.00577 -0.000779
C 4.52118 6.84548 26.95229 -0.008734 0.005856 0.003261
C 5.97334 7.05466 27.16273 0.0099 -0.004216 0.003769
C 8.6252 5.97772 25.14609 0.002548 0.008476 0.001932
C 7.56396 1.45158 24.18054 -0.00572 -0.019865 -0.002393
C 8.26574 6.84544 26.32668 0.008212 0.004182 -0.00036
C 6.45046 6.67429 24.76912 0.020486 0.016225 0.000123
C 6.81356 7.05457 26.11611 -0.009262 -0.00625 -0.00375
C 6.45045 0.76291 24.76915 0.008177 -0.018382 -0.000222
C 4.61303 3.71844 29.77564 -0.001405 0.000306 -0.000877
C 0.58864 4.87702 25.30327 0.013652 -0.002692 -0.005606
168
energy=-1515.04451733 config_type=nep2xyz pbc="T T T" virial="-38.289212472179756 0.0 0.0 0.0 -43.4890864128803 0.00634951451597753 0.0 0.00634951451597753 -4.944715966641256" 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 19.98486 -0.008602 0.001016 0.003424
C 1.47141 0.89094 19.98805 -0.005028 0.004764 0.006108
C 2.93782 0.89094 19.98711 0.007903 0.007005 0.004599
C 3.67602 2.16424 19.98209 0.018563 -0.00279 0.000789
C 0.73321 4.71084 19.98389 -0.00651 -0.001018 0.00267
C 1.47141 3.43754 19.98605 0.003838 0.001019 0.003564
C 2.93782 3.43754 19.98461 -0.006476 -0.001643 0.002014
C 3.67602 4.71084 19.98133 0.021309 0.001171 6.1e-05
C 0.73321 7.25743 19.98832 0.004773 0.007285 0.006269
C 1.47141 5.98413 19.98861 -0.003733 -0.006636 0.006587
C 2.93782 5.98413 19.98781 0.005911 -0.00538 0.005054
C 3.67602 7.25743 19.98701 0.000414 0.00292 0.003917
C 0.73321 9.80403 19.97715 -0.001339 0.013911 -0.00181
C 1.47141 8.53073 19.98345 0.001313 0.000456 0.001896
C 2.93782 8.53073 19.98199 0.004024 0.014824 0.000452
C 3.67602 9.80403 19.97225 0.003919 0.00312 -0.004254
C 0.73321 12.35062 19.9744 0.001903 -0.014785 -0.003793
C 1.47141 11.07732 19.96528 -0.009073 0.003032 -0.00802
C 2.93782 11.07732 19.96175 0.004888 -0.007243 -0.009352
C 3.67602 12.35062 19.96924 0.007776 0.004742 -0.006196
C 0.73321 14.89722 19.98663 0.009879 -0.014035 0.005208
C 1.47141 13.62392 19.97851 0.004977 0.007447 -0.001208
C 2.93782 13.62392 19.97667 0.003895 -0.006769 -0.002512
C 3.67602 14.89722 19.98522 -0.005249 -0.012879 0.00272
C 5.14244 2.16424 19.97225 -0.003919 0.00312 -0.004254
C 5.88064 0.89094 19.98199 -0.004024 0.014824 0.000452
C 7.34705 0.89094 19.98345 -0.001313 0.000456 0.001896
C 8.08525 2.16424 19.97715 0.001339 0.013911 -0.00181
C 5.14244 4.71084 19.96924 -0.007776 0.004742 -0.006196
C 5.88064 3.43754 19.96175 -0.004888 -0.007243 -0.009352
C 7.34705 3.43754 19.96528 0.009073 0.003032 -0.00802
C 8.08525 4.71084 19.9744 -0.001903 -0.014785 -0.003793
C 5.14244 7.25743 19.98522 0.005249 -0.012879 0.00272
C 5.88064 5.98413 19.97667 -0.003895 -0.006769 -0.002512
C 7.34705 5.98413 19.97851 -0.004977 0.007447 -0.001208
C 8.08525 7.25743 19.98663 -0.009879 -0.014035 0.005208
C 5.14244 9.80403 19.98209 -0.018563 -0.00279 0.000789
C 5.88064 8.53073 19.98711 -0.007903 0.007005 0.004599
C 7.34705 8.53073 19.98805 0.005028 0.004764 0.006108
C 8.08525 9.80403 19.98486 0.008602 0.001016 0.003424
C 5.14244 12.35062 19.98133 -0.021309 0.001171 6.1e-05
C 5.88064 11.07732 19.98461 0.006476 -0.001643 0.002014
C 7.34705 11.07732 19.98605 -0.003838 0.001019 0.003564
C 8.08525 12.35062 19.98389 0.00651 -0.001018 0.00267
C 5.14244 14.89722 19.98701 -0.000414 0.00292 0.003917
C 5.88064 13.62392 19.98781 -0.005911 -0.00538 0.005054
C 7.34705 13.62392 19.98861 0.003733 -0.006636 0.006587
C 8.08525 14.89722 19.98832 -0.004773 0.007285 0.006269
C 4.43619 13.61749 28.13298 -0.004819 0.005613 0.000547
C 5.21797 12.51675 27.97524 0.010176 -0.005462 -0.0007
C 1.25689 12.52382 23.34095 0.026624 -0.010176 -0.000673
C 4.97854 11.35825 28.78142 -0.002824 -0.000107 0.004119
C 2.61408 12.08148 23.08906 -0.02038 -0.050669 -0.000221
C 5.83758 12.14211 26.65666 0.004958 0.004315 -0.002932
C 4.78049 10.66953 24.28522 0.023274 0.007579 0.000568
C 4.34646 13.82619 25.64577 -0.00699 0.013701 -0.006018
C 1.034 13.62547 24.18054 0.005863 0.031005 -0.000415
C 3.43734 13.89834 24.51784 0.024766 0.01779 0.003492
C 1.25693 10.193 23.34083 0.013524 -0.000223 -0.000608
C 5.16108 12.7566 25.50463 0.003884 -0.015702 0.004899
C 3.69054 12.77254 23.6653 0.019739 0.010488 -0.00024
C 0.06245 13.82623 27.63371 0.002503 0.001844 -0.004245
C 8.06623 12.75663 27.77406 0.007186 -0.006498 -0.000428
C 3.69055 9.9442 23.66489 0.024327 -0.010729 8.6e-05
C 0.97163 13.89822 28.76191 -0.008715 -0.004648 0.001237
C 7.38974 12.14216 26.62175 -1.1e-05 0.001036 0.001084
C 2.6141 10.63534 23.08882 -0.013866 0.061691 -0.000242
C 4.78045 12.04711 24.28532 0.028785 -0.004889 -0.000763
C 4.07682 14.48526 26.95236 0.00886 0.005776 0.003182
C 2.62465 14.69445 27.1628 -0.010086 -0.004431 0.003289
C 8.79126 13.61751 25.14616 -0.002025 0.008709 -0.000429
C 1.03404 9.09137 24.18046 0.002582 -0.02297 -0.000783
C 0.33226 14.48522 26.32669 -0.008777 0.00462 0.001296
C 2.14754 14.31407 24.76925 -0.017045 0.01391 -0.001473
C 1.78444 14.69436 26.11616 0.008727 -0.005527 -0.002239
C 2.14755 8.40269 24.76918 -0.006171 -0.016843 -0.001451
C 3.98497 11.35823 29.77564 0.001616 0.000185 -0.001122
C 8.00935 12.51681 25.3032 -0.015147 -0.003615 -0.002821
C 0.02721 1.45934 25.14586 -0.004 -0.014003 -0.000669
C 0.80916 2.55997 25.303 0.019102 0.012295 -0.001211
C 5.66647 2.55303 29.93946 0.006635 -0.005611 0.000289
C 0.5697 3.71854 24.49603 0.009467 -0.004221 0.001501
C 7.02368 2.99539 30.19887 0.019548 -0.003869 -0.000735
C 1.42873 2.93458 26.62176 5.3e-05 -0.001193 -0.004437
C 0.37158 4.40723 28.99402 -0.001981 -0.001689 -0.000957
C 8.756 1.25056 27.63358 -0.00293 -0.003315 -0.0061
C 5.44353 1.45137 29.09858 0.012742 -0.002706 -0.000562
C 7.84684 1.17847 28.76178 0.009122 0.004454 0.00199
C 5.66645 4.88384 29.93953 0.005602 0.005072 0.000411
C 0.75226 2.32009 27.77393 -0.00862 0.006512 0.003556
C 8.1001 2.30432 29.6158 0.006274 0.005881 -0.00124
C 4.47189 1.25049 25.64541 0.009011 -0.015323 -0.00049
C 3.65733 2.32013 25.50455 -0.005633 0.015486 -0.000131
C 8.10008 5.13257 29.61589 0.007019 -0.005068 -0.001059
C 5.3811 1.17854 24.51759 -0.016921 -0.023519 0.000983
C 2.98087 2.93457 26.65656 -0.004519 -0.004355 0.00322
C 7.02364 4.4415 30.19891 0.02001 0.004555 -0.000777
C 0.37162 3.02965 28.99402 -0.000891 0.001671 -0.002253
C 8.48619 0.59159 26.32652 0.009406 -0.005013 0.001728
C 7.03402 0.38246 26.11594 -0.010141 0.007419 -0.000859
C 4.3823 1.45927 28.13285 0.004852 -0.004857 0.002069
C 5.44351 5.98554 29.0987 0.011702 0.003396 -0.000422
C 4.74163 0.59149 26.95228 -0.00708 -0.003384 -0.001031
C 6.55703 0.76268 28.50965 -0.001378 0.003417 -0.002303
C 6.19382 0.38235 27.16263 0.00997 0.002971 0.002462
C 6.55701 6.6742 28.50983 -0.000695 -0.003258 -0.002239
C 8.39454 3.7186 23.50272 0.021009 -0.002067 -0.002032
C 3.60045 2.55995 27.97525 -0.010328 0.005011 -0.002883
C 8.79125 9.09912 25.14586 0.004 -0.014003 -0.000669
C 8.0093 10.19976 25.303 -0.019102 0.012295 -0.001211
C 3.15199 10.19281 29.93946 -0.006635 -0.005611 0.000289
C 8.24876 11.35832 24.49603 -0.009467 -0.004221 0.001501
C 1.79478 10.63518 30.19887 -0.019548 -0.003869 -0.000735
C 7.38974 10.57437 26.62176 -5.3e-05 -0.001193 -0.004437
C 8.44688 12.04702 28.99402 0.001981 -0.001689 -0.000957
C 0.06246 8.89034 27.63358 0.00293 -0.003315 -0.0061
C 3.37493 9.09115 29.09858 -0.012742 -0.002706 -0.000562
C 0.97162 8.81826 28.76178 -0.009122 0.004454 0.00199
C 3.15201 12.52363 29.93953 -0.005602 0.005072 0.000411
C 8.0662 9.95988 27.77393 0.00862 0.006512 0.003556
C 0.71836 9.94411 29.6158 -0.006274 0.005881 -0.00124
C 4.34657 8.89028 25.64541 -0.009011 -0.015323 -0.00049
C 5.16113 9.95992 25.50455 0.005633 0.015486 -0.000131
C 0.71838 12.77236 29.61589 -0.007019 -0.005068 -0.001059
C 3.43736 8.81833 24.51759 0.016921 -0.023519 0.000983
C 5.83759 10.57436 26.65656 0.004519 -0.004355 0.00322
C 1.79482 12.08129 30.19891 -0.02001 0.004555 -0.000777
C 8.44684 10.66944 28.99402 0.000891 0.001671 -0.002253
C 0.33227 8.23138 26.32652 -0.009406 -0.005013 0.001728
C 1.78444 8.02224 26.11594 0.010141 0.007419 -0.000859
C 4.43616 9.09905 28.13285 -0.004852 -0.004857 0.002069
C 3.37495 13.62533 29.0987 -0.011702 0.003396 -0.000422
C 4.07683 8.23128 26.95228 0.00708 -0.003384 -0.001031
C 2.26143 8.40247 28.50965 0.001378 0.003417 -0.002303
C 2.62464 8.02214 27.16263 -0.00997 0.002971 0.002462
C 2.26145 14.31399 28.50983 0.000695 -0.003258 -0.002239
C 0.42392 11.35839 23.50272 -0.021009 -0.002067 -0.002032
C 5.21801 10.19974 27.97525 0.010328 0.005011 -0.002883
C 4.38227 5.9777 28.13298 0.004819 0.005613 0.000547
C 3.60049 4.87696 27.97524 -0.010176 -0.005462 -0.0007
C 7.56157 4.88403 23.34095 -0.026624 -0.010176 -0.000673
C 3.83992 3.71846 28.78142 0.002824 -0.000107 0.004119
C 6.20438 4.4417 23.08906 0.02038 -0.050669 -0.000221
C 2.98088 4.50232 26.65666 -0.004958 0.004315 -0.002932
C 4.03797 3.02974 24.28522 -0.023274 0.007579 0.000568
C 4.472 6.1864 25.64577 0.00699 0.013701 -0.006018
C 7.78446 5.98568 24.18054 -0.005863 0.031005 -0.000415
C 5.38112 6.25855 24.51784 -0.024766 0.01779 0.003492
C 7.56153 2.55321 23.34083 -0.013524 -0.000223 -0.000608
C 3.65738 5.11681 25.50463 -0.003884 -0.015702 0.004899
C 5.12792 5.13276 23.6653 -0.019739 0.010488 -0.00024
C 8.75601 6.18645 27.63371 -0.002503 0.001844 -0.004245
C 0.75224 5.11685 27.77406 -0.007186 -0.006498 -0.000428
C 5.12791 2.30441 23.66489 -0.024327 -0.010729 8.6e-05
C 7.84683 6.25844 28.76191 0.008715 -0.004648 0.001237
C 1.42872 4.50237 26.62175 1.1e-05 0.001036 0.001084
C 6.20436 2.99555 23.08882 0.013866 0.061691 -0.000242
C 4.03801 4.40733 24.28532 -0.028785 -0.004889 -0.000763
C 4.74165 6.84548 26.95236 -0.00886 0.005776 0.003182
C 6.19381 7.05466 27.1628 0.010086 -0.004431 0.003289
C 0.0272 5.97772 25.14616 0.002025 0.008709 -0.000429
C 7.78442 1.45158 24.18046 -0.002582 -0.02297 -0.000783
C 8.4862 6.84544 26.32669 0.008777 0.00462 0.001296
C 6.67092 6.67429 24.76925 0.017045 0.01391 -0.001473
C 7.03402 7.05457 26.11616 -0.008727 -0.005527 -0.002239
C 6.67091 0.76291 24.76918 0.006171 -0.016843 -0.001451
C 4.83349 3.71844 29.77564 -0.001616 0.000185 -0.001122
C 0.80911 4.87702 25.3032 0.015147 -0.003615 -0.002821
168
energy=-1515.0447993 config_type=nep2xyz pbc="T T T" virial="-38.27941487693325 0.024094515348709433 0.0030275830804661072 0.024094515348709433 -43.48576448144479 0.006181315455951635 0.0030275830804661072 0.006181315455951635 -4.951485978807298" 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 19.9833 -0.007192 -0.000407 0.002181
C 1.47141 0.89094 19.98755 -0.006576 0.008032 0.005449
C 2.93782 0.89094 19.98733 0.006088 0.003576 0.004654
C 3.67602 2.16424 19.98319 0.019106 0.000345 0.001496
C 0.73321 4.71084 19.98232 -0.005631 -0.003438 0.001472
C 1.47141 3.43754 19.98474 0.005308 0.001246 0.00253
C 2.93782 3.43754 19.98489 -0.010908 -0.001661 0.002363
C 3.67602 4.71084 19.98259 0.018941 0.002044 0.000965
C 0.73321 7.25743 19.98825 0.004428 0.005816 0.006175
C 1.47141 5.98413 19.98806 -0.004208 -0.006261 0.005909
C 2.93782 5.98413 19.98804 0.004921 -0.005933 0.005223
C 3.67602 7.25743 19.98702 0.000956 0.003611 0.004109
C 0.73321 9.80403 19.97868 0.002224 0.01071 -0.000825
C 1.47141 8.53073 19.98384 -9.4e-05 0.002831 0.002184
C 2.93782 8.53073 19.98148 0.004687 0.015347 0.000339
C 3.67602 9.80403 19.97085 0.00384 -0.000188 -0.004947
C 0.73321 12.35062 19.9759 0.002616 -0.013307 -0.002778
C 1.47141 11.07732 19.96682 -0.00397 0.003486 -0.007261
C 2.93782 11.07732 19.96075 -0.003739 -0.008842 -0.009801
C 3.67602 12.35062 19.9674 0.008088 0.012211 -0.007035
C 0.73321 14.89722 19.98659 0.010267 -0.014814 0.004977
C 1.47141 13.62392 19.9789 0.004031 0.008717 -0.000971
C 2.93782 13.62392 19.9758 0.006605 -0.007863 -0.002921
C 3.67602 14.89722 19.98512 -0.006205 -0.013537 0.002653
C 5.14244 2.16424 19.97416 -0.002944 0.007134 -0.00348
C 5.88064 0.89094 19.98272 -0.004179 0.012559 0.000831
C 7.34705 0.89094 19.98306 -0.001611 -0.000662 0.001614
C 8.08525 2.16424 19.97543 0.00532 0.014181 -0.002791
C 5.14244 4.71084 19.97162 -0.005668 -0.003723 -0.00514
C 5.88064 3.43754 19.96333 -0.012514 -0.005233 -0.008551
C 7.34705 3.43754 19.96398 0.01135 0.002105 -0.008368
C 8.08525 4.71084 19.97264 -0.000147 -0.013509 -0.004544
C 5.14244 7.25743 19.98546 0.005178 -0.012323 0.00306
C 5.88064 5.98413 19.97781 -0.000846 -0.004017 -0.001971
C 7.34705 5.98413 19.97814 -0.005435 0.004747 -0.001363
C 8.08525 7.25743 19.98662 -0.009595 -0.012621 0.005267
C 5.14244 9.80403 19.98106 -0.016783 -0.005868 0.000243
C 5.88064 8.53073 19.98689 -0.010423 0.010651 0.004676
C 7.34705 8.53073 19.98842 0.004009 0.001494 0.006639
C 8.08525 9.80403 19.98609 0.009418 0.002351 0.004499
C 5.14244 12.35062 19.98007 -0.021087 0.000436 -0.000673
C 5.88064 11.07732 19.98423 0.00167 -0.00105 0.001593
C 7.34705 11.07732 19.98697 -0.00239 0.000182 0.004383
C 8.08525 12.35062 19.9851 0.007946 0.001196 0.003649
C 5.14244 14.89722 19.98711 0.001383 0.0031 0.003922
C 5.88064 13.62392 19.98753 -0.006942 -0.005552 0.004872
C 7.34705 13.62392 19.98897 0.003171 -0.006555 0.006835
C 8.08525 14.89722 19.98832 -0.005466 0.008281 0.006259
C 4.65665 13.61749 28.13294 -0.004946 0.005611 5e-05
C 5.43843 12.51675 27.97522 0.010142 -0.00559 -0.000239
C 1.47735 12.52382 23.34061 0.020377 -0.006855 -0.000233
C 5.199 11.35825 28.78144 -0.00244 0.000171 0.00321
C 2.83454 12.08148 23.08859 -0.01869 -0.044754 -0.00033
C 6.05804 12.14211 26.65665 0.004791 0.004307 -0.002829
C 5.00095 10.66953 24.28528 0.02328 0.008957 0.000284
C 4.56692 13.82619 25.64569 -0.007044 0.014146 -0.005271
C 1.25446 13.62547 24.18049 0.009548 0.027692 -0.002379
C 3.6578 13.89834 24.5177 0.025339 0.012719 0.002484
C 1.47739 10.193 23.34083 0.011552 -0.003034 -0.000148
C 5.38155 12.7566 25.50461 0.002838 -0.016298 0.004358
C 3.911 12.77254 23.66514 0.022913 0.013468 -0.000109
C 0.28291 13.82623 27.63368 0.00267 0.001652 -0.003328
C 8.28669 12.75663 27.77408 0.007064 -0.006434 -0.000828
C 3.91101 9.9442 23.6649 0.024237 -0.009261 0.000176
C 1.19209 13.89822 28.7619 -0.008605 -0.004196 0.000887
C 7.6102 12.14216 26.62175 -0.000322 0.001339 0.001979
C 2.83456 10.63534 23.08863 -0.014031 0.051052 -0.000273
C 5.00091 12.04711 24.28531 0.027176 -0.005776 -0.000754
C 4.29728 14.48526 26.95229 0.008723 0.005864 0.003257
C 2.84512 14.69445 27.16273 -0.009895 -0.004222 0.003769
C 0.19326 13.61751 25.14609 -0.002545 0.008481 0.001933
C 1.25451 9.09137 24.18054 0.005708 -0.019852 -0.002391
C 0.55272 14.48522 26.32668 -0.008214 0.004183 -0.000357
C 2.368 14.31407 24.76912 -0.020469 0.016228 0.00012
C 2.0049 14.69436 26.11611 0.009258 -0.006245 -0.003744
C 2.36802 8.40269 24.76915 -0.008184 -0.0184 -0.000226
C 4.20544 11.35823 29.77564 0.001404 0.000293 -0.000875
C 8.22982 12.51681 25.30327 -0.013659 -0.002689 -0.005608
C 0.24767 1.45934 25.14584 -0.005761 -0.014916 -0.003576
C 1.02963 2.55997 25.3029 0.021452 0.014066 0.002441
C 5.88694 2.55303 29.93942 0.006566 -0.005466 0.000307
C 0.79017 3.71854 24.49616 0.009904 -0.004399 -0.004084
C 7.24414 2.99539 30.19886 0.019533 -0.003872 -0.000755
C 1.64919 2.93458 26.62175 -0.000193 -0.001351 -0.005461
C 0.59204 4.40723 28.99402 -0.001896 -0.001828 -0.001054
C 0.158 1.25056 27.63355 -0.003007 -0.003328 -0.006085
C 5.66399 1.45137 29.09855 0.012427 -0.002655 -0.000893
C 8.0673 1.17847 28.76176 0.009332 0.004501 0.00157
C 5.88691 4.88384 29.93953 0.0054 0.004615 0.000443
C 0.97272 2.32009 27.7739 -0.008298 0.00647 0.003426
C 8.32056 2.30432 29.61578 0.005955 0.005805 -0.001151
C 4.69235 1.25049 25.64533 0.009748 -0.015619 0.000992
C 3.87779 2.32013 25.50444 -0.00631 0.015878 -0.001184
C 8.32054 5.13257 29.6159 0.007421 -0.005112 -0.00098
C 5.60156 1.17854 24.51758 -0.014952 -0.025703 0.000703
C 3.20133 2.93457 26.65647 -0.004199 -0.004608 0.003962
C 7.2441 4.4415 30.19892 0.019743 0.004119 -0.0007
C 0.59208 3.02965 28.99399 -0.000908 0.001878 -0.00213
C 8.70665 0.59159 26.32647 0.00963 -0.004925 0.003259
C 7.25448 0.38246 26.11593 -0.009867 0.007652 -0.001489
C 4.60276 1.45927 28.1328 0.005003 -0.004664 0.002627
C 5.66397 5.98554 29.09872 0.01121 0.003342 -0.000556
C 4.9621 0.59149 26.95226 -0.007044 -0.003125 -0.002432
C 6.7775 0.76268 28.50962 -0.001576 0.003332 -0.001947
C 6.41428 0.38235 27.16261 0.00964 0.002936 0.002808
C 6.77747 6.6742 28.50987 -0.000885 -0.002811 -0.002116
C 8.615 3.7186 23.50257 0.022784 -0.001515 0.000191
C 3.82091 2.55995 27.9752 -0.0102 0.005129 -0.003386
C 0.19325 9.09912 25.14592 0.001529 -0.013535 0.001603
C 8.22976 10.19976 25.30312 -0.016322 0.009836 -0.004094
C 3.37245 10.19281 29.93947 -0.006632 -0.005628 0.000248
C 8.46922 11.35832 24.49602 -0.011509 -0.003775 0.005452
C 2.01525 10.63518 30.19889 -0.019293 -0.003639 -0.000724
C 7.6102 10.57437 26.62179 -0.000312 -0.001207 -0.002715
C 8.66734 12.04702 28.99403 0.002004 -0.001474 -0.000953
C 0.28292 8.89034 27.63361 0.002925 -0.003046 -0.004849
C 3.59539 9.09115 29.09859 -0.012864 -0.002715 -0.00032
C 1.19208 8.81826 28.76181 -0.008895 0.004143 0.001606
C 3.37247 12.52363 29.9395 -0.005718 0.005448 0.000304
C 8.28666 9.95988 27.77399 0.008441 0.006309 0.002476
C 0.93882 9.94411 29.61584 -0.006579 0.00592 -0.001218
C 4.56703 8.89028 25.64544 -0.008448 -0.015334 -0.001357
C 5.38159 9.95992 25.50457 0.004861 0.015769 0.000716
C 0.93885 12.77236 29.61589 -0.006551 -0.004911 -0.001105
C 3.65782 8.81833 24.51756 0.017658 -0.021194 0.00098
C 6.05805 10.57436 26.65659 0.004484 -0.004356 0.001811
C 2.01528 12.08129 30.19891 -0.019983 0.004747 -0.00084
C 8.6673 10.66944 28.99406 0.001013 0.001534 -0.001998
C 0.55273 8.23138 26.32659 -0.009149 -0.005023 6.5e-05
C 2.0049 8.02224 26.11597 0.009959 0.007349 -0.002215
C 4.65662 9.09905 28.13287 -0.004669 -0.004965 0.001279
C 3.59541 13.62533 29.09866 -0.011952 0.003343 -0.000334
C 4.29729 8.23128 26.95228 0.007078 -0.00358 4.2e-05
C 2.48189 8.40247 28.50967 0.00118 0.003623 -0.0024
C 2.84511 8.02214 27.16263 -0.009464 0.003177 0.003321
C 2.48191 14.31399 28.50977 0.000606 -0.00383 -0.002224
C 0.64438 11.35839 23.50299 -0.014907 -0.002414 -0.003608
C 5.43847 10.19974 27.97525 0.010038 0.004982 -0.001853
C 4.60273 5.9777 28.13298 0.004699 0.005341 0.001208
C 3.82095 4.87696 27.97521 -0.010025 -0.005373 -0.001318
C 7.78203 4.88403 23.34144 -0.031588 -0.015304 -0.001286
C 4.06038 3.71846 28.78137 0.003033 -0.000421 0.004439
C 6.42484 4.4417 23.0895 0.022374 -0.056146 -0.000163
C 3.20134 4.50232 26.65659 -0.004796 0.004455 -0.001749
C 4.25844 3.02974 24.28504 -0.02475 0.006255 0.000828
C 4.69246 6.1864 25.64577 0.007062 0.013977 -0.004496
C 8.00492 5.98568 24.18062 -0.001104 0.03373 0.001954
C 5.60159 6.25855 24.51795 -0.022122 0.022955 0.003343
C 7.78199 2.55321 23.34099 -0.015679 0.005308 -0.00124
C 3.87784 5.11681 25.50458 -0.004737 -0.015834 0.003768
C 5.34838 5.13276 23.6653 -0.018135 0.009044 -0.000289
C 0.15801 6.18645 27.63373 -0.002436 0.001937 -0.004607
C 0.9727 5.11685 27.77405 -0.007109 -0.006467 0.000226
C 5.34837 2.30441 23.66474 -0.025709 -0.013577 -1e-06
C 8.06729 6.25844 28.76194 0.008938 -0.004995 0.001209
C 1.64918 4.50237 26.62176 -0.000275 0.000886 -0.000839
C 6.42482 2.99555 23.089 0.015117 0.071385 -0.000229
C 4.25847 4.40733 24.28521 -0.031402 -0.004351 -0.000378
C 4.96211 6.84548 26.9524 -0.008821 0.005291 0.001858
C 6.41427 7.05466 27.16285 0.009729 -0.004568 0.003311
C 0.24767 5.97772 25.14626 0.001534 0.00999 -0.003446
C 8.00488 1.45158 24.18042 0.001348 -0.026343 0.00129
C 8.70666 6.84544 26.32672 0.009327 0.004937 0.002902
C 6.89138 6.67429 24.76937 0.011387 0.012905 -0.002515
C 7.25448 7.05457 26.11622 -0.008047 -0.005031 -0.001813
C 6.89137 0.76291 24.7692 0.002922 -0.016378 -0.001967
C 5.05395 3.71844 29.7756 -0.001688 0.000113 -0.001216
C 1.02957 4.87702 25.30314 0.016804 -0.004676 0.001182
168
energy=-1515.0455394 config_type=nep2xyz pbc="T T T" virial="-38.25868434278506 0.05386574897329282 0.005424419685835108 0.05386574897329282 -43.47760682703353 0.005844917335899845 0.005424419685835108 0.005844917335899845 -4.971039119535309" 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 19.98146 -0.005672 -0.002846 0.000806
C 1.47141 0.89094 19.98695 -0.008655 0.011204 0.004752
C 2.93782 0.89094 19.98756 0.005015 0.000713 0.004806
C 3.67602 2.16424 19.98436 0.017853 0.002711 0.00244
C 0.73321 4.71084 19.98039 -0.005312 -0.005335 0.000102
C 1.47141 3.43754 19.98312 0.007598 0.001752 0.001414
C 2.93782 3.43754 19.98513 -0.014586 -0.001793 0.002746
C 3.67602 4.71084 19.98388 0.015003 0.003174 0.001901
C 0.73321 7.25743 19.98809 0.004545 0.003312 0.005917
C 1.47141 5.98413 19.98734 -0.005178 -0.005329 0.005232
C 2.93782 5.98413 19.98823 0.00399 -0.007432 0.00558
C 3.67602 7.25743 19.98714 0.000766 0.005301 0.004436
C 0.73321 9.80403 19.98003 0.004094 0.005138 -5.9e-05
C 1.47141 8.53073 19.98426 -0.001612 0.005922 0.002578
C 2.93782 8.53073 19.98122 0.005581 0.014246 0.000417
C 3.67602 9.80403 19.96997 0.002879 -0.001192 -0.005393
C 0.73321 12.35062 19.97724 0.001437 -0.009752 -0.002009
C 1.47141 11.07732 19.96859 0.003266 0.004267 -0.00658
C 2.93782 11.07732 19.96038 -0.010887 -0.010086 -0.009944
C 3.67602 12.35062 19.96619 0.007143 0.017084 -0.007403
C 0.73321 14.89722 19.98654 0.01067 -0.015261 0.004699
C 1.47141 13.62392 19.97937 0.00296 0.008929 -0.000751
C 2.93782 13.62392 19.97528 0.008033 -0.008007 -0.003023
C 3.67602 14.89722 19.98517 -0.007231 -0.013556 0.002743
C 5.14244 2.16424 19.97645 -0.001486 0.010212 -0.00214
C 5.88064 0.89094 19.98358 -0.004866 0.009134 0.001413
C 7.34705 0.89094 19.98266 -0.000708 2.9e-05 0.001396
C 8.08525 2.16424 19.97352 0.007776 0.011793 -0.003696
C 5.14244 4.71084 19.97434 -0.002351 -0.011119 -0.003942
C 5.88064 3.43754 19.9654 -0.017497 -0.002774 -0.007638
C 7.34705 3.43754 19.96292 0.010555 0.000158 -0.008744
C 8.08525 4.71084 19.97061 0.002423 -0.009179 -0.005698
C 5.14244 7.25743 19.9858 0.00622 -0.012837 0.003615
C 5.88064 5.98413 19.97905 0.001613 0.000609 -0.0012
C 7.34705 5.98413 19.97771 -0.005208 0.000449 -0.001465
C 8.08525 7.25743 19.98653 -0.008887 -0.010694 0.005181
C 5.14244 9.80403 19.98009 -0.013932 -0.009516 -0.000202
C 5.88064 8.53073 19.98665 -0.012657 0.014245 0.004753
C 7.34705 8.53073 19.98865 0.002997 -0.001407 0.006872
C 8.08525 9.80403 19.987 0.009992 0.004218 0.005131
C 5.14244 12.35062 19.97883 -0.018338 -0.000329 -0.001233
C 5.88064 11.07732 19.98373 -0.002762 0.000652 0.001223
C 7.34705 11.07732 19.98754 -0.001437 -0.001104 0.004799
C 8.08525 12.35062 19.98598 0.009662 0.002648 0.004407
C 5.14244 14.89722 19.98728 0.004029 0.003392 0.004133
C 5.88064 13.62392 19.98716 -0.007997 -0.006232 0.004631
C 7.34705 13.62392 19.98914 0.001905 -0.006552 0.00702
C 8.08525 14.89722 19.98823 -0.005695 0.009206 0.006121
C 4.87711 13.61749 28.13287 -0.005156 0.005426 0.000125
C 5.6589 12.51675 27.97517 0.010062 -0.005638 -0.000479
C 1.69782 12.52382 23.34045 0.01432 -0.005664 -0.000165
C 5.41947 11.35825 28.7814 -0.002375 0.000408 0.002886
C 3.055 12.08148 23.08809 -0.016974 -0.040194 -0.000396
C 6.2785 12.14211 26.65657 0.00435 0.004464 -0.001936
C 5.22141 10.66953 24.28521 0.024428 0.00938 3.9e-05
C 4.78738 13.82619 25.64555 -0.007136 0.01463 -0.003664
C 1.47492 13.62547 24.18045 0.011081 0.02439 -0.003025
C 3.87826 13.89834 24.51756 0.023909 0.008697 0.001403
C 1.69785 10.193 23.34099 0.0106 -0.002595 -0.000111
C 5.60201 12.7566 25.50451 0.001843 -0.017052 0.003105
C 4.13147 12.77254 23.66486 0.026463 0.016887 -6.6e-05
C 0.50337 13.82623 27.63366 0.002952 0.001521 -0.002689
C 8.50715 12.75663 27.77409 0.006844 -0.006327 -0.000927
C 4.13147 9.9442 23.6648 0.024534 -0.008559 4.1e-05
C 1.41255 13.89822 28.76188 -0.008603 -0.003761 0.000438
C 7.83067 12.14216 26.62177 -0.000511 0.001745 0.001628
C 3.05502 10.63534 23.08841 -0.014802 0.041275 -0.000325
C 5.22137 12.04711 24.28517 0.026451 -0.005968 -0.000559
C 4.51774 14.48526 26.95222 0.00843 0.005627 0.002201
C 3.06558 14.69445 27.16268 -0.009496 -0.003988 0.004173
C 0.41372 13.61751 25.14605 -0.002229 0.009544 0.002222
C 1.47497 9.09137 24.18062 0.007059 -0.017462 -0.0026
C 0.77318 14.48522 26.32666 -0.007822 0.003727 -0.000959
C 2.58847 14.31407 24.76903 -0.020856 0.018752 0.000976
C 2.22536 14.69436 26.11606 0.009736 -0.00695 -0.00485
C 2.58848 8.40269 24.76915 -0.00823 -0.02001 0.000293
C 4.4259 11.35823 29.7756 0.001367 0.000435 -0.000893
C 8.45028 12.51681 25.30329 -0.013115 -0.002734 -0.005768
C 0.46814 1.45934 25.14587 -0.005606 -0.01556 -0.005098
C 1.25009 2.55997 25.3029 0.022121 0.014332 0.004312
C 6.1074 2.55303 29.93937 0.006413 -0.00524 0.000317
C 1.01063 3.71854 24.49634 0.013705 -0.004244 -0.007142
C 7.4646 2.99539 30.19886 0.019242 -0.003682 -0.000775
C 1.86965 2.93458 26.62175 -0.000192 -0.001721 -0.005525
C 0.8125 4.40723 28.99404 -0.001789 -0.001905 -0.001094
C 0.37846 1.25056 27.63354 -0.00301 -0.003338 -0.005641
C 5.88446 1.45137 29.0985 0.011896 -0.002526 -0.001264
C 8.28777 1.17847 28.76176 0.009402 0.004456 0.001103
C 6.10737 4.88384 29.93951 0.005187 0.004129 0.000487
C 1.19318 2.32009 27.77391 -0.00767 0.006311 0.002946
C 8.54103 2.30432 29.61577 0.005604 0.005602 -0.001041
C 4.91282 1.25049 25.6452 0.01079 -0.016282 0.002075
C 4.09825 2.32013 25.50427 -0.006952 0.017075 -0.001741
C 8.541 5.13257 29.61592 0.007624 -0.004972 -0.000872
C 5.82202 1.17854 24.51755 -0.012377 -0.027158 0.000208
C 3.42179 2.93457 26.65635 -0.003429 -0.005165 0.003847
C 7.46456 4.4415 30.19894 0.019261 0.003594 -0.000663
C 0.81254 3.02965 28.99399 -0.000926 0.002021 -0.00195
C 0.10865 0.59159 26.32646 0.00969 -0.004727 0.003932
C 7.47494 0.38246 26.11593 -0.009488 0.007969 -0.002837
C 4.82322 1.45927 28.13272 0.00513 -0.004455 0.002817
C 5.88443 5.98554 29.09871 0.010558 0.003267 -0.000788
C 5.18256 0.59149 26.9522 -0.006932 -0.002853 -0.003254
C 6.99796 0.76268 28.50959 -0.001766 0.003316 -0.001773
C 6.63474 0.38235 27.16258 0.008844 0.003024 0.003711
C 6.99793 6.6742 28.50989 -0.001086 -0.002671 -0.00165
C 0.017 3.7186 23.50265 0.019073 -0.000717 0.001413
C 4.04137 2.55995 27.9751 -0.009664 0.005239 -0.003366
C 0.41371 9.09912 25.14602 -0.000544 -0.013767 0.00188
C 8.45022 10.19976 25.30321 -0.014357 0.007716 -0.00445
C 3.59291 10.19281 29.93946 -0.006513 -0.005487 0.000201
C 8.68968 11.35832 24.49611 -0.014767 -0.003096 0.005705
C 2.23571 10.63518 30.1989 -0.01896 -0.003281 -0.000694
C 7.83066 10.57437 26.62182 -0.000491 -0.001308 -0.001876
C 0.06934 12.04702 28.99403 0.001956 -0.001251 -0.00103
C 0.50338 8.89034 27.63364 0.002957 -0.002913 -0.004104
C 3.81585 9.09115 29.09858 -0.012687 -0.002648 -0.00021
C 1.41254 8.81826 28.76184 -0.008691 0.003843 0.001266
C 3.59294 12.52363 29.93946 -0.005712 0.005631 0.000217
C 8.50712 9.95988 27.77405 0.00809 0.006061 0.001632
C 1.15928 9.94411 29.61587 -0.006874 0.005939 -0.00117
C 4.78749 8.89028 25.64542 -0.007979 -0.015228 -0.001866
C 5.60205 9.95992 25.50451 0.004011 0.016232 0.001265
C 1.15931 12.77236 29.61588 -0.006112 -0.00474 -0.001093
C 3.87828 8.81833 24.51752 0.01704 -0.019214 0.001075
C 6.27851 10.57436 26.65657 0.004169 -0.004543 0.000815
C 2.23574 12.08129 30.1989 -0.01985 0.004837 -0.00087
C 0.0693 10.66944 28.99409 0.001095 0.001433 -0.001753
C 0.77319 8.23138 26.32665 -0.009072 -0.005071 -0.000246
C 2.22536 8.02224 26.116 0.009674 0.007234 -0.003408
C 4.87708 9.09905 28.13286 -0.004569 -0.005013 0.000799
C 3.81587 13.62533 29.09861 -0.011857 0.00328 -0.000524
C 4.51775 8.23128 26.95225 0.007017 -0.003687 0.000601
C 2.70235 8.40247 28.50968 0.001048 0.003731 -0.002437
C 3.06557 8.02214 27.16262 -0.008759 0.003447 0.004088
C 2.70237 14.31399 28.50971 0.00056 -0.004258 -0.002049
C 0.86484 11.35839 23.50323 -0.00716 -0.002359 -0.003737
C 5.65893 10.19974 27.97521 0.009656 0.004942 -0.001367
C 4.82319 5.9777 28.13294 0.004612 0.004928 0.001785
C 4.04141 4.87696 27.97514 -0.009699 -0.005269 -0.001916
C 8.00249 4.88403 23.34201 -0.03413 -0.0202 -0.001623
C 4.28084 3.71846 28.78128 0.003147 -0.000735 0.004382
C 6.6453 4.4417 23.08984 0.024899 -0.059495 -0.00013
C 3.42181 4.50232 26.65647 -0.004276 0.004697 -0.000144
C 4.4789 3.02974 24.28481 -0.027279 0.005771 0.000923
C 4.91293 6.1864 25.64569 0.007534 0.014855 -0.002199
C 8.22539 5.98568 24.18074 0.003231 0.035031 0.003126
C 5.82205 6.25855 24.51801 -0.018131 0.027452 0.002487
C 8.00245 2.55321 23.34128 -0.017282 0.011892 -0.001629
C 4.0983 5.11681 25.50448 -0.00543 -0.01676 0.002028
C 5.56884 5.13276 23.66515 -0.018824 0.009409 -0.000191
C 0.37847 6.18645 27.63377 -0.00236 0.001959 -0.004415
C 1.19316 5.11685 27.77407 -0.006711 -0.006335 0.000693
C 5.56884 2.30441 23.66449 -0.028699 -0.017668 1.8e-05
C 8.28775 6.25844 28.76198 0.009141 -0.005154 0.000959
C 1.86964 4.50237 26.6218 -0.000385 0.000991 -0.002192
C 6.64528 2.99555 23.08914 0.017963 0.077578 -0.000234
C 4.47893 4.40733 24.28503 -0.034453 -0.004712 3.1e-05
C 5.18257 6.84548 26.9524 -0.008591 0.00463 0.000171
C 6.63473 7.05466 27.1629 0.008959 -0.00458 0.003462
C 0.46813 5.97772 25.14637 0.002104 0.011663 -0.004974
C 8.22534 1.45158 24.18044 0.004673 -0.029123 0.002357
C 0.10867 6.84544 26.32677 0.009715 0.005093 0.003582
C 7.11184 6.67429 24.76948 0.004736 0.013617 -0.002435
C 7.47495 7.05457 26.11628 -0.007513 -0.004871 -0.002097
C 7.11183 0.76291 24.7692 -0.000699 -0.017187 -0.001784
C 5.27441 3.71844 29.77554 -0.001704 -2.2e-05 -0.001153
C 1.25003 4.87702 25.30315 0.017305 -0.00521 0.003495
168
energy=-1515.04649156 config_type=nep2xyz pbc="T T T" virial="-38.23568312132652 0.08498257507808336 0.008452002766301215 0.08498257507808336 -43.47512589089815 0.004961872270763898 0.008452002766301215 0.004961872270763898 -4.992526549453617" 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 19.97944 -0.003965 -0.005888 -0.000553
C 1.47141 0.89094 19.98632 -0.010982 0.014173 0.003853
C 2.93782 0.89094 19.98785 0.004351 -0.001295 0.004857
C 3.67602 2.16424 19.98556 0.01504 0.004785 0.003261
C 0.73321 4.71084 19.9782 -0.005348 -0.006023 -0.001289
C 1.47141 3.43754 19.98127 0.01035 0.002161 0.000113
C 2.93782 3.43754 19.98533 -0.017293 -0.002643 0.002839
C 3.67602 4.71084 19.98515 0.01075 0.004447 0.002761
C 0.73321 7.25743 19.98795 0.004943 -0.000136 0.005446
C 1.47141 5.98413 19.98653 -0.006969 -0.003847 0.004333
C 2.93782 5.98413 19.98846 0.00312 -0.009144 0.005705
C 3.67602 7.25743 19.98739 0.000509 0.007318 0.004668
C 0.73321 9.80403 19.98133 0.004089 -0.000971 0.00085
C 1.47141 8.53073 19.98478 -0.002703 0.008828 0.002794
C 2.93782 8.53073 19.98119 0.006188 0.012226 0.000665
C 3.67602 9.80403 19.96951 0.00182 -8.4e-05 -0.005147
C 0.73321 12.35062 19.97852 -0.001127 -0.005531 -0.001062
C 1.47141 11.07732 19.97049 0.010996 0.005127 -0.005431
C 2.93782 11.07732 19.96049 -0.015617 -0.010777 -0.00919
C 3.67602 12.35062 19.96548 0.005147 0.018485 -0.007144
C 0.73321 14.89722 19.98655 0.010783 -0.015387 0.00424
C 1.47141 13.62392 19.97998 0.002205 0.008605 -0.000323
C 2.93782 13.62392 19.9751 0.00754 -0.00781 -0.002633
C 3.67602 14.89722 19.98538 -0.007601 -0.012774 0.002914
C 5.14244 2.16424 19.9789 0.000739 0.011289 -0.000766
C 5.88064 0.89094 19.98453 -0.005575 0.00537 0.002022
C 7.34705 0.89094 19.98227 0.001142 0.002719 0.00116
C 8.08525 2.16424 19.97151 0.007929 0.007419 -0.00449
C 5.14244 4.71084 19.97707 0.00145 -0.015774 -0.002274
C 5.88064 3.43754 19.96771 -0.017943 -0.000132 -0.00608
C 7.34705 3.43754 19.96196 0.006675 -0.00318 -0.008851
C 8.08525 4.71084 19.96832 0.004418 -0.001768 -0.006213
C 5.14244 7.25743 19.98621 0.007943 -0.014259 0.003922
C 5.88064 5.98413 19.98026 0.002968 0.006076 -0.000413
C 7.34705 5.98413 19.97718 -0.003953 -0.004847 -0.001561
C 8.08525 7.25743 19.98644 -0.007376 -0.008922 0.004767
C 5.14244 9.80403 19.97913 -0.010716 -0.012459 -0.000445
C 5.88064 8.53073 19.98642 -0.013931 0.01739 0.004596
C 7.34705 8.53073 19.98886 0.001389 -0.003242 0.006709
C 8.08525 9.80403 19.98773 0.009829 0.006814 0.005622
C 5.14244 12.35062 19.97751 -0.013369 -0.000928 -0.001526
C 5.88064 11.07732 19.98303 -0.006484 0.002977 0.00087
C 7.34705 11.07732 19.98786 -0.001101 -0.00296 0.004996
C 8.08525 12.35062 19.98667 0.011693 0.003341 0.00475
C 5.14244 14.89722 19.98752 0.006975 0.003379 0.004322
C 5.88064 13.62392 19.98671 -0.008932 -0.007077 0.004336
C 7.34705 13.62392 19.98922 -0.000376 -0.006983 0.006796
C 8.08525 14.89722 19.98815 -0.004846 0.00999 0.005656
C 5.09757 13.61749 28.13279 -0.005067 0.004949 0.00062
C 5.87936 12.51675 27.97508 0.00982 -0.006015 -0.000656
C 1.91828 12.52382 23.34046 0.009519 -0.007062 -0.001096
C 5.63993 11.35825 28.78137 -0.001285 0.000532 0.000165
C 3.27546 12.08148 23.08758 -0.015116 -0.03853 -0.000512
C 6.49896 12.14211 26.65641 0.004005 0.004506 0.001942
C 5.44187 10.66953 24.28501 0.02622 0.007846 8.5e-05
C 5.00784 13.82619 25.64534 -0.006958 0.015631 0.002112
C 1.69538 13.62547 24.18038 0.009632 0.022001 -0.000267
C 4.09872 13.89834 24.51746 0.020515 0.005912 -0.000943
C 1.91831 10.193 23.34124 0.011186 0.000902 -0.000907
C 5.82247 12.7566 25.5044 0.000403 -0.01777 -0.001764
C 4.35193 12.77254 23.66451 0.02959 0.019668 -0.000127
C 0.72384 13.82623 27.63362 0.003608 0.001265 -0.002276
C 8.72761 12.75663 27.77405 0.007012 -0.006131 0.000249
C 4.35193 9.9442 23.66466 0.024647 -0.008067 -8e-06
C 1.63301 13.89822 28.76187 -0.008915 -0.003334 -0.000494
C 8.05113 12.14216 26.62181 -0.000446 0.001888 -0.002913
C 3.27549 10.63534 23.08816 -0.015317 0.03463 -0.000396
C 5.44184 12.04711 24.28491 0.026206 -0.004478 0.000547
C 4.7382 14.48526 26.95219 0.008157 0.005157 -0.002259
C 3.28604 14.69445 27.16265 -0.009549 -0.00361 0.002736
C 0.63418 13.61751 25.14604 0.000108 0.011811 -0.002146
C 1.69543 9.09137 24.18065 0.005832 -0.016434 -0.000148
C 0.99364 14.48522 26.3266 -0.007726 0.003405 0.001088
C 2.80893 14.31407 24.769 -0.018023 0.020308 -9.2e-05
C 2.44582 14.69436 26.11599 0.010525 -0.007299 -0.003722
C 2.80894 8.40269 24.76917 -0.006406 -0.020817 -0.000381
C 4.64636 11.35823 29.77553 0.000705 0.000497 0.00016
C 8.67074 12.51681 25.30318 -0.015054 -0.003747 0.000461
C 0.6886 1.45934 25.14584 -0.001295 -0.01613 0.001771
C 1.47055 2.55997 25.30311 0.018258 0.013301 -0.00433
C 6.32786 2.55303 29.93933 0.006357 -0.005534 -0.000177
C 1.23109 3.71854 24.49642 0.023858 -0.003777 0.002708
C 7.68506 2.99539 30.19886 0.018573 -0.003392 -0.000758
C 2.09011 2.93458 26.62168 -0.000137 -0.002719 0.003129
C 1.03296 4.40723 28.99406 -0.001869 -0.001837 -0.000619
C 0.59893 1.25056 27.63346 -0.003272 -0.001379 0.002117
C 6.10492 1.45137 29.09843 0.012036 -0.001669 0.000419
C 8.50823 1.17847 28.76181 0.009942 0.003621 -0.001913
C 6.32783 4.88384 29.93948 0.005081 0.004233 1e-06
C 1.41364 2.32009 27.77403 -0.005478 0.005782 -0.004045
C 8.76149 2.30432 29.61576 0.005306 0.005453 -0.000704
C 5.13328 1.25049 25.6451 0.012352 -0.016163 -0.001321
C 4.31871 2.32013 25.50402 -0.008411 0.018814 0.002617
C 8.76146 5.13257 29.61594 0.007709 -0.004842 -0.000571
C 6.04249 1.17854 24.51748 -0.010308 -0.027529 0.0003
C 3.64225 2.93457 26.65631 -0.002175 -0.006081 -0.003136
C 7.68503 4.4415 30.19895 0.018435 0.003012 -0.000578
C 1.033 3.02965 28.99398 -0.001583 0.002366 -0.000108
C 0.32911 0.59159 26.32656 0.009257 -0.004456 -0.002802
C 7.69541 0.38246 26.11597 -0.008413 0.008582 -0.007516
C 5.04368 1.45927 28.1327 0.004151 -0.004692 -0.001332
C 6.1049 5.98554 29.09867 0.01044 0.002569 0.000457
C 5.40302 0.59149 26.95206 -0.006922 -0.002783 0.000573
C 7.21842 0.76268 28.50955 -0.001891 0.003352 -0.002115
C 6.8552 0.38235 27.16253 0.006855 0.003279 0.006598
C 7.2184 6.6742 28.50989 -0.001068 -0.00289 -0.000897
C 0.23746 3.7186 23.50304 0.00862 0.000197 -0.002113
C 4.26184 2.55995 27.97491 -0.00732 0.005804 0.00251
C 0.63417 9.09912 25.14614 -0.001011 -0.015074 -0.001322
C 8.67068 10.19976 25.3032 -0.014002 0.006269 -0.000584
C 3.81337 10.19281 29.93944 -0.006409 -0.005457 -3.1e-05
C 0.09168 11.35832 24.4963 -0.015734 -0.002412 -0.002354
C 2.45617 10.63518 30.1989 -0.018619 -0.002989 -0.00073
C 8.05112 10.57437 26.6218 -0.000252 -0.001606 0.000592
C 0.28981 12.04702 28.99402 0.001708 -0.000979 -0.001491
C 0.72384 8.89034 27.6336 0.003679 -0.001679 0.000249
C 4.03631 9.09115 29.09856 -0.012395 -0.002565 -0.000282
C 1.633 8.81826 28.76189 -0.00907 0.002994 -0.001324
C 3.8134 12.52363 29.93941 -0.005645 0.005909 -0.000151
C 8.72759 9.95988 27.77412 0.006852 0.005362 -0.002432
C 1.37974 9.94411 29.61587 -0.007108 0.006219 -0.000779
C 5.00795 8.89028 25.64534 -0.007213 -0.015409 0.000848
C 5.82252 9.95992 25.50441 0.002956 0.016735 0.000279
C 1.37977 12.77236 29.61584 -0.005832 -0.004774 -0.000946
C 4.09874 8.81833 24.51753 0.015177 -0.017495 -0.000219
C 6.49898 10.57436 26.6565 0.003905 -0.004896 -0.000844
C 2.4562 12.08129 30.19888 -0.019634 0.004901 -0.000848
C 0.28977 10.66944 28.99408 0.001527 0.001599 -0.00049
C 0.99366 8.23138 26.32669 -0.008954 -0.005157 -0.000728
C 2.44582 8.02224 26.11599 0.010466 0.006686 -0.000677
C 5.09755 9.09905 28.13283 -0.00415 -0.004777 0.000334
C 4.03633 13.62533 29.09855 -0.011698 0.003005 -0.000472
C 4.73821 8.23128 26.95224 0.007019 -0.00379 -0.000624
C 2.92281 8.40247 28.50965 0.000552 0.004492 -3.2e-05
C 3.28603 8.02214 27.16267 -0.009091 0.003351 -4e-05
C 2.92283 14.31399 28.50964 0.000415 -0.004685 -0.001109
C 1.08531 11.35839 23.50328 -0.002149 -0.002029 -0.000483
C 5.87939 10.19974 27.97513 0.008853 0.005286 0.000386
C 5.04366 5.9777 28.13292 0.0037 0.004529 -0.000265
C 4.26187 4.87696 27.97501 -0.008317 -0.005531 0.001148
C 8.22295 4.88403 23.34254 -0.033679 -0.022439 -0.000179
C 4.5013 3.71846 28.78127 0.000768 -0.001165 -0.001564
C 6.86577 4.4417 23.09006 0.028045 -0.059786 -0.00011
C 3.64227 4.50232 26.65635 -0.003438 0.004894 0.001092
C 4.69936 3.02974 24.28461 -0.029698 0.006469 -0.000469
C 5.13339 6.1864 25.64555 0.008254 0.016573 0.001516
C 8.44585 5.98568 24.18096 0.004866 0.032699 -0.001871
C 6.04251 6.25855 24.51806 -0.013673 0.029908 -0.000565
C 8.22292 2.55321 23.34161 -0.017777 0.016962 -0.000423
C 4.31876 5.11681 25.50435 -0.005856 -0.018846 -0.000627
C 5.7893 5.13276 23.66489 -0.022039 0.011416 0.000368
C 0.59893 6.18645 27.63374 -0.002594 0.000445 0.001228
C 1.41362 5.11685 27.77415 -0.005684 -0.006055 -0.001715
C 5.7893 2.30441 23.66418 -0.033211 -0.022306 2e-06
C 8.50822 6.25844 28.76205 0.009891 -0.004671 -0.001343
C 2.0901 4.50237 26.62181 -0.000317 0.001336 -0.000154
C 6.86574 2.99555 23.0892 0.022215 0.07885 -0.00024
C 4.69939 4.40733 24.28484 -0.03723 -0.005885 0.000697
C 5.40303 6.84548 26.95237 -0.008324 0.003902 -0.000424
C 6.85519 7.05466 27.16293 0.007554 -0.004441 0.003704
C 0.68859 5.97772 25.14639 0.005953 0.013774 0.001388
C 8.4458 1.45158 24.18058 0.005198 -0.029197 -0.002141
C 0.32913 6.84544 26.32691 0.009367 0.005093 -0.001817
C 7.3323 6.67429 24.76951 -0.001442 0.017029 0.001738
C 7.69541 7.05457 26.11636 -0.007079 -0.005075 -0.004184
C 7.33229 0.76291 24.76914 -0.003364 -0.020102 0.001992
C 5.49487 3.71844 29.77543 -0.000257 -0.000216 0.00093
C 1.47049 4.87702 25.30333 0.01433 -0.005384 -0.003063
168
energy=-1515.04723533 config_type=nep2xyz pbc="T T T" virial="-38.22243744534948 0.10882479183675396 0.0007989455351230005 0.10882479183675396 -43.47462129371807 0.006265414985964583 0.0007989455351230005 0.006265414985964583 -5.009766953106271" 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 19.97739 -0.002249 -0.009399 -0.002061
C 1.47141 0.89094 19.98559 -0.013227 0.016829 0.003228
C 2.93782 0.89094 19.98806 0.004256 -0.00246 0.005122
C 3.67602 2.16424 19.98665 0.01121 0.006438 0.004006
C 0.73321 4.71084 19.97589 -0.005293 -0.005625 -0.002843
C 1.47141 3.43754 19.97929 0.012562 0.002429 -0.001269
C 2.93782 3.43754 19.9854 -0.018904 -0.003902 0.002939
C 3.67602 4.71084 19.98626 0.006754 0.005108 0.003563
C 0.73321 7.25743 19.98767 0.00563 -0.003898 0.005048
C 1.47141 5.98413 19.98553 -0.009166 -0.002615 0.00356
C 2.93782 5.98413 19.98854 0.00217 -0.010301 0.005809
C 3.67602 7.25743 19.98759 8.9e-05 0.008976 0.005121
C 0.73321 9.80403 19.98258 0.002887 -0.00559 0.00171
C 1.47141 8.53073 19.98529 -0.002681 0.010654 0.003185
C 2.93782 8.53073 19.98135 0.006157 0.010152 0.00103
C 3.67602 9.80403 19.96952 0.000719 0.00304 -0.004994
C 0.73321 12.35062 19.97988 -0.004009 -0.00208 -0.000141
C 1.47141 11.07732 19.97262 0.017029 0.006002 -0.004271
C 2.93782 11.07732 19.96136 -0.016841 -0.010442 -0.008608
C 3.67602 12.35062 19.96535 0.002667 0.016081 -0.007048
C 0.73321 14.89722 19.98651 0.010566 -0.014821 0.004048
C 1.47141 13.62392 19.98078 0.002293 0.008097 0.000189
C 2.93782 13.62392 19.97535 0.005192 -0.007639 -0.002284
C 3.67602 14.89722 19.98562 -0.007119 -0.011195 0.003403
C 5.14244 2.16424 19.98131 0.002667 0.01007 0.000434
C 5.88064 0.89094 19.98537 -0.006191 0.001781 0.002617
C 7.34705 0.89094 19.98185 0.003675 0.006911 0.000793
C 8.08525 2.16424 19.96968 0.005089 0.002277 -0.005547
C 5.14244 4.71084 19.9797 0.004553 -0.016438 -0.00101
C 5.88064 3.43754 19.97032 -0.013212 0.001893 -0.00504
C 7.34705 3.43754 19.96137 0.000883 -0.007298 -0.009128
C 8.08525 4.71084 19.96619 0.004959 0.006503 -0.007215
C 5.14244 7.25743 19.98654 0.010264 -0.016289 0.004409
C 5.88064 5.98413 19.9814 0.003211 0.011271 0.00032
C 7.34705 5.98413 19.97667 -0.001737 -0.010003 -0.001782
C 8.08525 7.25743 19.9862 -0.005437 -0.008094 0.004382
C 5.14244 9.80403 19.97813 -0.00731 -0.014102 -0.000815
C 5.88064 8.53073 19.98601 -0.01401 0.019481 0.004551
C 7.34705 8.53073 19.98883 -0.00096 -0.003749 0.006703
C 8.08525 9.80403 19.98818 0.009164 0.009573 0.005945
C 5.14244 12.35062 19.97608 -0.006805 -0.001275 -0.001909
C 5.88064 11.07732 19.98198 -0.00881 0.00539 0.000368
C 7.34705 11.07732 19.98779 -0.001177 -0.00481 0.005053
C 8.08525 12.35062 19.98708 0.013355 0.003027 0.005142
C 5.14244 14.89722 19.98761 0.009853 0.002749 0.00463
C 5.88064 13.62392 19.98593 -0.009298 -0.007997 0.004222
C 7.34705 13.62392 19.98901 -0.003599 -0.007588 0.006726
C 8.08525 14.89722 19.98792 -0.003246 0.010476 0.005389
C 5.31804 13.61749 28.13272 -0.00505 0.004773 0.0003
C 6.09982 12.51675 27.97498 0.009252 -0.006048 -0.000314
C 2.13874 12.52382 23.34057 0.006589 -0.008386 -0.001009
C 5.86039 11.35825 28.78129 -0.001373 0.000719 -0.000132
C 3.49593 12.08148 23.08711 -0.01372 -0.039889 -0.000571
C 6.71942 12.14211 26.6563 0.003261 0.004891 0.00101
C 5.66233 10.66953 24.28473 0.027602 0.003804 0.000161
C 5.2283 13.82619 25.64525 -0.006888 0.014513 0.001644
C 1.91584 13.62547 24.18038 0.007375 0.018098 -0.000837
C 4.31918 13.89834 24.51738 0.01679 0.005196 -0.001002
C 2.13878 10.193 23.34152 0.013371 0.004991 -0.000754
C 6.04293 12.7566 25.50421 0.000262 -0.017521 -0.001255
C 4.57239 12.77254 23.66421 0.03209 0.020875 -0.0002
C 0.9443 13.82623 27.63359 0.00385 0.000841 -0.001791
C 0.12961 12.75663 27.77404 0.006435 -0.006299 -0.000309
C 4.57239 9.9442 23.66451 0.024577 -0.007095 -3.3e-05
C 1.85348 13.89822 28.76185 -0.009033 -0.003168 -0.000709
C 8.27159 12.14216 26.62177 -0.000282 0.002265 -0.002084
C 3.49595 10.63534 23.08789 -0.016152 0.031766 -0.000422
C 5.6623 12.04711 24.28459 0.024927 -0.001167 0.000236
C 4.95866 14.48526 26.95212 0.007778 0.004644 -0.002205
C 3.5065 14.69445 27.16263 -0.008743 -0.003428 0.002951
C 0.85464 13.61751 25.14597 0.001547 0.015038 -0.001352
C 1.91589 9.09137 24.18071 0.00426 -0.014524 -0.000771
C 1.2141 14.48522 26.32659 -0.007901 0.003261 0.000398
C 3.02939 14.31407 24.76901 -0.012881 0.021213 0.00026
C 2.66628 14.69436 26.11598 0.010163 -0.007575 -0.004159
C 3.0294 8.40269 24.7692 -0.003284 -0.020964 -0.000135
C 4.86682 11.35823 29.77547 0.000785 0.000542 0.000138
C 0.07274 12.51681 25.30315 -0.015438 -0.007555 -0.000759
C 0.90906 1.45934 25.14598 0.002002 -0.014646 0.001422
C 1.69101 2.55997 25.30327 0.016278 0.009245 -0.004027
C 6.54832 2.55303 29.93928 0.006138 -0.005368 -0.000191
C 1.45155 3.71854 24.49668 0.028172 -0.002955 0.002515
C 7.90552 2.99539 30.19889 0.017971 -0.003056 -0.000757
C 2.31057 2.93458 26.62177 0.000505 -0.003009 0.003128
C 1.25343 4.40723 28.99412 -0.00177 -0.001837 -0.000452
C 0.81939 1.25056 27.63352 -0.00309 -0.001861 0.001715
C 6.32538 1.45137 29.09838 0.011423 -0.001397 0.000385
C 8.72869 1.17847 28.76185 0.009684 0.003411 -0.00174
C 6.54829 4.88384 29.93946 0.004878 0.004004 -7.2e-05
C 1.63411 2.32009 27.7741 -0.004781 0.005474 -0.003749
C 0.16349 2.30432 29.6158 0.004924 0.005124 -0.000624
C 5.35374 1.25049 25.64499 0.014062 -0.017296 -0.002008
C 4.53918 2.32013 25.50384 -0.00868 0.021186 0.002939
C 0.16346 5.13257 29.61598 0.007499 -0.004436 -0.000529
C 6.26295 1.17854 24.51742 -0.008803 -0.026884 0.000627
C 3.86272 2.93457 26.65621 -0.001308 -0.006407 -0.003379
C 7.90549 4.4415 30.19898 0.017768 0.002528 -0.000537
C 1.25346 3.02965 28.99404 -0.001496 0.002303 -0.000103
C 0.54957 0.59159 26.32661 0.009058 -0.004316 -0.00219
C 7.91587 0.38246 26.11598 -0.008393 0.008764 -0.008181
C 5.26415 1.45927 28.13263 0.004217 -0.004613 -0.001401
C 6.32536 5.98554 29.09865 0.009736 0.002213 0.000654
C 5.62348 0.59149 26.95198 -0.006896 -0.002737 0.00084
C 7.43888 0.76268 28.50954 -0.001923 0.003463 -0.002307
C 7.07566 0.38235 27.16251 0.006162 0.003284 0.007246
C 7.43886 6.6742 28.50989 -0.001104 -0.003181 -0.000134
C 0.45793 3.7186 23.50355 0.000431 0.001113 -0.001981
C 4.4823 2.55995 27.97482 -0.006531 0.005832 0.002715
C 0.85463 9.09912 25.14617 -0.002233 -0.016715 -0.000469
C 0.07268 10.19976 25.30323 -0.012821 0.00722 -0.001642
C 4.03383 10.19281 29.93941 -0.006127 -0.005173 -0.000135
C 0.31214 11.35832 24.49635 -0.020673 -0.001341 -0.000888
C 2.67663 10.63518 30.19889 -0.018295 -0.002923 -0.000767
C 8.27158 10.57437 26.62179 -0.00016 -0.001625 0.000928
C 0.51027 12.04702 28.994 0.001632 -0.00086 -0.001409
C 0.9443 8.89034 27.63361 0.003767 -0.001294 0.000787
C 4.25677 9.09115 29.09854 -0.011917 -0.002354 -0.000285
C 1.85346 8.81826 28.7619 -0.008933 0.002925 -0.001527
C 4.03386 12.52363 29.93937 -0.005475 0.005805 -0.000285
C 0.12959 9.95988 27.77413 0.006302 0.005407 -0.002803
C 1.6002 9.94411 29.61588 -0.007474 0.006394 -0.000794
C 5.22841 8.89028 25.6453 -0.006477 -0.014463 0.001504
C 6.04298 9.95992 25.50428 0.002016 0.016619 -0.000302
C 1.60023 12.77236 29.61582 -0.005755 -0.004788 -0.00099
C 4.31921 8.81833 24.51754 0.013119 -0.016458 -0.000646
C 6.71944 10.57436 26.65639 0.003338 -0.005122 -0.000536
C 2.67667 12.08129 30.19886 -0.019462 0.005108 -0.000912
C 0.51023 10.66944 28.99409 0.001486 0.001477 -0.000435
C 1.21412 8.23138 26.32673 -0.009109 -0.005251 -0.001427
C 2.66629 8.02224 26.11601 0.009725 0.00627 -0.000764
C 5.31801 9.09905 28.13279 -0.004098 -0.0047 0.000334
C 4.2568 13.62533 29.0985 -0.011316 0.002753 -0.000428
C 4.95867 8.23128 26.95221 0.007064 -0.003839 -0.001357
C 3.14327 8.40247 28.50967 0.00047 0.004201 -0.000161
C 3.50649 8.02214 27.16267 -0.008296 0.003706 0.000134
C 3.1433 14.31399 28.50962 0.000592 -0.004471 -0.001354
C 1.30577 11.35839 23.50322 0.002676 -0.001415 -0.001069
C 6.09985 10.19974 27.97505 0.008441 0.005227 0.000289
C 5.26412 5.9777 28.13288 0.003436 0.0043 -0.00087
C 4.48233 4.87696 27.97491 -0.0074 -0.005498 0.001682
C 8.44341 4.88403 23.343 -0.03101 -0.024007 -0.0002
C 4.72176 3.71846 28.78119 0.000777 -0.001153 -0.002044
C 7.08623 4.4417 23.09013 0.030968 -0.058031 -0.000157
C 3.86273 4.50232 26.65626 -0.002499 0.00521 0.000234
C 4.91982 3.02974 24.28445 -0.032134 0.006851 -0.000573
C 5.35385 6.1864 25.64546 0.010006 0.017345 -0.000227
C 8.66631 5.98568 24.18112 0.006405 0.031674 -0.001536
C 6.26297 6.25855 24.51801 -0.010214 0.032074 0.000216
C 8.44338 2.55321 23.34193 -0.017365 0.021718 -0.000474
C 4.53922 5.11681 25.50417 -0.006881 -0.020824 0.000384
C 6.00976 5.13276 23.66459 -0.026836 0.013829 0.000275
C 0.8194 6.18645 27.63381 -0.00258 0.000726 0.001274
C 1.63408 5.11685 27.77423 -0.004999 -0.005825 -0.001857
C 6.00976 2.30441 23.6639 -0.038326 -0.026321 -0.000103
C 8.72868 6.25844 28.76211 0.010006 -0.00455 -0.001248
C 2.31056 4.50237 26.62189 9.1e-05 0.001738 0.000132
C 7.08621 2.99555 23.08919 0.026471 0.076077 -0.000277
C 4.91986 4.40733 24.2847 -0.03846 -0.007493 0.000429
C 5.62349 6.84548 26.95231 -0.007731 0.003264 0.001191
C 7.07565 7.05466 27.16299 0.007857 -0.003732 0.000225
C 0.90905 5.97772 25.14654 0.008066 0.014215 0.001238
C 8.66626 1.45158 24.18068 0.005473 -0.030605 -0.001892
C 0.54959 6.84544 26.327 0.009278 0.005108 -0.002176
C 7.55276 6.67429 24.76959 -0.007018 0.018948 0.000565
C 7.91587 7.05457 26.11636 -0.008152 -0.004972 -0.000645
C 7.55275 0.76291 24.76914 -0.004958 -0.021931 0.001948
C 5.71533 3.71844 29.77537 -0.000246 -0.000291 0.001014
C 1.69095 4.87702 25.30348 0.013094 -0.003517 -0.002922
168
energy=-1515.04749226 config_type=nep2xyz pbc="T T T" virial="-38.220334957099155 0.11921108379335296 -0.01337182527205864 0.11921108379335296 -43.49123095089563 0.0068961614610616884 -0.01337182527205864 0.0068961614610616884 -5.0156539202071775" 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 19.97548 -0.000695 -0.012484 -0.003404
C 1.47141 0.89094 19.98488 -0.015129 0.018541 0.002694
C 2.93782 0.89094 19.98821 0.004214 -0.003056 0.005397
C 3.67602 2.16424 19.98755 0.007205 0.007888 0.004729
C 0.73321 4.71084 19.97365 -0.004652 -0.003805 -0.004339
C 1.47141 3.43754 19.97738 0.012881 0.002895 -0.002564
C 2.93782 3.43754 19.98538 -0.018922 -0.005052 0.002964
C 3.67602 4.71084 19.98716 0.003863 0.004803 0.004179
C 0.73321 7.25743 19.98736 0.006509 -0.006921 0.004625
C 1.47141 5.98413 19.9845 -0.011285 -0.002279 0.002627
C 2.93782 5.98413 19.98852 0.000972 -0.010277 0.005832
C 3.67602 7.25743 19.98773 -0.000657 0.009634 0.005448
C 0.73321 9.80403 19.98383 0.001148 -0.007283 0.002782
C 1.47141 8.53073 19.98584 -0.001856 0.010583 0.003724
C 2.93782 8.53073 19.98162 0.005637 0.0084 0.001477
C 3.67602 9.80403 19.96978 -0.000135 0.006828 -0.004672
C 0.73321 12.35062 19.98134 -0.006249 -0.000382 0.000888
C 1.47141 11.07732 19.97485 0.020339 0.006586 -0.003023
C 2.93782 11.07732 19.96278 -0.014976 -0.008849 -0.007861
C 3.67602 12.35062 19.96553 -0.000234 0.010587 -0.006773
C 0.73321 14.89722 19.98652 0.010206 -0.013593 0.003908
C 1.47141 13.62392 19.98174 0.003163 0.006913 0.000938
C 2.93782 13.62392 19.97593 0.001676 -0.007716 -0.001748
C 3.67602 14.89722 19.98587 -0.006425 -0.009216 0.00374
C 5.14244 2.16424 19.98344 0.004223 0.007905 0.001517
C 5.88064 0.89094 19.98605 -0.006407 -0.001377 0.002997
C 7.34705 0.89094 19.98143 0.006463 0.011584 0.000469
C 8.08525 2.16424 19.96814 0.000373 -0.002644 -0.006288
C 5.14244 4.71084 19.98194 0.00612 -0.014331 9.3e-05
C 5.88064 3.43754 19.97287 -0.004708 0.003129 -0.004111
C 7.34705 3.43754 19.96104 -0.005066 -0.011014 -0.009495
C 8.08525 4.71084 19.96438 0.003417 0.013882 -0.008101
C 5.14244 7.25743 19.98676 0.012787 -0.017481 0.004683
C 5.88064 5.98413 19.98233 0.002948 0.015156 0.00085
C 7.34705 5.98413 19.97618 0.000937 -0.013951 -0.002045
C 8.08525 7.25743 19.98591 -0.003834 -0.008439 0.003986
C 5.14244 9.80403 19.97699 -0.00402 -0.0136 -0.001214
C 5.88064 8.53073 19.98546 -0.01297 0.02019 0.004327
C 7.34705 8.53073 19.98867 -0.003715 -0.003163 0.006502
C 8.08525 9.80403 19.98845 0.008001 0.011798 0.00642
C 5.14244 12.35062 19.97449 0.000288 -0.001143 -0.002759
C 5.88064 11.07732 19.9805 -0.009546 0.007308 -0.000391
C 7.34705 11.07732 19.98742 -0.001831 -0.006079 0.004824
C 8.08525 12.35062 19.98734 0.013991 0.001802 0.005408
C 5.14244 14.89722 19.98756 0.01244 0.001684 0.004734
C 5.88064 13.62392 19.98488 -0.008577 -0.00886 0.003621
C 7.34705 13.62392 19.98861 -0.007328 -0.007907 0.006457
C 8.08525 14.89722 19.98763 -0.001705 0.010425 0.004989
C 5.5385 13.61749 28.13268 -0.004903 0.004566 -0.000156
C 6.32028 12.51675 27.9749 0.008706 -0.006056 0.000156
C 2.3592 12.52382 23.34074 0.005626 -0.009295 -0.000793
C 6.08085 11.35825 28.78123 -0.001358 0.000944 -0.000674
C 3.71639 12.08148 23.08671 -0.01268 -0.044017 -0.000582
C 6.93989 12.14211 26.6562 0.002543 0.005186 5.7e-05
C 5.88279 10.66953 24.28444 0.027798 -0.00238 0.000246
C 5.44877 13.82619 25.64518 -0.006704 0.013104 0.001243
C 2.13631 13.62547 24.1804 0.004174 0.014257 -0.001695
C 4.53964 13.89834 24.51736 0.013076 0.005775 -0.001113
C 2.35924 10.193 23.34174 0.016815 0.009128 -0.000547
C 6.26339 12.7566 25.50405 0.000504 -0.016799 -0.000715
C 4.79285 12.77254 23.66398 0.033832 0.020157 -0.000203
C 1.16476 13.82623 27.63356 0.004083 0.000196 -0.000861
C 0.35007 12.75663 27.77403 0.005874 -0.006569 -0.001009
C 4.79286 9.9442 23.66442 0.0244 -0.005439 2e-06
C 2.07394 13.89822 28.76184 -0.009248 -0.003073 -0.001054
C 8.49205 12.14216 26.62172 4.6e-05 0.002386 -0.001193
C 3.71641 10.63534 23.08758 -0.016804 0.032361 -0.000406
C 5.88276 12.04711 24.28428 0.022869 0.00393 -4e-05
C 5.17912 14.48526 26.95208 0.007419 0.004127 -0.001798
C 3.72696 14.69445 27.16264 -0.008165 -0.003232 0.002187
C 1.0751 13.61751 25.1459 0.003329 0.018346 -0.000128
C 2.13635 9.09137 24.18074 0.002101 -0.013074 -0.001621
C 1.43457 14.48522 26.3266 -0.008244 0.00338 -0.000988
C 3.24985 14.31407 24.76907 -0.006556 0.020849 0.000388
C 2.88675 14.69436 26.116 0.009733 -0.007481 -0.00342
C 3.24986 8.40269 24.76925 -1.3e-05 -0.01995 0.000275
C 5.08728 11.35823 29.77542 0.000859 0.000542 0.000186
C 0.2932 12.51681 25.3031 -0.016161 -0.012289 -0.002271
C 1.12952 1.45934 25.14616 0.005434 -0.012158 0.000704
C 1.91147 2.55997 25.30347 0.014059 0.004102 -0.003208
C 6.76878 2.55303 29.93927 0.005955 -0.005212 -0.000139
C 1.67201 3.71854 24.49693 0.029633 -0.001972 0.001637
C 8.12598 2.99539 30.19892 0.017473 -0.002748 -0.000707
C 2.53103 2.93458 26.62189 0.001168 -0.003129 0.002684
C 1.47389 4.40723 28.99419 -0.001623 -0.001763 -0.000416
C 1.03985 1.25056 27.63361 -0.002833 -0.002504 0.00082
C 6.54584 1.45137 29.09837 0.010915 -0.001212 0.000311
C 0.13069 1.17847 28.7619 0.009255 0.003172 -0.00138
C 6.76876 4.88384 29.93944 0.004753 0.003843 -6.4e-05
C 1.85457 2.32009 27.77419 -0.004332 0.005197 -0.003288
C 0.38395 2.30432 29.61586 0.004639 0.004876 -0.000547
C 5.5742 1.25049 25.64491 0.015518 -0.018445 -0.002306
C 4.75964 2.32013 25.50373 -0.008698 0.023447 0.003086
C 0.38392 5.13257 29.61604 0.00719 -0.004111 -0.000464
C 6.48341 1.17854 24.51738 -0.008472 -0.025136 0.000911
C 4.08318 2.93457 26.65615 -0.000541 -0.006471 -0.003261
C 8.12595 4.4415 30.19902 0.017236 0.002225 -0.000498
C 1.47393 3.02965 28.99411 -0.001375 0.002191 -0.000159
C 0.77004 0.59159 26.32667 0.008911 -0.004399 -0.000952
C 8.13633 0.38246 26.116 -0.008322 0.008797 -0.008947
C 5.48461 1.45927 28.13259 0.004331 -0.004563 -0.00128
C 6.54582 5.98554 29.09864 0.00916 0.00196 0.000682
C 5.84394 0.59149 26.95194 -0.00708 -0.00286 0.000753
C 7.65934 0.76268 28.50954 -0.001852 0.003578 -0.002537
C 7.29612 0.38235 27.16251 0.005548 0.003271 0.008109
C 7.65932 6.6742 28.50989 -0.00116 -0.003424 0.000148
C 0.67839 3.7186 23.5041 -0.005176 0.002046 -0.001502
C 4.70276 2.55995 27.97476 -0.00596 0.005819 0.00255
C 1.0751 9.09912 25.14618 -0.002816 -0.018144 0.000759
C 0.29314 10.19976 25.30324 -0.012159 0.009077 -0.003066
C 4.25429 10.19281 29.9394 -0.005852 -0.004896 -0.000214
C 0.5326 11.35832 24.49635 -0.023786 -0.000299 0.001022
C 2.89709 10.63518 30.19888 -0.01803 -0.0031 -0.00082
C 8.49204 10.57437 26.62177 5e-05 -0.001535 0.001497
C 0.73073 12.04702 28.99398 0.001548 -0.000773 -0.001288
C 1.16477 8.89034 27.6336 0.003851 -0.000704 0.001837
C 4.47724 9.09115 29.09853 -0.011509 -0.002197 -0.000287
C 2.07393 8.81826 28.76191 -0.00885 0.002847 -0.001924
C 4.25432 12.52363 29.93935 -0.005282 0.005646 -0.000431
C 0.35005 9.95988 27.77414 0.005742 0.005538 -0.003418
C 1.82067 9.94411 29.61588 -0.007822 0.006677 -0.000802
C 5.44887 8.89028 25.64527 -0.00574 -0.01329 0.002273
C 6.26344 9.95992 25.50416 0.001323 0.016151 -0.000832
C 1.82069 12.77236 29.61581 -0.005878 -0.004928 -0.001061
C 4.53967 8.81833 24.51759 0.011364 -0.015672 -0.00115
C 6.9399 10.57436 26.6563 0.002784 -0.005377 -0.000295
C 2.89713 12.08129 30.19884 -0.019313 0.005395 -0.000937
C 0.73069 10.66944 28.99409 0.001447 0.001371 -0.000354
C 1.43458 8.23138 26.32678 -0.0094 -0.005455 -0.002703
C 2.88675 8.02224 26.11605 0.008633 0.005761 -0.001158
C 5.53847 9.09905 28.13277 -0.004078 -0.004572 0.000334
C 4.47726 13.62533 29.09848 -0.010913 0.002481 -0.000313
C 5.17913 8.23128 26.9522 0.007286 -0.003982 -0.002074
C 3.36373 8.40247 28.50969 0.00041 0.003782 -0.000273
C 3.72695 8.02214 27.16268 -0.007376 0.004099 0.000613
C 3.36376 14.31399 28.50962 0.00073 -0.004157 -0.001296
C 1.52623 11.35839 23.503 0.003148 -0.000662 -0.001834
C 6.32032 10.19974 27.97498 0.008035 0.005228 0.000308
C 5.48458 5.9777 28.13285 0.003357 0.004093 -0.001069
C 4.7028 4.87696 27.97486 -0.006725 -0.005461 0.001944
C 8.66388 4.88403 23.34328 -0.026495 -0.023266 -0.000313
C 4.94223 3.71846 28.78114 0.000936 -0.001168 -0.001994
C 7.30669 4.4417 23.09001 0.033079 -0.054871 -0.00021
C 4.08319 4.50232 26.65622 -0.001646 0.005363 -0.000544
C 5.14028 3.02974 24.28436 -0.033329 0.006404 -0.000532
C 5.57431 6.1864 25.64539 0.011769 0.018191 -0.001735
C 0.06831 5.98568 24.18125 0.006497 0.029872 -0.000862
C 6.48343 6.25855 24.51796 -0.007794 0.032499 0.000987
C 8.66384 2.55321 23.34218 -0.016427 0.024392 -0.000604
C 4.75968 5.11681 25.50404 -0.007768 -0.022739 0.00126
C 6.23023 5.13276 23.66434 -0.032645 0.015802 0.000145
C 1.03986 6.18645 27.63389 -0.002509 0.001198 0.000713
C 1.85454 5.11685 27.77431 -0.004551 -0.005641 -0.001572
C 6.23022 2.30441 23.66373 -0.043149 -0.028668 -0.000217
C 0.13068 6.25844 28.76217 0.009976 -0.00432 -0.000988
C 2.53103 4.50237 26.62199 0.000719 0.00201 0.000196
C 7.30667 2.99555 23.08907 0.030163 0.070393 -0.000293
C 5.14032 4.40733 24.28461 -0.037849 -0.008243 0.000161
C 5.84395 6.84548 26.95226 -0.007315 0.00273 0.002396
C 7.29611 7.05466 27.16304 0.007813 -0.003083 -0.001358
C 1.12951 5.97772 25.14668 0.00959 0.013828 0.00048
C 0.06826 1.45158 24.18079 0.004391 -0.031333 -0.001249
C 0.77005 6.84544 26.32706 0.009146 0.005135 -0.001407
C 7.77323 6.67429 24.76966 -0.010418 0.020654 -0.000324
C 8.13633 7.05457 26.11638 -0.00885 -0.005087 0.001017
C 7.77321 0.76291 24.76915 -0.004762 -0.02329 0.001785
C 5.93579 3.71844 29.77533 -0.000312 -0.000346 0.000964
C 1.91141 4.87702 25.30363 0.01198 -0.000978 -0.002153
168
energy=-1515.04708693 config_type=nep2xyz pbc="T T T" virial="-38.23009050258066 0.11366051481249843 -0.022664823338489327 0.11366051481249843 -43.52402976760068 0.007526907936158794 -0.022664823338489327 0.007526907936158794 -5.005519926840617" 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 19.97383 0.000815 -0.014153 -0.004436
C 1.47141 0.89094 19.98424 -0.01624 0.019095 0.002262
C 2.93782 0.89094 19.98831 0.003816 -0.003389 0.005485
C 3.67602 2.16424 19.98822 0.003847 0.009105 0.005285
C 0.73321 4.71084 19.97162 -0.002885 -0.002646 -0.005508
C 1.47141 3.43754 19.97568 0.010791 0.003159 -0.003764
C 2.93782 3.43754 19.98527 -0.017331 -0.005586 0.002882
C 3.67602 4.71084 19.98778 0.001886 0.003103 0.004583
C 0.73321 7.25743 19.98704 0.007332 -0.008593 0.00438
C 1.47141 5.98413 19.9835 -0.0125 -0.002931 0.001852
C 2.93782 5.98413 19.98841 -0.000756 -0.008983 0.005793
C 3.67602 7.25743 19.9878 -0.001555 0.009374 0.005673
C 0.73321 9.80403 19.98504 -0.000503 -0.006352 0.003642
C 1.47141 8.53073 19.98639 -0.000267 0.008736 0.004239
C 2.93782 8.53073 19.98196 0.005042 0.00758 0.001896
C 3.67602 9.80403 19.97017 -0.000744 0.009789 -0.004459
C 0.73321 12.35062 19.98281 -0.007194 -0.000425 0.001867
C 1.47141 11.07732 19.97705 0.020193 0.006815 -0.001721
C 2.93782 11.07732 19.9646 -0.010076 -0.006108 -0.00712
C 3.67602 12.35062 19.96586 -0.003394 0.00369 -0.006578
C 0.73321 14.89722 19.98655 0.009741 -0.011689 0.003861
C 1.47141 13.62392 19.98279 0.004784 0.006195 0.001769
C 2.93782 13.62392 19.97671 -0.001833 -0.008286 -0.00116
C 3.67602 14.89722 19.98606 -0.005581 -0.006915 0.004024
C 5.14244 2.16424 19.98514 0.004818 0.004902 0.002403
C 5.88064 0.89094 19.98651 -0.005638 -0.003611 0.00331
C 7.34705 0.89094 19.98107 0.008904 0.015653 0.000144
C 8.08525 2.16424 19.96711 -0.00557 -0.005611 -0.006964
C 5.14244 4.71084 19.98369 0.005986 -0.010289 0.001052
C 5.88064 3.43754 19.97524 0.005756 0.003445 -0.003312
C 7.34705 3.43754 19.96107 -0.00961 -0.013369 -0.009628
C 8.08525 4.71084 19.96311 0.000346 0.018345 -0.00883
C 5.14244 7.25743 19.98687 0.014843 -0.017192 0.004779
C 5.88064 5.98413 19.98309 0.003088 0.017261 0.001281
C 7.34705 5.98413 19.97583 0.003239 -0.016179 -0.002373
C 8.08525 7.25743 19.98562 -0.002819 -0.009276 0.003592
C 5.14244 9.80403 19.9757 -0.000701 -0.011329 -0.001877
C 5.88064 8.53073 19.98477 -0.011446 0.019524 0.003748
C 7.34705 8.53073 19.98839 -0.006321 -0.001935 0.006176
C 8.08525 9.80403 19.98856 0.0066 0.01293 0.006396
C 5.14244 12.35062 19.97265 0.007158 -0.000634 -0.003367
C 5.88064 11.07732 19.97841 -0.008729 0.007938 -0.001391
C 7.34705 11.07732 19.98671 -0.003933 -0.006265 0.00435
C 8.08525 12.35062 19.98742 0.013544 8.5e-05 0.005373
C 5.14244 14.89722 19.98733 0.0143 1e-06 0.004595
C 5.88064 13.62392 19.98353 -0.007512 -0.009463 0.002887
C 7.34705 13.62392 19.98802 -0.011029 -0.007545 0.005769
C 8.08525 14.89722 19.9873 -0.000781 0.009824 0.004511
C 5.75896 13.61749 28.13268 -0.00485 0.004273 -0.000434
C 6.54074 12.51675 27.97485 0.008241 -0.006072 0.000566
C 2.57966 12.52382 23.34094 0.005962 -0.009537 -0.000753
C 6.30131 11.35825 28.7812 -0.00133 0.000967 -0.001033
C 3.93685 12.08148 23.08641 -0.012537 -0.049607 -0.000553
C 7.16035 12.14211 26.65615 0.00211 0.005268 -0.000677
C 6.10326 10.66953 24.2842 0.026796 -0.009644 0.000382
C 5.66923 13.82619 25.64517 -0.006476 0.011884 0.001187
C 2.35677 13.62547 24.18043 0.000938 0.011243 -0.002205
C 4.76011 13.89834 24.51741 0.00992 0.007388 -0.001212
C 2.5797 10.193 23.3419 0.020675 0.012589 -0.000419
C 6.48385 12.7566 25.50395 0.001048 -0.016016 -0.00035
C 5.01331 12.77254 23.66388 0.035163 0.017884 -0.000209
C 1.38522 13.82623 27.63356 0.004081 -0.000376 -0.000159
C 0.57053 12.75663 27.77403 0.005407 -0.006809 -0.001677
C 5.01332 9.9442 23.6644 0.024675 -0.003583 2.4e-05
C 2.2944 13.89822 28.76186 -0.00931 -0.00302 -0.001293
C 8.71251 12.14216 26.62169 0.000393 0.002369 -0.000319
C 3.93687 10.63534 23.08729 -0.017764 0.035425 -0.00037
C 6.10322 12.04711 24.28404 0.020161 0.009861 -0.000215
C 5.39958 14.48526 26.95209 0.00734 0.003666 -0.002073
C 3.94742 14.69445 27.16266 -0.006666 -0.003299 0.004709
C 1.29557 13.61751 25.14587 0.005221 0.020802 0.000678
C 2.35681 9.09137 24.18076 8.3e-05 -0.012507 -0.002222
C 1.65503 14.48522 26.32663 -0.008829 0.003753 -0.001533
C 3.47031 14.31407 24.76916 -0.000637 0.01969 0.001216
C 3.10721 14.69436 26.11608 0.008151 -0.007415 -0.005927
C 3.47032 8.40269 24.7693 0.002365 -0.018233 0.001462
C 5.30774 11.35823 29.7754 0.000894 0.000508 0.000293
C 0.51366 12.51681 25.30307 -0.017086 -0.016516 -0.00337
C 1.34998 1.45934 25.14634 0.008364 -0.009399 -9.6e-05
C 2.13193 2.55997 25.30364 0.012173 -0.000759 -0.002027
C 6.98924 2.55303 29.93928 0.005798 -0.005148 -0.000114
C 1.89247 3.71854 24.49711 0.02768 -0.000893 0.0004
C 8.34645 2.99539 30.19897 0.017114 -0.002593 -0.000651
C 2.75149 2.93458 26.62201 0.001761 -0.002922 0.001687
C 1.69435 4.40723 28.99425 -0.001484 -0.001624 -0.000406
C 1.26031 1.25056 27.6337 -0.002828 -0.003048 0.000328
C 6.7663 1.45137 29.09839 0.010536 -0.001064 0.000276
C 0.35115 1.17847 28.76196 0.008926 0.002869 -0.001044
C 6.98922 4.88384 29.93945 0.004704 0.003837 -3.3e-05
C 2.07503 2.32009 27.77428 -0.004181 0.005007 -0.002409
C 0.60441 2.30432 29.61592 0.004548 0.004792 -0.000535
C 5.79466 1.25049 25.6449 0.016486 -0.019232 -0.002448
C 4.9801 2.32013 25.50371 -0.00826 0.025059 0.002612
C 0.60438 5.13257 29.61608 0.006863 -0.00392 -0.000425
C 6.70387 1.17854 24.51739 -0.009514 -0.022587 0.001117
C 4.30364 2.93457 26.65614 -0.000163 -0.006245 -0.002351
C 8.34641 4.4415 30.19906 0.016991 0.002285 -0.000421
C 1.69439 3.02965 28.9942 -0.001199 0.002032 -0.000198
C 0.9905 0.59159 26.32675 0.008652 -0.004647 -0.00053
C 8.35679 0.38246 26.11601 -0.009312 0.008244 -0.005378
C 5.70507 1.45927 28.1326 0.00434 -0.004525 -0.001071
C 6.76628 5.98554 29.09864 0.008846 0.001791 0.000715
C 6.0644 0.59149 26.95194 -0.00731 -0.003165 0.001303
C 7.8798 0.76268 28.50957 -0.001506 0.003973 -0.001651
C 7.51659 0.38235 27.16258 0.006269 0.002949 0.004661
C 7.87978 6.6742 28.50991 -0.001148 -0.003647 0.000409
C 0.89885 3.7186 23.50451 -0.006286 0.00285 -0.000977
C 4.92322 2.55995 27.97477 -0.005707 0.005877 0.002128
C 1.29556 9.09912 25.14618 -0.00293 -0.01858 0.001617
C 0.51361 10.19976 25.30324 -0.011995 0.010703 -0.004023
C 4.47475 10.19281 29.9394 -0.005619 -0.004634 -0.000225
C 0.75306 11.35832 24.49634 -0.023891 0.000637 0.002288
C 3.11755 10.63518 30.19888 -0.017911 -0.003402 -0.000818
C 8.7125 10.57437 26.62176 0.000251 -0.001305 0.001809
C 0.95119 12.04702 28.99398 0.00148 -0.000749 -0.001112
C 1.38523 8.89034 27.63361 0.003734 -0.000286 0.002336
C 4.6977 9.09115 29.09853 -0.011253 -0.002059 -0.000244
C 2.29439 8.81826 28.76192 -0.008641 0.002818 -0.002111
C 4.47478 12.52363 29.93935 -0.005123 0.005399 -0.000467
C 0.57051 9.95988 27.77415 0.005328 0.005734 -0.003718
C 2.04113 9.94411 29.61589 -0.00807 0.007033 -0.000749
C 5.66934 8.89028 25.64527 -0.005221 -0.012221 0.003062
C 6.4839 9.95992 25.50409 0.000948 0.015631 -0.001391
C 2.04115 12.77236 29.61581 -0.006103 -0.005176 -0.001035
C 4.76013 8.81833 24.51767 0.010378 -0.015006 -0.001623
C 7.16036 10.57436 26.65623 0.002434 -0.005393 8.4e-05
C 3.11759 12.08129 30.19884 -0.019205 0.005733 -0.00095
C 0.95115 10.66944 28.9941 0.001361 0.001308 -0.000358
C 1.65504 8.23138 26.32681 -0.009846 -0.00577 -0.003095
C 3.10721 8.02224 26.11613 0.006781 0.005436 -0.004165
C 5.75893 9.09905 28.13276 -0.004138 -0.004417 0.000327
C 4.69772 13.62533 29.09848 -0.01063 0.002323 -0.000207
C 5.3996 8.23128 26.95222 0.007754 -0.004211 -0.003036
C 3.5842 8.40247 28.50974 0.000488 0.003123 -0.001039
C 3.94741 8.02214 27.16268 -0.005811 0.004644 0.003762
C 3.58422 14.31399 28.50967 0.000991 -0.003493 -0.001978
C 1.74669 11.35839 23.50275 -0.000773 0.000202 -0.002344
C 6.54078 10.19974 27.97494 0.007679 0.005313 0.000324
C 5.70504 5.9777 28.13284 0.003359 0.003933 -0.001189
C 4.92326 4.87696 27.97485 -0.006323 -0.005504 0.002033
C 0.06588 4.88403 23.34335 -0.021414 -0.020441 -0.000457
C 5.16269 3.71846 28.78114 0.001093 -0.001046 -0.001732
C 7.52715 4.4417 23.08968 0.033753 -0.051955 -0.000245
C 4.30365 4.50232 26.65621 -0.00112 0.005315 -0.001223
C 5.36074 3.02974 24.28435 -0.032839 0.004059 -0.000367
C 5.79477 6.1864 25.64535 0.013133 0.018763 -0.00287
C 0.28877 5.98568 24.18132 0.005557 0.027213 -0.000234
C 6.70389 6.25855 24.51792 -0.006697 0.031305 0.001568
C 0.06584 2.55321 23.34231 -0.015835 0.024672 -0.000677
C 4.98015 5.11681 25.50397 -0.008325 -0.02403 0.002261
C 6.45069 5.13276 23.6642 -0.037944 0.016559 5.4e-05
C 1.26032 6.18645 27.63396 -0.002482 0.001624 0.000143
C 2.075 5.11685 27.77439 -0.00437 -0.005535 -0.001173
C 6.45068 2.30441 23.6637 -0.046592 -0.028523 -0.000213
C 0.35114 6.25844 28.76221 0.00988 -0.004027 -0.000651
C 2.75149 4.50237 26.62209 0.001177 0.002154 0.000115
C 7.52713 2.99555 23.08884 0.03265 0.063562 -0.000319
C 5.36078 4.40733 24.28458 -0.03507 -0.007139 -0.000133
C 6.06441 6.84548 26.95223 -0.007118 0.002403 0.003322
C 7.51658 7.05466 27.16308 0.007811 -0.002426 -0.002538
C 1.34997 5.97772 25.14679 0.010119 0.012973 -0.000319
C 0.28873 1.45158 24.18087 0.002543 -0.031004 -0.000633
C 0.99051 6.84544 26.32711 0.009093 0.005197 -0.000653
C 7.99369 6.67429 24.7697 -0.011851 0.021506 -0.000979
C 8.35679 7.05457 26.1164 -0.009429 -0.00521 0.002137
C 7.99368 0.76291 24.76919 -0.003358 -0.023263 0.000658
C 6.15626 3.71844 29.77533 -0.000415 -0.000337 0.000891
C 2.13188 4.87702 25.30375 0.011397 0.000994 -0.001256
168
energy=-1515.04607231 config_type=nep2xyz pbc="T T T" virial="-38.2544373165194 0.09456992149955937 -0.027794894669279122 0.09456992149955937 -43.56372474576679 0.008704301356340058 -0.027794894669279122 0.008704301356340058 -4.979322923241584" 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 19.97255 0.001459 -0.01403 -0.00509
C 1.47141 0.89094 19.98372 -0.016148 0.018801 0.002027
C 2.93782 0.89094 19.98833 0.002724 -0.003491 0.005635
C 3.67602 2.16424 19.98865 0.001495 0.010098 0.005695
C 0.73321 4.71084 19.96991 -0.000497 -0.002131 -0.006458
C 1.47141 3.43754 19.97427 0.006754 0.003926 -0.004527
C 2.93782 3.43754 19.98506 -0.014679 -0.005243 0.002894
C 3.67602 4.71084 19.98813 0.000931 0.000426 0.004922
C 0.73321 7.25743 19.98676 0.007436 -0.008753 0.004019
C 1.47141 5.98413 19.98256 -0.012144 -0.005095 0.001195
C 2.93782 5.98413 19.98818 -0.003049 -0.006816 0.00543
C 3.67602 7.25743 19.98777 -0.00241 0.008103 0.005718
C 0.73321 9.80403 19.98616 -0.001637 -0.003135 0.004424
C 1.47141 8.53073 19.9869 0.001412 0.00577 0.004728
C 2.93782 8.53073 19.98228 0.004808 0.008017 0.002202
C 3.67602 9.80403 19.97053 -0.00098 0.01013 -0.004349
C 0.73321 12.35062 19.98425 -0.007158 -0.001813 0.00289
C 1.47141 11.07732 19.97911 0.01788 0.006095 -0.000396
C 2.93782 11.07732 19.96658 -0.003479 -0.002593 -0.006486
C 3.67602 12.35062 19.96624 -0.005867 -0.00271 -0.006543
C 0.73321 14.89722 19.98665 0.008908 -0.009083 0.004008
C 1.47141 13.62392 19.98391 0.006569 0.005342 0.002534
C 2.93782 13.62392 19.97763 -0.004238 -0.009362 -0.000675
C 3.67602 14.89722 19.98619 -0.00475 -0.00499 0.004117
C 5.14244 2.16424 19.98638 0.004138 0.002406 0.003136
C 5.88064 0.89094 19.98676 -0.003635 -0.004696 0.003376
C 7.34705 0.89094 19.98083 0.010332 0.018597 -7.8e-05
C 8.08525 2.16424 19.96668 -0.01048 -0.006653 -0.007386
C 5.14244 4.71084 19.98497 0.004157 -0.005814 0.00185
C 5.88064 3.43754 19.9773 0.015419 0.003253 -0.002432
C 7.34705 3.43754 19.96155 -0.012278 -0.013778 -0.009458
C 8.08525 4.71084 19.96248 -0.003761 0.01971 -0.009209
C 5.14244 7.25743 19.98686 0.015491 -0.01515 0.004671
C 5.88064 5.98413 19.98369 0.004358 0.016689 0.001671
C 7.34705 5.98413 19.97569 0.004601 -0.0169 -0.002499
C 8.08525 7.25743 19.98539 -0.002653 -0.01027 0.003081
C 5.14244 9.80403 19.9742 0.002985 -0.008272 -0.002807
C 5.88064 8.53073 19.98395 -0.010026 0.01834 0.002985
C 7.34705 8.53073 19.98803 -0.008326 -0.000688 0.005632
C 8.08525 9.80403 19.98854 0.005267 0.012436 0.006238
C 5.14244 12.35062 19.97067 0.012269 0.000414 -0.004513
C 5.88064 11.07732 19.97583 -0.005483 0.007015 -0.002701
C 7.34705 11.07732 19.98573 -0.007699 -0.00548 0.003647
C 8.08525 12.35062 19.98737 0.012324 -0.001194 0.005179
C 5.14244 14.89722 19.98694 0.014617 -0.002136 0.004277
C 5.88064 13.62392 19.98197 -0.006101 -0.010542 0.001796
C 7.34705 13.62392 19.98731 -0.014069 -0.006449 0.005036
C 8.08525 14.89722 19.987 -0.000667 0.008386 0.004222
C 5.97942 13.61749 28.13271 -0.004774 0.003977 -0.000492
C 6.7612 12.51675 27.97485 0.007918 -0.006054 0.000717
C 2.80012 12.52382 23.34115 0.006942 -0.008857 -0.000706
C 6.52177 11.35825 28.7812 -0.001421 0.000874 -0.00097
C 4.15731 12.08148 23.08629 -0.013218 -0.054679 -0.000509
C 7.38081 12.14211 26.65614 0.001836 0.005142 -0.000997
C 6.32372 10.66953 24.28407 0.02503 -0.01596 0.000383
C 5.88969 13.82619 25.6452 -0.006671 0.011264 0.000939
C 2.57723 13.62547 24.1805 -0.001619 0.009337 -0.002181
C 4.98057 13.89834 24.5175 0.007962 0.009746 -0.001067
C 2.80016 10.193 23.34198 0.02391 0.014933 -0.00039
C 6.70432 12.7566 25.50392 0.001878 -0.015672 2.2e-05
C 5.23377 12.77254 23.66389 0.036399 0.014845 -0.000196
C 1.60568 13.82623 27.63359 0.003973 -0.000623 1e-05
C 0.79099 12.75663 27.77406 0.005134 -0.007 -0.001864
C 5.23378 9.9442 23.66442 0.026183 -0.002256 6.6e-05
C 2.51486 13.89822 28.76189 -0.009383 -0.003026 -0.001294
C 0.11451 12.14216 26.6217 0.000597 0.002181 4.6e-05
C 4.15733 10.63534 23.08708 -0.019842 0.039559 -0.000338
C 6.32368 12.04711 24.28393 0.017335 0.014905 -0.000259
C 5.62005 14.48526 26.95213 0.007377 0.00331 -0.001927
C 4.16788 14.69445 27.16272 -0.005872 -0.003152 0.005389
C 1.51603 13.61751 25.14591 0.006206 0.021724 0.000898
C 2.57727 9.09137 24.18077 -0.001269 -0.013094 -0.002317
C 1.87549 14.48522 26.32668 -0.009374 0.004293 -0.001531
C 3.69077 14.31407 24.76928 0.004128 0.017979 0.001419
C 3.32767 14.69436 26.11616 0.007156 -0.007073 -0.006572
C 3.69078 8.40269 24.76935 0.003284 -0.016184 0.002192
C 5.5282 11.35823 29.77541 0.000999 0.000431 0.000298
C 0.73412 12.51681 25.30308 -0.017889 -0.018814 -0.003516
C 1.57044 1.45934 25.14648 0.010126 -0.007198 -0.000476
C 2.35239 2.55997 25.30375 0.010852 -0.003844 -0.001278
C 7.20971 2.55303 29.93932 0.005693 -0.005063 -5.4e-05
C 2.11294 3.71854 24.49717 0.023471 0.000137 -0.000364
C 8.56691 2.99539 30.199 0.017 -0.002696 -0.000537
C 2.97196 2.93458 26.6221 0.002049 -0.002517 0.001169
C 1.91481 4.40723 28.9943 -0.00134 -0.001426 -0.000479
C 1.48077 1.25056 27.63378 -0.002759 -0.003239 7.1e-05
C 6.98676 1.45137 29.09843 0.010396 -0.001052 0.000244
C 0.57161 1.17847 28.76201 0.008646 0.002626 -0.000938
C 7.20968 4.88384 29.93947 0.004704 0.003924 1.1e-05
C 2.29549 2.32009 27.77435 -0.004179 0.004973 -0.002052
C 0.82487 2.30432 29.61598 0.004738 0.005012 -0.000494
C 6.01512 1.25049 25.64496 0.016437 -0.019309 -0.002052
C 5.20056 2.32013 25.50376 -0.007491 0.025505 0.002032
C 0.82485 5.13257 29.61612 0.006637 -0.003964 -0.000432
C 6.92433 1.17854 24.51746 -0.011178 -0.019844 0.001025
C 4.5241 2.93457 26.65618 -0.000169 -0.005896 -0.001518
C 8.56687 4.4415 30.19908 0.016997 0.002659 -0.000376
C 1.91485 3.02965 28.99426 -0.001105 0.001854 -0.000221
C 1.21096 0.59159 26.32683 0.008632 -0.005052 -0.000539
C 8.57725 0.38246 26.11604 -0.009616 0.007523 -0.002985
C 5.92553 1.45927 28.13264 0.004346 -0.004514 -0.000853
C 6.98674 5.98554 29.09866 0.008764 0.001731 0.000674
C 6.28487 0.59149 26.95198 -0.00773 -0.003607 0.001367
C 8.10027 0.76268 28.50962 -0.001128 0.00415 -0.000957
C 7.73705 0.38235 27.16265 0.006682 0.00284 0.002377
C 8.10024 6.6742 28.50993 -0.001073 -0.003638 0.0004
C 1.11931 3.7186 23.50466 -0.002727 0.003446 -0.000634
C 5.14368 2.55995 27.97481 -0.005717 0.005967 0.001706
C 1.51602 9.09912 25.14622 -0.003153 -0.017569 0.001718
C 0.73407 10.19976 25.30327 -0.012026 0.010849 -0.004033
C 4.69522 10.19281 29.93942 -0.005455 -0.004454 -0.00017
C 0.97353 11.35832 24.49635 -0.021317 0.001502 0.002575
C 3.33801 10.63518 30.19889 -0.017876 -0.003728 -0.000789
C 0.11451 10.57437 26.62178 0.000267 -0.001006 0.001684
C 1.17165 12.04702 28.994 0.001358 -0.000755 -0.001051
C 1.60569 8.89034 27.63363 0.003522 -0.000255 0.002085
C 4.91816 9.09115 29.09855 -0.011082 -0.001982 -0.000233
C 2.51485 8.81826 28.76193 -0.008412 0.002829 -0.001961
C 4.69524 12.52363 29.93938 -0.004997 0.005125 -0.000415
C 0.79097 9.95988 27.77417 0.005119 0.005923 -0.003497
C 2.26159 9.94411 29.61591 -0.008122 0.007285 -0.000732
C 5.8898 8.89028 25.64529 -0.00548 -0.011717 0.003183
C 6.70436 9.95992 25.50405 0.001111 0.015676 -0.001389
C 2.26161 12.77236 29.61584 -0.006323 -0.005389 -0.00097
C 4.98059 8.81833 24.51773 0.010548 -0.014511 -0.001728
C 7.38082 10.57436 26.65622 0.002149 -0.005278 9.1e-05
C 3.33805 12.08129 30.19885 -0.0191 0.005956 -0.00092
C 1.17161 10.66944 28.99412 0.001271 0.001265 -0.000372
C 1.8755 8.23138 26.32684 -0.010156 -0.006128 -0.002671
C 3.32767 8.02224 26.1162 0.00551 0.00519 -0.00627
C 5.97939 9.09905 28.13277 -0.004256 -0.004291 0.000337
C 4.91818 13.62533 29.09852 -0.010338 0.002232 -0.000165
C 5.62006 8.23128 26.95224 0.008252 -0.004492 -0.003251
C 3.80466 8.40247 28.50978 0.000552 0.002664 -0.001443
C 4.16787 8.02214 27.16269 -0.004804 0.004922 0.00562
C 3.80468 14.31399 28.50973 0.001153 -0.002999 -0.002153
C 1.96715 11.35839 23.5026 -0.007354 0.001057 -0.002409
C 6.76124 10.19974 27.97493 0.007379 0.00543 0.00031
C 5.9255 5.9777 28.13286 0.003495 0.00378 -0.001025
C 5.14372 4.87696 27.97488 -0.006292 -0.005587 0.001764
C 0.28634 4.88403 23.34321 -0.016743 -0.016232 -0.000509
C 5.38315 3.71846 28.78117 0.001289 -0.000841 -0.001242
C 7.74761 4.4417 23.08918 0.032702 -0.050317 -0.000246
C 4.52411 4.50232 26.65624 -0.000938 0.005065 -0.001161
C 5.5812 3.02974 24.28437 -0.03085 2.6e-05 -0.000122
C 6.01523 6.1864 25.64534 0.01369 0.018877 -0.002792
C 0.50923 5.98568 24.18132 0.004283 0.02379 7.5e-05
C 6.92435 6.25855 24.51789 -0.006563 0.028856 0.00159
C 0.2863 2.55321 23.34233 -0.016291 0.023198 -0.000704
C 5.20061 5.11681 25.50398 -0.008267 -0.024344 0.002221
C 6.67115 5.13276 23.66415 -0.041764 0.015832 4.7e-05
C 1.48078 6.18645 27.634 -0.002506 0.001842 -0.000474
C 2.29547 5.11685 27.77443 -0.004387 -0.005617 -0.000724
C 6.67114 2.30441 23.66382 -0.047869 -0.025677 -0.000157
C 0.5716 6.25844 28.76224 0.009772 -0.003748 -0.000329
C 2.97195 4.50237 26.62214 0.001399 0.002091 -0.00028
C 7.74759 2.99555 23.08854 0.033769 0.057774 -0.000309
C 5.58124 4.40733 24.28456 -0.030639 -0.003665 -0.00011
C 6.28488 6.84548 26.95224 -0.007129 0.002283 0.003232
C 7.73704 7.05466 27.1631 0.007722 -0.001959 -0.002682
C 1.57043 5.97772 25.14682 0.009197 0.012359 -0.000767
C 0.50919 1.45158 24.18093 0.000641 -0.029601 -0.000322
C 1.21097 6.84544 26.32713 0.009145 0.005421 -0.000132
C 8.21415 6.67429 24.76973 -0.011843 0.021191 -0.001208
C 8.57725 7.05457 26.11641 -0.009597 -0.005304 0.002428
C 8.21414 0.76291 24.76924 -0.001378 -0.022036 5.1e-05
C 6.37672 3.71844 29.77536 -0.000556 -0.000289 0.000771
C 2.35234 4.87702 25.30381 0.011582 0.001255 -0.000589
168
energy=-1515.04474244 config_type=nep2xyz pbc="T T T" virial="-38.289338621474776 0.06673297706527377 -0.0268697998391367 0.06673297706527377 -43.59547231834667 0.010260142661579584 -0.0268697998391367 0.010260142661579584 -4.942487329095913" 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 19.97168 0.001622 -0.011846 -0.005344
C 1.47141 0.89094 19.98334 -0.014446 0.0179 0.001949
C 2.93782 0.89094 19.98831 0.000842 -0.003202 0.005683
C 3.67602 2.16424 19.98883 0.000459 0.010458 0.005692
C 0.73321 4.71084 19.9686 0.002228 -0.002572 -0.007028
C 1.47141 3.43754 19.97312 0.00169 0.004704 -0.005043
C 2.93782 3.43754 19.98474 -0.012178 -0.004131 0.002546
C 3.67602 4.71084 19.9882 0.001085 -0.00236 0.00501
C 0.73321 7.25743 19.98656 0.006513 -0.007759 0.003864
C 1.47141 5.98413 19.98173 -0.009737 -0.007768 0.000752
C 2.93782 5.98413 19.98786 -0.005643 -0.004488 0.005189
C 3.67602 7.25743 19.98767 -0.00258 0.005868 0.005515
C 0.73321 9.80403 19.98714 -0.002269 0.000903 0.004938
C 1.47141 8.53073 19.98737 0.002844 0.002638 0.005135
C 2.93782 8.53073 19.98255 0.005212 0.009765 0.002344
C 3.67602 9.80403 19.97077 -0.001068 0.007858 -0.004403
C 0.73321 12.35062 19.98558 -0.006272 -0.003436 0.003687
C 1.47141 11.07732 19.98096 0.015166 0.004822 0.0007
C 2.93782 11.07732 19.96845 0.00207 0.000821 -0.005843
C 3.67602 12.35062 19.96655 -0.007422 -0.006543 -0.006557
C 0.73321 14.89722 19.98681 0.007276 -0.006194 0.004175
C 1.47141 13.62392 19.98499 0.00827 0.003956 0.003392
C 2.93782 13.62392 19.97857 -0.004674 -0.010852 -0.000232
C 3.67602 14.89722 19.98628 -0.003729 -0.003833 0.004133
C 5.14244 2.16424 19.98718 0.002308 0.001037 0.003572
C 5.88064 0.89094 19.98688 -0.000454 -0.0043 0.003399
C 7.34705 0.89094 19.98079 0.010449 0.020115 -0.000141
C 8.08525 2.16424 19.96688 -0.01344 -0.006085 -0.007226
C 5.14244 4.71084 19.98583 0.001344 -0.002233 0.002431
C 5.88064 3.43754 19.97901 0.022589 0.002209 -0.001673
C 7.34705 3.43754 19.9626 -0.013622 -0.012255 -0.008954
C 8.08525 4.71084 19.96256 -0.007976 0.01817 -0.009139
C 5.14244 7.25743 19.98679 0.013913 -0.011596 0.004416
C 5.88064 5.98413 19.98419 0.00689 0.013537 0.001903
C 7.34705 5.98413 19.97587 0.004811 -0.016614 -0.002471
C 8.08525 7.25743 19.98528 -0.002914 -0.010776 0.002848
C 5.14244 9.80403 19.9725 0.006233 -0.005482 -0.00381
C 5.88064 8.53073 19.98306 -0.008825 0.017761 0.002125
C 7.34705 8.53073 19.98766 -0.009358 0.000241 0.004836
C 8.08525 9.80403 19.98842 0.004133 0.010217 0.005759
C 5.14244 12.35062 19.96856 0.015108 0.002871 -0.005642
C 5.88064 11.07732 19.9728 -0.000101 0.004389 -0.004132
C 7.34705 11.07732 19.98453 -0.013366 -0.004246 0.002456
C 8.08525 12.35062 19.98723 0.010722 -0.001386 0.004645
C 5.14244 14.89722 19.98645 0.01306 -0.004561 0.003833
C 5.88064 13.62392 19.98029 -0.004846 -0.011346 0.000669
C 7.34705 13.62392 19.98655 -0.015688 -0.004218 0.004171
C 8.08525 14.89722 19.98676 -0.001342 0.005925 0.003887
C 6.19988 13.61749 28.13276 -0.00456 0.003712 -0.00076
C 6.98166 12.51675 27.97487 0.007561 -0.006079 0.001177
C 3.02058 12.52382 23.3414 0.007894 -0.007503 -0.000504
C 6.74224 11.35825 28.78123 -0.001321 0.000693 -0.001197
C 4.37777 12.08148 23.08639 -0.015211 -0.057582 -0.000431
C 7.60127 12.14211 26.65618 0.001645 0.004901 -0.001378
C 6.54418 10.66953 24.28406 0.023401 -0.019907 0.000461
C 6.11015 13.82619 25.64526 -0.007479 0.011446 0.000327
C 2.79769 13.62547 24.18062 -0.002971 0.008764 -0.002307
C 5.20103 13.89834 24.51761 0.007172 0.012524 -0.000751
C 3.02062 10.193 23.34202 0.025607 0.016165 -0.000305
C 6.92478 12.7566 25.50394 0.003038 -0.016115 0.000603
C 5.45423 12.77254 23.66398 0.0379 0.012065 -8.9e-05
C 1.82614 13.82623 27.63365 0.003793 -0.000617 0.000271
C 1.01146 12.75663 27.77412 0.004901 -0.007069 -0.001939
C 5.45424 9.9442 23.66446 0.029153 -0.002393 9.2e-05
C 2.73532 13.89822 28.76195 -0.009501 -0.00305 -0.001198
C 0.33497 12.14216 26.62176 0.000514 0.001972 0.000532
C 4.37779 10.63534 23.08702 -0.022862 0.043355 -0.000275
C 6.54414 12.04711 24.28395 0.015277 0.017635 -0.000319
C 5.84051 14.48526 26.95218 0.007427 0.003077 -0.000931
C 4.38835 14.69445 27.16281 -0.005763 -0.002808 0.00426
C 1.73649 13.61751 25.14601 0.005624 0.020961 0.001112
C 2.79774 9.09137 24.1808 -0.001411 -0.014684 -0.002447
C 2.09595 14.48522 26.32677 -0.009707 0.004903 -0.001779
C 3.91123 14.31407 24.76941 0.007243 0.016551 0.001239
C 3.54813 14.69436 26.11624 0.006942 -0.00656 -0.005275
C 3.91125 8.40269 24.76938 0.002705 -0.014805 0.002775
C 5.74867 11.35823 29.77543 0.000956 0.000329 0.000462
C 0.95459 12.51681 25.30316 -0.017801 -0.018433 -0.003846
C 1.7909 1.45934 25.14655 0.010324 -0.00622 -0.000568
C 2.57286 2.55997 25.30379 0.010282 -0.004435 -0.001117
C 7.43017 2.55303 29.93937 0.005635 -0.004961 1.2e-05
C 2.3334 3.71854 24.49711 0.018379 0.001036 -0.000512
C 8.78737 2.99539 30.19901 0.017034 -0.003016 -0.000476
C 3.19242 2.93458 26.62213 0.002004 -0.001963 0.00096
C 2.13527 4.40723 28.9943 -0.001233 -0.001246 -0.000509
C 1.70123 1.25056 27.63382 -0.002685 -0.003001 0.000182
C 7.20723 1.45137 29.09849 0.010468 -0.001154 0.000207
C 0.79207 1.17847 28.76204 0.00833 0.002488 -0.000903
C 7.43014 4.88384 29.93949 0.004761 0.004098 1.9e-05
C 2.51595 2.32009 27.77439 -0.004315 0.005064 -0.002013
C 1.04533 2.30432 29.61603 0.005296 0.005584 -0.000427
C 6.23559 1.25049 25.64505 0.015202 -0.018441 -0.000968
C 5.42102 2.32013 25.50386 -0.006385 0.02465 0.001236
C 1.04531 5.13257 29.61612 0.006513 -0.004285 -0.000414
C 7.14479 1.17854 24.51757 -0.012595 -0.017423 0.000635
C 4.74456 2.93457 26.65623 -0.000425 -0.005443 -0.000664
C 8.78733 4.4415 30.19907 0.01727 0.003366 -0.00038
C 2.13531 3.02965 28.9943 -0.001068 0.001676 -0.000191
C 1.43142 0.59159 26.32688 0.008927 -0.005638 -0.000222
C 8.79771 0.38246 26.11612 -0.008562 0.006831 -0.004002
C 6.14599 1.45927 28.1327 0.00442 -0.004449 -0.000486
C 7.2072 5.98554 29.09868 0.008947 0.001752 0.000634
C 6.50533 0.59149 26.95207 -0.008313 -0.004162 0.000392
C 8.32073 0.76268 28.50969 -0.000871 0.003857 -0.00115
C 7.95751 0.38235 27.16269 0.006077 0.003169 0.003662
C 8.3207 6.6742 28.50995 -0.001043 -0.003541 0.000242
C 1.33977 3.7186 23.50449 0.004023 0.003873 -0.000585
C 5.36414 2.55995 27.97488 -0.005884 0.006004 0.001397
C 1.73648 9.09912 25.14628 -0.004182 -0.01529 0.002027
C 0.95453 10.19976 25.30336 -0.011681 0.009176 -0.004323
C 4.91568 10.19281 29.93944 -0.005399 -0.004432 -0.000103
C 1.19399 11.35832 24.49641 -0.017818 0.00205 0.003071
C 3.55848 10.63518 30.19891 -0.017853 -0.003945 -0.000717
C 0.33497 10.57437 26.62183 5.6e-05 -0.000815 0.001957
C 1.39211 12.04702 28.99405 0.0013 -0.000691 -0.000849
C 1.82615 8.89034 27.63367 0.003353 -0.000325 0.002365
C 5.13862 9.09115 29.09857 -0.010988 -0.001874 -0.000196
C 2.73531 8.81826 28.76196 -0.00819 0.002606 -0.002016
C 4.9157 12.52363 29.93942 -0.004919 0.004932 -0.000364
C 1.01143 9.95988 27.77422 0.004896 0.005942 -0.003591
C 2.48205 9.94411 29.61594 -0.007902 0.007385 -0.000624
C 6.11026 8.89028 25.64529 -0.006502 -0.012167 0.003377
C 6.92482 9.95992 25.50404 0.001646 0.016545 -0.0014
C 2.48208 12.77236 29.61589 -0.006462 -0.005473 -0.000884
C 5.20105 8.81833 24.51778 0.011469 -0.014085 -0.001779
C 7.60128 10.57436 26.65623 0.00187 -0.005077 0.000316
C 3.55851 12.08129 30.19889 -0.018908 0.00595 -0.00086
C 1.39207 10.66944 28.99415 0.001201 0.001311 -0.000209
C 2.09596 8.23138 26.32687 -0.010243 -0.006439 -0.002617
C 3.54813 8.02224 26.11625 0.004772 0.005134 -0.007899
C 6.19985 9.09905 28.13279 -0.004344 -0.004191 0.00034
C 5.13864 13.62533 29.09857 -0.010132 0.002076 0.000115
C 5.84052 8.23128 26.95226 0.008767 -0.00474 -0.003506
C 4.02512 8.40247 28.50981 0.000562 0.002467 -0.001712
C 4.38834 8.02214 27.1627 -0.004156 0.004962 0.00724
C 4.02514 14.31399 28.5098 0.001146 -0.00275 -0.001804
C 2.18761 11.35839 23.50268 -0.01361 0.002012 -0.002462
C 6.9817 10.19974 27.97494 0.007103 0.005607 0.000493
C 6.14596 5.9777 28.13288 0.003627 0.003679 -0.001099
C 5.36418 4.87696 27.97491 -0.006315 -0.005724 0.001934
C 0.5068 4.88403 23.34291 -0.013236 -0.01191 -0.000563
C 5.60361 3.71846 28.78122 0.001282 -0.000562 -0.001197
C 7.96807 4.4417 23.08857 0.030044 -0.050735 -0.000248
C 4.74457 4.50232 26.65628 -0.001066 0.004763 -0.001642
C 5.80167 3.02974 24.28438 -0.027978 -0.005814 9.4e-05
C 6.23569 6.1864 25.64536 0.013316 0.017778 -0.003087
C 0.72969 5.98568 24.18125 0.00338 0.019969 0.000148
C 7.14482 6.25855 24.51788 -0.006947 0.025846 0.001676
C 0.50676 2.55321 23.34227 -0.018045 0.021014 -0.000672
C 5.42107 5.11681 25.504 -0.007871 -0.023403 0.002585
C 6.89161 5.13276 23.66417 -0.043539 0.013923 1.3e-05
C 1.70124 6.18645 27.634 -0.002635 0.001642 -0.000594
C 2.51593 5.11685 27.77443 -0.004497 -0.005855 -0.000731
C 6.89161 2.30441 23.66403 -0.046653 -0.020636 -8.1e-05
C 0.79206 6.25844 28.76223 0.009692 -0.003431 -0.000349
C 3.19241 4.50237 26.62214 0.00133 0.001925 -0.000154
C 7.96805 2.99555 23.08818 0.033606 0.053173 -0.000267
C 5.8017 4.40733 24.28453 -0.025275 0.001729 -0.000241
C 6.50534 6.84548 26.95226 -0.007244 0.002403 0.003323
C 7.9575 7.05466 27.1631 0.007428 -0.001712 -0.002068
C 1.7909 5.97772 25.14676 0.006762 0.012583 -0.000907
C 0.72965 1.45158 24.18095 -0.000601 -0.027319 -0.00022
C 1.43143 6.84544 26.32712 0.009334 0.005674 0.00011
C 8.43461 6.67429 24.76973 -0.011218 0.019809 -0.001072
C 8.79772 7.05457 26.11643 -0.009242 -0.005394 0.001637
C 8.4346 0.76291 24.7693 0.000206 -0.019922 0.000463
C 6.59718 3.71844 29.77541 -0.000602 -0.000198 0.000784
C 2.5728 4.87702 25.30378 0.012543 -0.000752 -0.000547
168
energy=-1515.04356154 config_type=nep2xyz pbc="T T T" virial="-38.32936999776094 0.03431260824528255 -0.01816549848279664 0.03431260824528255 -43.59610306482177 0.004331125795666793 -0.01816549848279664 0.004331125795666793 -4.916879022206971" 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 19.97135 0.001415 -0.007946 -0.005854
C 1.47141 0.89094 19.98302 -0.011612 0.016617 0.002078
C 2.93782 0.89094 19.98804 -0.00145 -0.002462 0.006009
C 3.67602 2.16424 19.98858 0.000596 0.009759 0.006242
C 0.73321 4.71084 19.96793 0.004639 -0.0042 -0.007709
C 1.47141 3.43754 19.97233 -0.002539 0.005172 -0.005851
C 2.93782 3.43754 19.98417 -0.011185 -0.002208 0.002444
C 3.67602 4.71084 19.98783 0.00235 -0.004308 0.005197
C 0.73321 7.25743 19.9863 0.004639 -0.006048 0.004059
C 1.47141 5.98413 19.98095 -0.005526 -0.010143 0.000373
C 2.93782 5.98413 19.98725 -0.008059 -0.002279 0.005184
C 3.67602 7.25743 19.98732 -0.002485 0.00306 0.005554
C 0.73321 9.80403 19.98773 -0.002102 0.004785 0.005748
C 1.47141 8.53073 19.98759 0.003639 0.000239 0.00564
C 2.93782 8.53073 19.98269 0.006414 0.012369 0.002427
C 3.67602 9.80403 19.97104 -0.001212 0.003229 -0.005176
C 0.73321 12.35062 19.98653 -0.005096 -0.004681 0.004501
C 1.47141 11.07732 19.98236 0.012881 0.002714 0.001458
C 2.93782 11.07732 19.97017 0.005052 0.003334 -0.006188
C 3.67602 12.35062 19.96704 -0.007601 -0.007542 -0.007502
C 0.73321 14.89722 19.98688 0.004967 -0.00319 0.004771
C 1.47141 13.62392 19.98585 0.009312 0.002176 0.00426
C 2.93782 13.62392 19.97943 -0.002863 -0.011905 -2.7e-05
C 3.67602 14.89722 19.98619 -0.002792 -0.003631 0.00427
C 5.14244 2.16424 19.98757 0.000191 0.001353 0.004477
C 5.88064 0.89094 19.98686 0.003393 -0.002691 0.003812
C 7.34705 0.89094 19.98101 0.009545 0.020323 1.1e-05
C 8.08525 2.16424 19.96793 -0.013788 -0.004804 -0.007484
C 5.14244 4.71084 19.9863 -0.002313 -4.6e-05 0.003216
C 5.88064 3.43754 19.98056 0.026287 0.0009 -0.000851
C 7.34705 3.43754 19.9646 -0.013403 -0.00908 -0.008891
C 8.08525 4.71084 19.9636 -0.011622 0.014838 -0.009494
C 5.14244 7.25743 19.98656 0.010256 -0.007104 0.004384
C 5.88064 5.98413 19.9846 0.010324 0.008809 0.002359
C 7.34705 5.98413 19.97649 0.004345 -0.015759 -0.002295
C 8.08525 7.25743 19.98524 -0.003838 -0.010485 0.002893
C 5.14244 9.80403 19.97091 0.009512 -0.004033 -0.005435
C 5.88064 8.53073 19.98218 -0.008241 0.018287 0.001345
C 7.34705 8.53073 19.9872 -0.009011 0.000348 0.004549
C 8.08525 9.80403 19.98809 0.003013 0.006835 0.005482
C 5.14244 12.35062 19.96673 0.015584 0.006514 -0.007464
C 5.88064 11.07732 19.96987 0.006052 0.000256 -0.006102
C 7.34705 11.07732 19.9832 -0.020283 -0.002539 0.001448
C 8.08525 12.35062 19.98689 0.008518 -0.000519 0.004449
C 5.14244 14.89722 19.98586 0.009801 -0.007187 0.003535
C 5.88064 13.62392 19.97874 -0.004085 -0.012704 -0.000553
C 7.34705 13.62392 19.98573 -0.015532 -0.000829 0.003749
C 8.08525 14.89722 19.98651 -0.002989 0.002397 0.004084
C 6.42034 13.61749 28.13278 -0.005149 0.003294 0.001876
C 7.20213 12.51675 27.97497 0.008468 -0.005614 -0.002964
C 3.24105 12.52382 23.34176 0.008764 -0.007614 -0.001619
C 6.9627 11.35825 28.78119 -0.003279 0.000266 0.003359
C 4.59823 12.08148 23.08674 -0.017997 -0.058036 -0.000385
C 7.82173 12.14211 26.65617 0.001825 0.004349 0.003217
C 6.76464 10.66953 24.28414 0.022431 -0.020418 -0.000101
C 6.33061 13.82619 25.6453 -0.008828 0.013222 0.0015
C 3.01815 13.62547 24.18074 -0.004636 0.011578 0.002117
C 5.42149 13.89834 24.51772 0.006897 0.015933 -3e-05
C 3.24108 10.193 23.34209 0.025534 0.018002 -0.001567
C 7.14524 12.7566 25.50402 0.003618 -0.017453 -0.002002
C 5.6747 12.77254 23.6641 0.039741 0.010314 -0.000163
C 2.0466 13.82623 27.63381 0.003412 0.000905 -0.003063
C 1.23192 12.75663 27.7742 0.005261 -0.006851 0.000803
C 5.6747 9.9442 23.66447 0.033316 -0.004441 -0.000212
C 2.95578 13.89822 28.76204 -0.009253 -0.003295 0.000146
C 0.55544 12.14216 26.62193 7.7e-05 0.001641 -0.003502
C 4.59825 10.63534 23.08715 -0.0262 0.046584 -0.00033
C 6.7646 12.04711 24.28407 0.015345 0.017504 0.00086
C 6.06097 14.48526 26.95226 0.007435 0.002786 -0.001732
C 4.60881 14.69445 27.16295 -0.007099 -0.002128 -3e-06
C 1.95695 13.61751 25.14629 0.005516 0.018367 -0.004611
C 3.0182 9.09137 24.18079 -0.002276 -0.019375 0.002806
C 2.31641 14.48522 26.32685 -0.010014 0.005485 0.001572
C 4.1317 14.31407 24.76958 0.009322 0.014989 -0.002116
C 3.76859 14.69436 26.11629 0.008102 -0.005851 0.000202
C 4.13171 8.40269 24.76947 0.002218 -0.01235 -0.003058
C 5.96913 11.35823 29.77548 0.002025 9.4e-05 -0.001022
C 1.17505 12.51681 25.30323 -0.019176 -0.014374 0.004372
C 2.01137 1.45934 25.14657 0.008956 -0.006546 -0.001582
C 2.79332 2.55997 25.30371 0.011275 -0.002584 0.001299
C 7.65063 2.55303 29.93942 0.005356 -0.004616 0.000146
C 2.55386 3.71854 24.497 0.013441 0.001823 -0.002476
C 0.18937 2.99539 30.19901 0.017213 -0.003375 -0.000455
C 3.41288 2.93458 26.62217 0.001877 -0.001143 -0.003138
C 2.35573 4.40723 28.99429 -0.001164 -0.001087 -0.000798
C 1.92169 1.25056 27.63389 -0.002507 -0.003797 -0.003754
C 7.42769 1.45137 29.09854 0.010159 -0.001333 -0.000278
C 1.01254 1.17847 28.76203 0.007829 0.003078 0.001172
C 7.6506 4.88384 29.9395 0.004698 0.003934 0.000287
C 2.73641 2.32009 27.77434 -0.005422 0.005647 0.002165
C 1.2658 2.30432 29.61606 0.006037 0.005865 -0.000943
C 6.45605 1.25049 25.64515 0.013183 -0.017284 0.00109
C 5.64148 2.32013 25.50396 -0.005185 0.022701 -0.000419
C 1.26577 5.13257 29.61611 0.006564 -0.0045 -0.000794
C 7.36525 1.17854 24.51769 -0.013477 -0.015512 -0.000255
C 4.96502 2.93457 26.65625 -0.000836 -0.005081 0.00132
C 0.18933 4.4415 30.19905 0.0177 0.004197 -0.0004
C 2.35577 3.02965 28.99433 -0.000522 0.001204 -0.001434
C 1.65188 0.59159 26.32691 0.009297 -0.006044 0.00109
C 0.19971 0.38246 26.11613 -0.008912 0.005627 0.001031
C 6.36645 1.45927 28.13273 0.004911 -0.00426 0.001289
C 7.42767 5.98554 29.0987 0.008712 0.002217 -0.000698
C 6.72579 0.59149 26.95215 -0.008574 -0.004564 -0.000583
C 8.54119 0.76268 28.50976 -0.000541 0.003563 -0.000645
C 8.17797 0.38235 27.16278 0.007225 0.003216 -0.000588
C 8.54116 6.6742 28.50996 -0.000922 -0.003182 -0.000695
C 1.56023 3.7186 23.50407 0.011752 0.003938 -0.000234
C 5.58461 2.55995 27.97496 -0.006894 0.005777 -0.001792
C 1.95694 9.09912 25.14648 -0.003672 -0.011314 -0.005421
C 1.17499 10.19976 25.30339 -0.01411 0.004719 0.005172
C 5.13614 10.19281 29.93945 -0.005173 -0.004307 8.3e-05
C 1.41445 11.35832 24.49671 -0.009725 0.002393 -0.00831
C 3.77894 10.63518 30.19896 -0.017733 -0.004004 -0.000698
C 0.55543 10.57437 26.62203 -0.000695 -0.000409 -0.00489
C 1.61257 12.04702 28.99415 0.001075 -0.000806 -0.001178
C 2.04661 8.89034 27.63384 0.002894 -0.003152 -0.005331
C 5.35908 9.09115 29.09858 -0.010425 -0.001644 -0.000268
C 2.95577 8.81826 28.76197 -0.007596 0.003398 0.001461
C 5.13617 12.52363 29.93947 -0.004756 0.004339 9.8e-05
C 1.23189 9.95988 27.77422 0.006162 0.006211 0.002729
C 2.70251 9.94411 29.61602 -0.007451 0.006935 -0.001035
C 6.33072 8.89028 25.64535 -0.009046 -0.012257 -0.002389
C 7.14529 9.95992 25.50401 0.003211 0.017663 0.001277
C 2.70254 12.77236 29.61599 -0.006475 -0.005223 -0.000955
C 5.42151 8.81833 24.51776 0.013302 -0.015069 0.001873
C 7.82175 10.57436 26.65626 0.00154 -0.004963 0.000442
C 3.77897 12.08129 30.19896 -0.018669 0.005668 -0.000695
C 1.61254 10.66944 28.99425 0.0005 0.001002 -0.001713
C 2.31642 8.23138 26.32684 -0.0103 -0.006549 0.003748
C 3.76859 8.02224 26.11617 0.007267 0.004482 0.001402
C 6.42032 9.09905 28.13279 -0.004709 -0.004343 0.000752
C 5.3591 13.62533 29.09865 -0.00926 0.002422 -0.001035
C 6.06098 8.23128 26.9522 0.008536 -0.005117 0.001636
C 4.24558 8.40247 28.50983 0.000569 0.002595 -0.001082
C 4.6088 8.02214 27.16281 -0.006957 0.004033 -0.000736
C 4.2456 14.31399 28.50988 0.001014 -0.00302 -0.000621
C 2.40807 11.35839 23.50297 -0.020068 0.002898 0.001938
C 7.20216 10.19974 27.97499 0.00713 0.005462 -0.001733
C 6.36642 5.9777 28.13283 0.004818 0.003135 0.002483
C 5.58464 4.87696 27.97499 -0.008059 -0.005556 -0.002771
C 0.72726 4.88403 23.34253 -0.010724 -0.008643 -0.000575
C 5.82407 3.71846 28.78119 0.003278 -0.000348 0.003417
C 8.18854 4.4417 23.08791 0.026304 -0.053047 -0.000233
C 4.96504 4.50232 26.65623 -0.001392 0.004284 0.003571
C 6.02213 3.02974 24.28433 -0.025231 -0.012287 0.00039
C 6.45616 6.1864 25.64528 0.011546 0.018049 0.004452
C 0.95016 5.98568 24.18113 0.003082 0.015917 -0.000479
C 7.36528 6.25855 24.51789 -0.006426 0.021855 -0.001538
C 0.72722 2.55321 23.3422 -0.020684 0.019061 -0.000596
C 5.64153 5.11681 25.50409 -0.005823 -0.021956 -0.00283
C 7.11207 5.13276 23.66419 -0.043391 0.012005 0.000362
C 1.9217 6.18645 27.63397 -0.002643 0.001625 -0.001651
C 2.73639 5.11685 27.77438 -0.004718 -0.006196 0.000435
C 7.11207 2.30441 23.66424 -0.043227 -0.014895 0.000294
C 1.01252 6.25844 28.76219 0.009309 -0.003443 0.000339
C 3.41287 4.50237 26.62212 0.00099 0.001746 -0.001786
C 8.18851 2.99555 23.0878 0.032342 0.050397 -0.000283
C 6.02216 4.40733 24.2844 -0.020866 0.008275 0.001234
C 6.7258 6.84548 26.95235 -0.007732 0.002237 -0.003698
C 8.17796 7.05466 27.16305 0.006548 -0.001975 0.001675
C 2.01136 5.97772 25.14663 0.003075 0.013798 -0.000771
C 0.95011 1.45158 24.18094 -0.000512 -0.024331 -0.000123
C 1.6519 6.84544 26.32708 0.009585 0.005908 -0.000514
C 8.65507 6.67429 24.7697 -0.010325 0.018381 9e-05
C 0.19972 7.05457 26.11643 -0.008167 -0.005635 -0.000819
C 8.65506 0.76291 24.76938 0.000358 -0.016798 -0.000839
C 6.81764 3.71844 29.77546 -0.001767 -0.000151 -0.000802
C 2.79326 4.87702 25.30365 0.014341 -0.00484 0.000634
168
energy=-1515.04313183 config_type=nep2xyz pbc="T T T" virial="-38.3453489084634 0.0 0.0 0.0 -43.597953254482064 0.004415225325679739 0.0 0.004415225325679739 -4.903212848579867" 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 19.97113 0.001286 -0.002611 -0.005596
C 1.47141 0.89094 19.98285 -0.008625 0.01486 0.002279
C 2.93782 0.89094 19.98786 -0.00329 -0.001321 0.005863
C 3.67602 2.16424 19.98827 0.001424 0.007784 0.006129
C 0.73321 4.71084 19.96737 0.006562 -0.006213 -0.007698
C 1.47141 3.43754 19.97136 -0.004955 0.0048 -0.005944
C 2.93782 3.43754 19.98343 -0.011743 0.000286 0.002023
C 3.67602 4.71084 19.98733 0.003809 -0.004975 0.004896
C 0.73321 7.25743 19.98622 0.00296 -0.004512 0.004094
C 1.47141 5.98413 19.9802 -0.000989 -0.011914 0.000165
C 2.93782 5.98413 19.98664 -0.009333 -3.9e-05 0.004697
C 3.67602 7.25743 19.98711 -0.003118 -7.2e-05 0.005196
C 0.73321 9.80403 19.98827 -0.001424 0.007784 0.006129
C 1.47141 8.53073 19.98786 0.00329 -0.001321 0.005863
C 2.93782 8.53073 19.98285 0.008625 0.01486 0.002279
C 3.67602 9.80403 19.97113 -0.001286 -0.002611 -0.005596
C 0.73321 12.35062 19.98733 -0.003809 -0.004975 0.004896
C 1.47141 11.07732 19.98343 0.011743 0.000286 0.002023
C 2.93782 11.07732 19.97136 0.004955 0.0048 -0.005944
C 3.67602 12.35062 19.96737 -0.006562 -0.006213 -0.007698
C 0.73321 14.89722 19.98711 0.003118 -7.2e-05 0.005196
C 1.47141 13.62392 19.98664 0.009333 -3.9e-05 0.004697
C 2.93782 13.62392 19.9802 0.000989 -0.011914 0.000165
C 3.67602 14.89722 19.98622 -0.00296 -0.004512 0.004094
C 5.14244 2.16424 19.98787 -0.001629 0.003415 0.004946
C 5.88064 0.89094 19.98699 0.006879 -0.00073 0.004058
C 7.34705 0.89094 19.98149 0.008547 0.019561 0.000526
C 8.08525 2.16424 19.96926 -0.012433 -0.00389 -0.006541
C 5.14244 4.71084 19.98664 -0.005766 0.000356 0.003817
C 5.88064 3.43754 19.9819 0.025146 -0.000878 0.000265
C 7.34705 3.43754 19.96699 -0.010935 -0.004554 -0.007661
C 8.08525 4.71084 19.96495 -0.014197 0.010732 -0.008615
C 5.14244 7.25743 19.98649 0.00603 -0.002132 0.004182
C 5.88064 5.98413 19.98511 0.013593 0.003635 0.002951
C 7.34705 5.98413 19.97743 0.003907 -0.014388 -0.001642
C 8.08525 7.25743 19.98547 -0.006123 -0.009248 0.003093
C 5.14244 9.80403 19.96926 0.012433 -0.00389 -0.006541
C 5.88064 8.53073 19.98149 -0.008547 0.019561 0.000526
C 7.34705 8.53073 19.98699 -0.006879 -0.00073 0.004058
C 8.08525 9.80403 19.98787 0.001629 0.003415 0.004946
C 5.14244 12.35062 19.96495 0.014197 0.010732 -0.008615
C 5.88064 11.07732 19.96699 0.010935 -0.004554 -0.007661
C 7.34705 11.07732 19.9819 -0.025146 -0.000878 0.000265
C 8.08525 12.35062 19.98664 0.005766 0.000356 0.003817
C 5.14244 14.89722 19.98547 0.006123 -0.009248 0.003093
C 5.88064 13.62392 19.97743 -0.003907 -0.014388 -0.001642
C 7.34705 13.62392 19.98511 -0.013593 0.003635 0.002951
C 8.08525 14.89722 19.98649 -0.00603 -0.002132 0.004182
C 6.64081 13.61749 28.13282 -0.00504 0.003135 0.002535
C 7.42259 12.51675 27.975 0.008388 -0.00557 -0.003218
C 3.46151 12.52382 23.34212 0.009521 -0.007356 -0.001127
C 7.18316 11.35825 28.7812 -0.003431 -4.4e-05 0.00377
C 4.81869 12.08148 23.08727 -0.02201 -0.056082 -0.000289
C 8.04219 12.14211 26.65621 0.001663 0.0042 0.003731
C 6.9851 10.66953 24.28424 0.023124 -0.017598 0.000113
C 6.55107 13.82619 25.6453 -0.010155 0.015658 0.003358
C 3.23861 13.62547 24.18093 -0.003886 0.013357 0.001004
C 5.64195 13.89834 24.51783 0.006683 0.018865 -0.0008
C 3.46155 10.193 23.34213 0.023626 0.018272 -0.001165
C 7.3657 12.7566 25.50408 0.004684 -0.019594 -0.002604
C 5.89516 12.77254 23.66418 0.041805 0.010409 9.7e-05
C 2.26707 13.82623 27.6339 0.003023 0.001298 -0.002426
C 1.45238 12.75663 27.77429 0.004996 -0.006557 0.0007
C 5.89516 9.9442 23.6644 0.038365 -0.008869 -2e-05
C 3.17624 13.89822 28.76211 -0.009282 -0.003383 0.000397
C 0.7759 12.14216 26.62203 -0.000453 0.001611 -0.002782
C 4.81872 10.63534 23.08742 -0.029536 0.048542 -0.000297
C 6.98507 12.04711 24.28424 0.017133 0.01397 0.001146
C 6.28143 14.48526 26.95232 0.007662 0.002516 -0.003161
C 4.82927 14.69445 27.16301 -0.006897 -0.001981 0.000792
C 2.17741 13.61751 25.14646 0.001548 0.015919 -0.002884
C 3.23866 9.09137 24.18086 -0.000769 -0.021939 0.001701
C 2.53687 14.48522 26.32697 -0.009856 0.005922 0.000655
C 4.35216 14.31407 24.76966 0.009953 0.016107 -0.001342
C 3.98905 14.69436 26.11637 0.008112 -0.005637 0.000224
C 4.35217 8.40269 24.76945 0.000616 -0.013832 -0.002369
C 6.18959 11.35823 29.77548 0.001986 -3.7e-05 -0.001015
C 1.39551 12.51681 25.30344 -0.017008 -0.009767 0.00281
C 2.23183 1.45934 25.14655 0.006293 -0.0084 -0.003914
C 3.01378 2.55997 25.30356 0.012739 0.000784 0.003624
C 7.87109 2.55303 29.93945 0.005242 -0.004425 0.000156
C 2.77432 3.71854 24.49685 0.009925 0.002267 -0.005943
C 0.40983 2.99539 30.19899 0.017525 -0.003809 -0.000544
C 3.63334 2.93458 26.62211 0.001316 -0.000654 -0.004352
C 2.57619 4.40723 28.99423 -0.001103 -0.000933 -0.000964
C 2.14216 1.25056 27.63388 -0.002613 -0.003656 -0.005184
C 7.64815 1.45137 29.09858 0.010278 -0.001509 -0.000261
C 1.233 1.17847 28.76201 0.007598 0.003299 0.001666
C 7.87106 4.88384 29.93949 0.004719 0.004127 0.000217
C 2.95687 2.32009 27.77429 -0.005862 0.005964 0.002812
C 1.48626 2.30432 29.61605 0.006802 0.006479 -0.001024
C 6.67651 1.25049 25.64527 0.011124 -0.014601 -0.000977
C 5.86194 2.32013 25.504 -0.004147 0.020037 0.000574
C 1.48623 5.13257 29.61605 0.006552 -0.004903 -0.00093
C 7.58572 1.17854 24.51774 -0.013831 -0.015077 0.001142
C 5.18548 2.93457 26.65627 -0.001197 -0.004909 0.000994
C 0.4098 4.4415 30.19901 0.018207 0.005026 -0.00053
C 2.57623 3.02965 28.9943 -0.000488 0.001101 -0.001617
C 1.87234 0.59159 26.32688 0.009894 -0.006421 0.002916
C 0.42018 0.38246 26.11617 -0.00791 0.004929 0.001312
C 6.58691 1.45927 28.13277 0.004883 -0.004298 0.001126
C 7.64813 5.98554 29.09869 0.008947 0.002337 -0.000929
C 6.94625 0.59149 26.95219 -0.008677 -0.004988 0.0007
C 8.76165 0.76268 28.50981 -0.000564 0.002912 -0.001189
C 8.39843 0.38235 27.1628 0.007076 0.003671 -0.000351
C 8.76163 6.6742 28.50993 -0.000928 -0.003009 -0.000703
C 1.78069 3.7186 23.50349 0.018252 0.003562 0.001151
C 5.80507 2.55995 27.97499 -0.007062 0.005614 -0.001999
C 2.1774 9.09912 25.14655 -0.006293 -0.0084 -0.003914
C 1.39545 10.19976 25.30356 -0.012739 0.000784 0.003624
C 5.3566 10.19281 29.93945 -0.005242 -0.004425 0.000156
C 1.63491 11.35832 24.49685 -0.009925 0.002267 -0.005943
C 3.9994 10.63518 30.19899 -0.017525 -0.003809 -0.000544
C 0.77589 10.57437 26.62211 -0.001316 -0.000654 -0.004352
C 1.83304 12.04702 28.99423 0.001103 -0.000933 -0.000964
C 2.26707 8.89034 27.63388 0.002613 -0.003656 -0.005184
C 5.57954 9.09115 29.09858 -0.010278 -0.001509 -0.000261
C 3.17623 8.81826 28.76201 -0.007598 0.003299 0.001666
C 5.35663 12.52363 29.93949 -0.004719 0.004127 0.000217
C 1.45236 9.95988 27.77429 0.005862 0.005964 0.002812
C 2.92297 9.94411 29.61605 -0.006802 0.006479 -0.001024
C 6.55118 8.89028 25.64527 -0.011124 -0.014601 -0.000977
C 7.36575 9.95992 25.504 0.004147 0.020037 0.000574
C 2.923 12.77236 29.61605 -0.006552 -0.004903 -0.00093
C 5.64197 8.81833 24.51774 0.013831 -0.015077 0.001142
C 8.04221 10.57436 26.65627 0.001197 -0.004909 0.000994
C 3.99943 12.08129 30.19901 -0.018207 0.005026 -0.00053
C 1.833 10.66944 28.9943 0.000488 0.001101 -0.001617
C 2.53689 8.23138 26.32688 -0.009894 -0.006421 0.002916
C 3.98906 8.02224 26.11617 0.00791 0.004929 0.001312
C 6.64078 9.09905 28.13277 -0.004883 -0.004298 0.001126
C 5.57956 13.62533 29.09869 -0.008947 0.002337 -0.000929
C 6.28144 8.23128 26.95219 0.008677 -0.004988 0.0007
C 4.46604 8.40247 28.50981 0.000564 0.002912 -0.001189
C 4.82926 8.02214 27.1628 -0.007076 0.003671 -0.000351
C 4.46606 14.31399 28.50993 0.000928 -0.003009 -0.000703
C 2.62854 11.35839 23.50349 -0.018252 0.003562 0.001151
C 7.42262 10.19974 27.97499 0.007062 0.005614 -0.001999
C 6.58689 5.9777 28.13282 0.00504 0.003135 0.002535
C 5.8051 4.87696 27.975 -0.008388 -0.00557 -0.003218
C 0.94772 4.88403 23.34212 -0.009521 -0.007356 -0.001127
C 6.04453 3.71846 28.7812 0.003431 -4.4e-05 0.00377
C 8.409 4.4417 23.08727 0.02201 -0.056082 -0.000289
C 5.1855 4.50232 26.65621 -0.001663 0.0042 0.003731
C 6.24259 3.02974 24.28424 -0.023124 -0.017598 0.000113
C 6.67662 6.1864 25.6453 0.010155 0.015658 0.003358
C 1.17062 5.98568 24.18093 0.003886 0.013357 0.001004
C 7.58574 6.25855 24.51783 -0.006683 0.018865 -0.0008
C 0.94769 2.55321 23.34213 -0.023626 0.018272 -0.001165
C 5.86199 5.11681 25.50408 -0.004684 -0.019594 -0.002604
C 7.33253 5.13276 23.66418 -0.041805 0.010409 9.7e-05
C 2.14216 6.18645 27.6339 -0.003023 0.001298 -0.002426
C 2.95685 5.11685 27.77429 -0.004996 -0.006557 0.0007
C 7.33253 2.30441 23.6644 -0.038365 -0.008869 -2e-05
C 1.23299 6.25844 28.76211 0.009282 -0.003383 0.000397
C 3.63333 4.50237 26.62203 0.000453 0.001611 -0.002782
C 8.40897 2.99555 23.08742 0.029536 0.048542 -0.000297
C 6.24263 4.40733 24.28424 -0.017133 0.01397 0.001146
C 6.94626 6.84548 26.95232 -0.007662 0.002516 -0.003161
C 8.39842 7.05466 27.16301 0.006897 -0.001981 0.000792
C 2.23182 5.97772 25.14646 -0.001548 0.015919 -0.002884
C 1.17057 1.45158 24.18086 0.000769 -0.021939 0.001701
C 1.87236 6.84544 26.32697 0.009856 0.005922 0.000655
C 0.05707 6.67429 24.76966 -0.009953 0.016107 -0.001342
C 0.42018 7.05457 26.11637 -0.008112 -0.005637 0.000224
C 0.05706 0.76291 24.76945 -0.000616 -0.013832 -0.002369
C 7.0381 3.71844 29.77548 -0.001986 -3.7e-05 -0.001015
C 3.01372 4.87702 25.30344 0.017008 -0.009767 0.00281
168
energy=-1515.04356149 config_type=nep2xyz pbc="T T T" virial="-38.32936999776094 -0.0342285087152696 0.018207548247803115 -0.0342285087152696 -43.59610306482177 0.004331125795666793 0.018207548247803115 0.004331125795666793 -4.916879022206971" 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 19.97104 0.001213 0.003229 -0.005176
C 1.47141 0.89094 19.98269 -0.006413 0.012369 0.002427
C 2.93782 0.89094 19.98759 -0.003638 0.000239 0.00564
C 3.67602 2.16424 19.98773 0.002103 0.004785 0.005748
C 0.73321 4.71084 19.96704 0.007602 -0.007542 -0.007503
C 1.47141 3.43754 19.97017 -0.005051 0.003334 -0.006188
C 2.93782 3.43754 19.98236 -0.01288 0.002714 0.001458
C 3.67602 4.71084 19.98653 0.005097 -0.004681 0.004501
C 0.73321 7.25743 19.98619 0.002793 -0.003631 0.00427
C 1.47141 5.98413 19.97943 0.002864 -0.011906 -2.7e-05
C 2.93782 5.98413 19.98585 -0.009312 0.002176 0.00426
C 3.67602 7.25743 19.98688 -0.004966 -0.00319 0.004771
C 0.73321 9.80403 19.98858 -0.000595 0.009759 0.006243
C 1.47141 8.53073 19.98804 0.001451 -0.002461 0.006009
C 2.93782 8.53073 19.98302 0.011613 0.016617 0.002078
C 3.67602 9.80403 19.97135 -0.001414 -0.007946 -0.005855
C 0.73321 12.35062 19.98783 -0.002349 -0.004307 0.005197
C 1.47141 11.07732 19.98417 0.011186 -0.002208 0.002444
C 2.93782 11.07732 19.97233 0.00254 0.005172 -0.005851
C 3.67602 12.35062 19.96793 -0.004637 -0.0042 -0.007709
C 0.73321 14.89722 19.98732 0.002486 0.00306 0.005554
C 1.47141 13.62392 19.98725 0.00806 -0.002278 0.005184
C 2.93782 13.62392 19.98095 0.005527 -0.010142 0.000373
C 3.67602 14.89722 19.9863 -0.004637 -0.006048 0.004059
C 5.14244 2.16424 19.98809 -0.003014 0.006835 0.005483
C 5.88064 0.89094 19.9872 0.00901 0.000348 0.004549
C 7.34705 0.89094 19.98218 0.00824 0.018287 0.001345
C 8.08525 2.16424 19.97091 -0.009513 -0.004033 -0.005435
C 5.14244 4.71084 19.98689 -0.00852 -0.00052 0.004449
C 5.88064 3.43754 19.9832 0.020282 -0.002539 0.001448
C 7.34705 3.43754 19.96987 -0.006053 0.000256 -0.006103
C 8.08525 4.71084 19.96673 -0.015585 0.006514 -0.007464
C 5.14244 7.25743 19.98651 0.002988 0.002397 0.004084
C 5.88064 5.98413 19.98572 0.015531 -0.000829 0.003749
C 7.34705 5.98413 19.97874 0.004084 -0.012705 -0.000553
C 8.08525 7.25743 19.98586 -0.009803 -0.007187 0.003535
C 5.14244 9.80403 19.96793 0.013787 -0.004804 -0.007485
C 5.88064 8.53073 19.98101 -0.009546 0.020323 1.1e-05
C 7.34705 8.53073 19.98686 -0.003394 -0.002691 0.003812
C 8.08525 9.80403 19.98757 -0.000192 0.001353 0.004477
C 5.14244 12.35062 19.9636 0.011621 0.014838 -0.009494
C 5.88064 11.07732 19.9646 0.013402 -0.00908 -0.008891
C 7.34705 11.07732 19.98056 -0.026288 0.000901 -0.000851
C 8.08525 12.35062 19.98629 0.002312 -4.6e-05 0.003216
C 5.14244 14.89722 19.98524 0.003837 -0.010485 0.002893
C 5.88064 13.62392 19.97649 -0.004346 -0.015759 -0.002295
C 7.34705 13.62392 19.9846 -0.010325 0.00881 0.002359
C 8.08525 14.89722 19.98656 -0.010257 -0.007104 0.004384
C 6.86127 13.61749 28.13283 -0.004809 0.003128 0.002483
C 7.64305 12.51675 27.97499 0.008057 -0.005552 -0.002777
C 3.68197 12.52382 23.34253 0.010711 -0.008632 -0.000575
C 7.40362 11.35825 28.78119 -0.00328 -0.000334 0.003411
C 5.03916 12.08148 23.08791 -0.026292 -0.053058 -0.000233
C 8.26265 12.14211 26.65623 0.001388 0.004288 0.003583
C 7.20556 10.66953 24.28433 0.025235 -0.012274 0.000388
C 6.77154 13.82619 25.64528 -0.011532 0.018023 0.004464
C 3.45908 13.62547 24.18113 -0.003088 0.015903 -0.00048
C 5.86241 13.89834 24.51789 0.006423 0.02185 -0.001542
C 3.68201 10.193 23.3422 0.020694 0.019041 -0.000597
C 7.58616 12.7566 25.50409 0.005797 -0.021923 -0.002851
C 6.11562 12.77254 23.66419 0.043397 0.012019 0.000364
C 2.48753 13.82623 27.63397 0.002623 0.001606 -0.001657
C 1.67284 12.75663 27.77438 0.004736 -0.006162 0.000445
C 6.11562 9.9442 23.66424 0.043214 -0.014897 0.000294
C 3.39671 13.89822 28.76219 -0.009309 -0.003438 0.000342
C 0.99636 12.14216 26.62212 -0.000979 0.001728 -0.001802
C 5.03918 10.63534 23.0878 -0.032333 0.050408 -0.000283
C 7.20553 12.04711 24.2844 0.020863 0.008264 0.001241
C 6.50189 14.48526 26.95235 0.007723 0.002246 -0.003703
C 5.04973 14.69445 27.16305 -0.006539 -0.001981 0.001683
C 2.39787 13.61751 25.14663 -0.003071 0.013803 -0.000772
C 3.45912 9.09137 24.18094 0.000499 -0.024317 -0.000122
C 2.75733 14.48522 26.32708 -0.009587 0.005909 -0.00051
C 4.57262 14.31407 24.7697 0.010343 0.018385 9.3e-05
C 4.20951 14.69436 26.11643 0.00816 -0.005632 -0.000827
C 4.57263 8.40269 24.76938 -0.000365 -0.016818 -0.000839
C 6.41005 11.35823 29.77546 0.001764 -0.000165 -0.000797
C 1.61597 12.51681 25.30365 -0.014351 -0.004836 0.000639
C 2.45229 1.45934 25.14648 0.00366 -0.01133 -0.005417
C 3.23424 2.55997 25.30339 0.014121 0.004752 0.005168
C 8.09155 2.55303 29.93945 0.005195 -0.00433 8.4e-05
C 2.99478 3.71854 24.49671 0.009729 0.002383 -0.008301
C 0.63029 2.99539 30.19896 0.017722 -0.004003 -0.000697
C 3.8538 2.93458 26.62203 0.000693 -0.000418 -0.004895
C 2.79666 4.40723 28.99415 -0.001082 -0.00081 -0.001177
C 2.36262 1.25056 27.63384 -0.00288 -0.00313 -0.005331
C 7.86861 1.45137 29.09858 0.010417 -0.001627 -0.00027
C 1.45346 1.17847 28.76197 0.007599 0.003386 0.00146
C 8.09153 4.88384 29.93946 0.004749 0.004351 9.9e-05
C 3.17734 2.32009 27.77422 -0.006167 0.006199 0.002733
C 1.70672 2.30432 29.61602 0.007442 0.006936 -0.001034
C 6.89697 1.25049 25.64535 0.009062 -0.012271 -0.002385
C 6.08241 2.32013 25.50401 -0.003218 0.017672 0.001271
C 1.70669 5.13257 29.61599 0.006492 -0.005238 -0.000954
C 7.80618 1.17854 24.51776 -0.013294 -0.015069 0.00187
C 5.40595 2.93457 26.65626 -0.001546 -0.004949 0.000451
C 0.63026 4.4415 30.19896 0.018661 0.005665 -0.000695
C 2.79669 3.02965 28.99425 -0.000489 0.001034 -0.001715
C 2.09281 0.59159 26.32684 0.010314 -0.006555 0.003744
C 0.64064 0.38246 26.11617 -0.00729 0.004469 0.001417
C 6.80738 1.45927 28.13279 0.004731 -0.004371 0.000753
C 7.86859 5.98554 29.09865 0.009258 0.002414 -0.001038
C 7.16671 0.59149 26.9522 -0.00854 -0.005121 0.001638
C 0.16365 0.76268 28.50983 -0.000581 0.002594 -0.001073
C 8.61889 0.38235 27.16281 0.006968 0.004037 -0.000757
C 0.16363 6.6742 28.50987 -0.001006 -0.003014 -0.000617
C 2.00116 3.7186 23.50297 0.020062 0.002898 0.001935
C 6.02553 2.55995 27.97499 -0.00714 0.005493 -0.001737
C 2.39786 9.09912 25.14657 -0.00897 -0.006531 -0.001581
C 1.61591 10.19976 25.30371 -0.011262 -0.002616 0.001297
C 5.57706 10.19281 29.93942 -0.005335 -0.004594 0.000145
C 1.85537 11.35832 24.497 -0.01344 0.001832 -0.002477
C 4.21986 10.63518 30.19901 -0.017225 -0.003375 -0.000455
C 0.99635 10.57437 26.62217 -0.001879 -0.001135 -0.003125
C 2.0535 12.04702 28.99429 0.001156 -0.001083 -0.000801
C 2.48754 8.89034 27.63389 0.002522 -0.003817 -0.00375
C 5.8 9.09115 29.09854 -0.010168 -0.001349 -0.000274
C 3.39669 8.81826 28.76203 -0.007828 0.00309 0.00117
C 5.57709 12.52363 29.9395 -0.004706 0.003921 0.000286
C 1.67282 9.95988 27.77434 0.005417 0.00566 0.002157
C 3.14344 9.94411 29.61606 -0.006046 0.005863 -0.000943
C 6.77164 8.89028 25.64515 -0.013167 -0.017268 0.001084
C 7.58621 9.95992 25.50396 0.00518 0.022693 -0.000408
C 3.14346 12.77236 29.61611 -0.006547 -0.004486 -0.000794
C 5.86244 8.81833 24.51769 0.013486 -0.015512 -0.000252
C 8.26267 10.57436 26.65625 0.000829 -0.005096 0.001302
C 4.2199 12.08129 30.19905 -0.017708 0.0042 -0.0004
C 2.05346 10.66944 28.99433 0.000534 0.001172 -0.001432
C 2.75735 8.23138 26.32691 -0.009283 -0.006038 0.001088
C 4.20952 8.02224 26.11613 0.008893 0.005639 0.001026
C 6.86124 9.09905 28.13273 -0.004888 -0.004233 0.001284
C 5.80003 13.62533 29.0987 -0.008715 0.002226 -0.000694
C 6.5019 8.23128 26.95215 0.00857 -0.004559 -0.000582
C 4.6865 8.40247 28.50976 0.000527 0.003566 -0.000648
C 5.04972 8.02214 27.16278 -0.007217 0.00321 -0.000582
C 4.68653 14.31399 28.50996 0.000931 -0.003189 -0.000698
C 2.849 11.35839 23.50407 -0.011755 0.003938 -0.000233
C 7.64309 10.19974 27.97496 0.006882 0.005745 -0.001781
C 6.80735 5.9777 28.13278 0.005157 0.003304 0.001871
C 6.02557 4.87696 27.97497 -0.008471 -0.005618 -0.00296
C 1.16818 4.88403 23.34176 -0.008777 -0.007624 -0.001618
C 6.26499 3.71846 28.78119 0.003276 0.000248 0.003361
C 8.62946 4.4417 23.08674 0.018009 -0.058025 -0.000385
C 5.40596 4.50232 26.65617 -0.00183 0.004345 0.003201
C 6.46305 3.02974 24.28414 -0.022427 -0.02043 -9.9e-05
C 6.89708 6.1864 25.6453 0.008845 0.013242 0.001467
C 1.39108 5.98568 24.18074 0.004629 0.011591 0.002115
C 7.8062 6.25855 24.51772 -0.006903 0.01594 -1.5e-05
C 1.16815 2.55321 23.34209 -0.025524 0.01802 -0.001565
C 6.08245 5.11681 25.50402 -0.003643 -0.017487 -0.001981
C 7.553 5.13276 23.6641 -0.039735 0.010299 -0.000166
C 2.36263 6.18645 27.63381 -0.003432 0.000924 -0.003057
C 3.17731 5.11685 27.7742 -0.005245 -0.006885 0.000796
C 7.55299 2.30441 23.66447 -0.033328 -0.004439 -0.000211
C 1.45345 6.25844 28.76204 0.009253 -0.003299 0.000141
C 3.8538 4.50237 26.62193 -6.5e-05 0.001659 -0.003491
C 8.62944 2.99555 23.08715 0.026209 0.046573 -0.00033
C 6.46309 4.40733 24.28407 -0.015348 0.017516 0.000855
C 7.16672 6.84548 26.95226 -0.007443 0.002778 -0.001708
C 8.61888 7.05466 27.16295 0.007106 -0.002122 -8e-06
C 2.45228 5.97772 25.14629 -0.005511 0.018362 -0.004606
C 1.39103 1.45158 24.18079 0.002263 -0.019386 0.002801
C 2.09282 6.84544 26.32685 0.010012 0.005484 0.001568
C 0.27753 6.67429 24.76958 -0.009305 0.014985 -0.002117
C 0.64064 7.05457 26.11629 -0.008107 -0.005855 0.000201
C 0.27752 0.76291 24.76947 -0.002226 -0.012331 -0.003056
C 7.25856 3.71844 29.77548 -0.002025 0.000107 -0.001023
C 3.23418 4.87702 25.30323 0.019166 -0.014378 0.004364
168
energy=-1515.04474245 config_type=nep2xyz pbc="T T T" virial="-38.289338621474776 -0.06664887753526083 0.0268697998391367 -0.06664887753526083 -43.59547231834667 0.010260142661579584 0.0268697998391367 0.010260142661579584 -4.942487329095913" 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 19.97077 0.001069 0.007858 -0.004403
C 1.47141 0.89094 19.98255 -0.005211 0.009765 0.002344
C 2.93782 0.89094 19.98737 -0.002843 0.002637 0.005135
C 3.67602 2.16424 19.98714 0.002271 0.000903 0.004938
C 0.73321 4.71084 19.96655 0.007423 -0.006543 -0.006557
C 1.47141 3.43754 19.96845 -0.002069 0.000821 -0.005843
C 2.93782 3.43754 19.98096 -0.015165 0.004821 0.0007
C 3.67602 4.71084 19.98558 0.006273 -0.003437 0.003687
C 0.73321 7.25743 19.98628 0.00373 -0.003833 0.004133
C 1.47141 5.98413 19.97857 0.004675 -0.010852 -0.000232
C 2.93782 5.98413 19.98499 -0.00827 0.003955 0.003392
C 3.67602 7.25743 19.98681 -0.007275 -0.006194 0.004175
C 0.73321 9.80403 19.98883 -0.000458 0.010458 0.005692
C 1.47141 8.53073 19.98831 -0.000841 -0.003202 0.005683
C 2.93782 8.53073 19.98334 0.014447 0.0179 0.001949
C 3.67602 9.80403 19.97168 -0.00162 -0.011846 -0.005344
C 0.73321 12.35062 19.9882 -0.001084 -0.00236 0.00501
C 1.47141 11.07732 19.98474 0.012179 -0.004131 0.002546
C 2.93782 11.07732 19.97312 -0.001689 0.004704 -0.005043
C 3.67602 12.35062 19.9686 -0.002227 -0.002572 -0.007028
C 0.73321 14.89722 19.98767 0.002581 0.005868 0.005515
C 1.47141 13.62392 19.98786 0.005644 -0.004487 0.005189
C 2.93782 13.62392 19.98173 0.009738 -0.007768 0.000752
C 3.67602 14.89722 19.98656 -0.006511 -0.007759 0.003863
C 5.14244 2.16424 19.98842 -0.004134 0.010217 0.005759
C 5.88064 0.89094 19.98766 0.009357 0.000241 0.004836
C 7.34705 0.89094 19.98306 0.008824 0.017761 0.002125
C 8.08525 2.16424 19.9725 -0.006234 -0.005483 -0.00381
C 5.14244 4.71084 19.98723 -0.010723 -0.001386 0.004645
C 5.88064 3.43754 19.98453 0.013365 -0.004247 0.002456
C 7.34705 3.43754 19.9728 0.0001 0.004389 -0.004132
C 8.08525 4.71084 19.96856 -0.015109 0.002871 -0.005642
C 5.14244 7.25743 19.98676 0.001341 0.005925 0.003887
C 5.88064 5.98413 19.98655 0.015688 -0.004219 0.004171
C 7.34705 5.98413 19.98029 0.004845 -0.011346 0.000669
C 8.08525 7.25743 19.98645 -0.013061 -0.004561 0.003833
C 5.14244 9.80403 19.96688 0.013439 -0.006085 -0.007226
C 5.88064 8.53073 19.98079 -0.01045 0.020115 -0.000141
C 7.34705 8.53073 19.98688 0.000453 -0.0043 0.003399
C 8.08525 9.80403 19.98718 -0.002309 0.001037 0.003572
C 5.14244 12.35062 19.96256 0.007975 0.01817 -0.009139
C 5.88064 11.07732 19.9626 0.013621 -0.012254 -0.008954
C 7.34705 11.07732 19.97901 -0.02259 0.00221 -0.001673
C 8.08525 12.35062 19.98583 -0.001345 -0.002233 0.002431
C 5.14244 14.89722 19.98528 0.002913 -0.010776 0.002848
C 5.88064 13.62392 19.97587 -0.004812 -0.016614 -0.002471
C 7.34705 13.62392 19.98419 -0.00689 0.013537 0.001903
C 8.08525 14.89722 19.98679 -0.013914 -0.011596 0.004416
C 7.08173 13.61749 28.13288 -0.00362 0.003672 -0.001097
C 7.86351 12.51675 27.97491 0.00631 -0.00572 0.001936
C 3.90243 12.52382 23.34291 0.013223 -0.0119 -0.000564
C 7.62408 11.35825 28.78122 -0.001288 -0.000544 -0.001194
C 5.25962 12.08148 23.08857 -0.030031 -0.050745 -0.000248
C 8.48312 12.14211 26.65628 0.00106 0.004768 -0.001655
C 7.42603 10.66953 24.28438 0.027984 -0.005804 9.5e-05
C 6.992 13.82619 25.64536 -0.013302 0.017748 -0.00309
C 3.67954 13.62547 24.18125 -0.003386 0.019956 0.000148
C 6.08288 13.89834 24.51788 0.006944 0.025844 0.001678
C 3.90247 10.193 23.34227 0.018054 0.020993 -0.000672
C 7.80662 12.7566 25.504 0.007852 -0.023365 0.002595
C 6.33608 12.77254 23.66417 0.043544 0.013936 1.2e-05
C 2.70799 13.82623 27.634 0.002616 0.001617 -0.000581
C 1.8933 12.75663 27.77443 0.004509 -0.005819 -0.000746
C 6.33609 9.9442 23.66403 0.046641 -0.020638 -8.1e-05
C 3.61717 13.89822 28.76223 -0.009692 -0.003423 -0.000356
C 1.21682 12.14216 26.62214 -0.001318 0.001909 -0.000137
C 5.25964 10.63534 23.08818 -0.033597 0.053184 -0.000268
C 7.42599 12.04711 24.28453 0.025268 0.001715 -0.000244
C 6.72235 14.48526 26.95226 0.007236 0.002411 0.003318
C 5.27019 14.69445 27.1631 -0.007411 -0.001721 -0.002035
C 2.61833 13.61751 25.14676 -0.006758 0.012589 -0.000904
C 3.67958 9.09137 24.18095 0.000588 -0.027304 -0.00022
C 2.9778 14.48522 26.32712 -0.009337 0.005675 0.000107
C 4.79308 14.31407 24.76973 0.011234 0.019815 -0.001064
C 4.42998 14.69436 26.11643 0.009228 -0.005393 0.001604
C 4.79309 8.40269 24.7693 -0.000212 -0.019941 0.000457
C 6.63051 11.35823 29.77541 0.000604 -0.000212 0.000783
C 1.83643 12.51681 25.30378 -0.012549 -0.000749 -0.000554
C 2.67275 1.45934 25.14628 0.004168 -0.015306 0.002027
C 3.4547 2.55997 25.30336 0.011692 0.009209 -0.004326
C 8.31201 2.55303 29.93944 0.005421 -0.004456 -0.000103
C 3.21524 3.71854 24.49641 0.017819 0.00204 0.003072
C 0.85075 2.99539 30.19891 0.017841 -0.003945 -0.000717
C 4.07426 2.93458 26.62183 -5.9e-05 -0.000824 0.001966
C 3.01712 4.40723 28.99405 -0.001305 -0.000694 -0.000851
C 2.58308 1.25056 27.63367 -0.003338 -0.000302 0.002369
C 8.08907 1.45137 29.09857 0.010981 -0.001856 -0.000195
C 1.67392 1.17847 28.76196 0.008192 0.002594 -0.002017
C 8.31199 4.88384 29.93942 0.004912 0.004945 -0.000364
C 3.3978 2.32009 27.77422 -0.004899 0.005928 -0.003597
C 1.92718 2.30432 29.61594 0.007894 0.007387 -0.000624
C 7.11743 1.25049 25.64529 0.006518 -0.012179 0.003372
C 6.30287 2.32013 25.50404 -0.001656 0.016553 -0.001393
C 1.92715 5.13257 29.61589 0.00648 -0.005487 -0.000885
C 8.02664 1.17854 24.51778 -0.011461 -0.014087 -0.001777
C 5.62641 2.93457 26.65623 -0.001876 -0.005064 0.000306
C 0.85072 4.4415 30.19889 0.0189 0.005948 -0.00086
C 3.01716 3.02965 28.99415 -0.001191 0.001345 -0.000207
C 2.31327 0.59159 26.32687 0.010258 -0.006445 -0.002618
C 0.8611 0.38246 26.11625 -0.004789 0.005122 -0.007899
C 7.02784 1.45927 28.13279 0.004365 -0.00422 0.000337
C 8.08905 5.98554 29.09857 0.010131 0.002066 0.000116
C 7.38717 0.59149 26.95226 -0.008771 -0.004744 -0.003503
C 0.38411 0.76268 28.50981 -0.000576 0.002463 -0.001712
C 0.02089 0.38235 27.1627 0.004162 0.004968 0.007241
C 0.38409 6.6742 28.5098 -0.001137 -0.002742 -0.001806
C 2.22162 3.7186 23.50268 0.013606 0.002012 -0.002462
C 6.24599 2.55995 27.97494 -0.00711 0.00564 0.000498
C 2.61833 9.09912 25.14655 -0.010339 -0.006204 -0.000568
C 1.83637 10.19976 25.30379 -0.01027 -0.004467 -0.001115
C 5.79752 10.19281 29.93937 -0.005613 -0.004938 1.2e-05
C 2.07583 11.35832 24.49711 -0.018379 0.001047 -0.000511
C 4.44032 10.63518 30.19901 -0.017046 -0.003016 -0.000476
C 1.21681 10.57437 26.62213 -0.002006 -0.001953 0.000949
C 2.27396 12.04702 28.9943 0.001229 -0.001244 -0.000504
C 2.708 8.89034 27.63382 0.002701 -0.003023 0.000182
C 6.02047 9.09115 29.09849 -0.010475 -0.001172 0.000205
C 3.61716 8.81826 28.76204 -0.00833 0.0025 -0.000904
C 5.79755 12.52363 29.93949 -0.004769 0.004084 2e-05
C 1.89328 9.95988 27.77439 0.004312 0.005078 -0.002007
C 3.3639 9.94411 29.61603 -0.005305 0.005582 -0.000427
C 6.99211 8.89028 25.64505 -0.015187 -0.018429 -0.000967
C 7.80667 9.95992 25.50386 0.006375 0.024642 0.00123
C 3.36392 12.77236 29.61612 -0.006496 -0.004272 -0.000412
C 6.0829 8.81833 24.51757 0.012605 -0.017421 0.000634
C 8.48313 10.57436 26.65623 0.000419 -0.005456 -0.000654
C 4.44036 12.08129 30.19907 -0.017279 0.003368 -0.00038
C 2.27392 10.66944 28.9943 0.001078 0.001642 -0.000193
C 2.97781 8.23138 26.32688 -0.008911 -0.005632 -0.000227
C 4.42998 8.02224 26.11612 0.008552 0.00684 -0.003978
C 7.0817 9.09905 28.1327 -0.004398 -0.00442 -0.000484
C 6.02049 13.62533 29.09868 -0.008949 0.001764 0.000631
C 6.72236 8.23128 26.95207 0.008308 -0.004159 0.000395
C 4.90696 8.40247 28.50969 0.000856 0.003863 -0.001144
C 5.27018 8.02214 27.16269 -0.006077 0.003161 0.003638
C 4.90699 14.31399 28.50995 0.001053 -0.003547 0.000236
C 3.06946 11.35839 23.50449 -0.004026 0.003873 -0.000586
C 7.86355 10.19974 27.97488 0.005876 0.005971 0.001393
C 7.02781 5.9777 28.13276 0.004569 0.003719 -0.00076
C 6.24603 4.87696 27.97487 -0.007567 -0.006084 0.001175
C 1.38865 4.88403 23.3414 -0.007907 -0.007514 -0.000504
C 6.48546 3.71846 28.78123 0.001315 0.000675 -0.001199
C 0.03146 4.4417 23.08639 0.015223 -0.057572 -0.000431
C 5.62642 4.50232 26.65618 -0.00165 0.004896 -0.001369
C 6.68351 3.02974 24.28406 -0.023396 -0.019918 0.000459
C 7.11754 6.1864 25.64526 0.007492 0.011477 0.000333
C 1.61154 5.98568 24.18062 0.002964 0.008777 -0.002307
C 8.02666 6.25855 24.51761 -0.007173 0.012526 -0.000754
C 1.38861 2.55321 23.34202 -0.025598 0.016185 -0.000305
C 6.30291 5.11681 25.50394 -0.003057 -0.016152 0.000595
C 7.77346 5.13276 23.66398 -0.037895 0.012051 -8.9e-05
C 2.58309 6.18645 27.63365 -0.003812 -0.000594 0.000266
C 3.39777 5.11685 27.77412 -0.004887 -0.007105 -0.001932
C 7.77345 2.30441 23.66446 -0.029166 -0.002391 9.2e-05
C 1.67391 6.25844 28.76195 0.0095 -0.003057 -0.001196
C 4.07426 4.50237 26.62176 -0.000502 0.001988 0.000523
C 0.03144 2.99555 23.08702 0.022871 0.043344 -0.000275
C 6.68355 4.40733 24.28395 -0.015283 0.017649 -0.000317
C 7.38718 6.84548 26.95218 -0.007437 0.003069 -0.000935
C 0.02088 7.05466 27.16281 0.005768 -0.002803 0.004264
C 2.67274 5.97772 25.14601 -0.005621 0.020955 0.001112
C 1.61149 1.45158 24.1808 0.001398 -0.014697 -0.002447
C 2.31328 6.84544 26.32677 0.009706 0.004902 -0.001776
C 0.498 6.67429 24.76941 -0.007225 0.016549 0.00124
C 0.8611 7.05457 26.11624 -0.006946 -0.006564 -0.005279
C 0.49798 0.76291 24.76938 -0.002713 -0.014785 0.002775
C 7.47903 3.71844 29.77543 -0.000954 0.000343 0.000463
C 3.45464 4.87702 25.30316 0.017794 -0.018436 -0.003843
168
energy=-1515.04607232 config_type=nep2xyz pbc="T T T" virial="-38.2544373165194 -0.09448582196954643 0.027794894669279122 -0.09448582196954643 -43.56372474576679 0.008746351121346531 0.027794894669279122 0.008746351121346531 -4.979322923241584" 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 19.97053 0.000981 0.01013 -0.004349
C 1.47141 0.89094 19.98228 -0.004807 0.008017 0.002202
C 2.93782 0.89094 19.9869 -0.001411 0.00577 0.004728
C 3.67602 2.16424 19.98616 0.001638 -0.003136 0.004424
C 0.73321 4.71084 19.96624 0.005868 -0.00271 -0.006543
C 1.47141 3.43754 19.96659 0.00348 -0.002593 -0.006486
C 2.93782 3.43754 19.97911 -0.017879 0.006095 -0.000396
C 3.67602 4.71084 19.98425 0.007159 -0.001813 0.00289
C 0.73321 7.25743 19.98619 0.004751 -0.00499 0.004119
C 1.47141 5.98413 19.97763 0.00424 -0.009363 -0.000674
C 2.93782 5.98413 19.98391 -0.006568 0.005341 0.002534
C 3.67602 7.25743 19.98665 -0.008907 -0.009084 0.004007
C 0.73321 9.80403 19.98865 -0.001494 0.010098 0.005695
C 1.47141 8.53073 19.98833 -0.002723 -0.00349 0.005635
C 2.93782 8.53073 19.98372 0.016148 0.018801 0.002027
C 3.67602 9.80403 19.97255 -0.001457 -0.01403 -0.00509
C 0.73321 12.35062 19.98813 -0.00093 0.000426 0.004922
C 1.47141 11.07732 19.98506 0.01468 -0.005243 0.002893
C 2.93782 11.07732 19.97427 -0.006753 0.003927 -0.004527
C 3.67602 12.35062 19.96991 0.000498 -0.002131 -0.006457
C 0.73321 14.89722 19.98777 0.002411 0.008103 0.005718
C 1.47141 13.62392 19.98818 0.00305 -0.006815 0.005431
C 2.93782 13.62392 19.98256 0.012145 -0.005095 0.001196
C 3.67602 14.89722 19.98676 -0.007435 -0.008753 0.004019
C 5.14244 2.16424 19.98854 -0.005268 0.012436 0.006238
C 5.88064 0.89094 19.98803 0.008325 -0.000689 0.005632
C 7.34705 0.89094 19.98395 0.010025 0.01834 0.002985
C 8.08525 2.16424 19.9742 -0.002986 -0.008273 -0.002807
C 5.14244 4.71084 19.98737 -0.012325 -0.001194 0.005179
C 5.88064 3.43754 19.98573 0.007698 -0.005481 0.003647
C 7.34705 3.43754 19.97583 0.005482 0.007015 -0.002701
C 8.08525 4.71084 19.97067 -0.01227 0.000414 -0.004513
C 5.14244 7.25743 19.987 0.000666 0.008386 0.004222
C 5.88064 5.98413 19.98731 0.014069 -0.006449 0.005036
C 7.34705 5.98413 19.98197 0.0061 -0.010542 0.001796
C 8.08525 7.25743 19.98694 -0.014618 -0.002136 0.004277
C 5.14244 9.80403 19.96668 0.010479 -0.006653 -0.007386
C 5.88064 8.53073 19.98083 -0.010333 0.018597 -7.8e-05
C 7.34705 8.53073 19.98676 0.003634 -0.004696 0.003376
C 8.08525 9.80403 19.98638 -0.004139 0.002407 0.003135
C 5.14244 12.35062 19.96248 0.00376 0.01971 -0.009209
C 5.88064 11.07732 19.96155 0.012277 -0.013778 -0.009458
C 7.34705 11.07732 19.9773 -0.01542 0.003253 -0.002432
C 8.08525 12.35062 19.98497 -0.004158 -0.005813 0.00185
C 5.14244 14.89722 19.98539 0.002652 -0.010269 0.003081
C 5.88064 13.62392 19.97569 -0.004602 -0.016899 -0.002499
C 7.34705 13.62392 19.98369 -0.004359 0.01669 0.001671
C 8.08525 14.89722 19.98686 -0.015492 -0.01515 0.004671
C 7.30219 13.61749 28.13286 -0.003485 0.003773 -0.001028
C 8.08397 12.51675 27.97488 0.006285 -0.005583 0.00177
C 4.12289 12.52382 23.34321 0.01673 -0.016221 -0.000509
C 7.84454 11.35825 28.78117 -0.001293 -0.000823 -0.001244
C 5.48008 12.08148 23.08918 -0.03269 -0.050327 -0.000246
C 8.70358 12.14211 26.65624 0.000932 0.00507 -0.001176
C 7.64649 10.66953 24.28437 0.030855 3.6e-05 -0.000119
C 7.21246 13.82619 25.64534 -0.013678 0.018844 -0.002805
C 3.9 13.62547 24.18132 -0.004289 0.023777 7.5e-05
C 6.30334 13.89834 24.51789 0.006563 0.028855 0.001595
C 4.12293 10.193 23.34233 0.0163 0.023178 -0.000703
C 8.02708 12.7566 25.50398 0.008249 -0.024307 0.002234
C 6.55654 12.77254 23.66415 0.041769 0.015846 4.6e-05
C 2.92845 13.82623 27.634 0.002488 0.001819 -0.000467
C 2.11376 12.75663 27.77443 0.0044 -0.005582 -0.000733
C 6.55655 9.9442 23.66382 0.047857 -0.025679 -0.000156
C 3.83763 13.89822 28.76224 -0.009773 -0.003741 -0.000332
C 1.43728 12.14216 26.62214 -0.001387 0.002075 -0.000269
C 5.4801 10.63534 23.08854 -0.03376 0.057786 -0.000309
C 7.64645 12.04711 24.28456 0.030632 -0.003679 -0.000114
C 6.94281 14.48526 26.95224 0.007118 0.002292 0.003243
C 5.49065 14.69445 27.1631 -0.007719 -0.001964 -0.002697
C 2.8388 13.61751 25.14682 -0.009195 0.012365 -0.000766
C 3.90004 9.09137 24.18093 -0.000654 -0.029587 -0.000322
C 3.19826 14.48522 26.32713 -0.009146 0.005421 -0.000137
C 5.01354 14.31407 24.76973 0.011862 0.021192 -0.001213
C 4.65044 14.69436 26.11641 0.009596 -0.005298 0.002443
C 5.01355 8.40269 24.76924 0.001372 -0.022054 4.5e-05
C 6.85097 11.35823 29.77536 0.000557 -0.000302 0.000772
C 2.05689 12.51681 25.30381 -0.011589 0.001258 -0.000594
C 2.89321 1.45934 25.14622 0.00314 -0.017585 0.001722
C 3.67516 2.55997 25.30327 0.012037 0.010883 -0.004041
C 8.53247 2.55303 29.93942 0.005477 -0.004477 -0.00017
C 3.4357 3.71854 24.49635 0.02132 0.001492 0.002582
C 1.07122 2.99539 30.19889 0.017864 -0.003728 -0.000789
C 4.29472 2.93458 26.62178 -0.00027 -0.001016 0.001696
C 3.23758 4.40723 28.994 -0.001364 -0.000758 -0.001053
C 2.80354 1.25056 27.63363 -0.003506 -0.000231 0.002091
C 8.30953 1.45137 29.09855 0.011074 -0.001964 -0.000232
C 1.89438 1.17847 28.76193 0.008414 0.002816 -0.001963
C 8.53245 4.88384 29.93938 0.00499 0.005138 -0.000415
C 3.61826 2.32009 27.77417 -0.005121 0.005909 -0.003505
C 2.14764 2.30432 29.61591 0.008113 0.007286 -0.000732
C 7.33789 1.25049 25.64529 0.005495 -0.01173 0.003183
C 6.52333 2.32013 25.50405 -0.00112 0.015684 -0.001384
C 2.14762 5.13257 29.61584 0.00634 -0.005403 -0.00097
C 8.2471 1.17854 24.51773 -0.010539 -0.014512 -0.001729
C 5.84687 2.93457 26.65622 -0.002155 -0.005265 8.1e-05
C 1.07118 4.4415 30.19885 0.019092 0.005954 -0.00092
C 3.23762 3.02965 28.99412 -0.001261 0.001299 -0.000369
C 2.53373 0.59159 26.32684 0.010171 -0.006134 -0.002672
C 1.08156 0.38246 26.1162 -0.005523 0.00518 -0.006287
C 7.2483 1.45927 28.13277 0.004277 -0.00432 0.000335
C 8.30951 5.98554 29.09852 0.010337 0.002222 -0.000164
C 7.60763 0.59149 26.95224 -0.008256 -0.004496 -0.003255
C 0.60457 0.76268 28.50978 -0.000566 0.002658 -0.001447
C 0.24136 0.38235 27.16269 0.004806 0.00493 0.005638
C 0.60455 6.6742 28.50973 -0.001144 -0.00299 -0.002157
C 2.44208 3.7186 23.5026 0.007348 0.001057 -0.002412
C 6.46645 2.55995 27.97493 -0.007387 0.005463 0.000316
C 2.83879 9.09912 25.14648 -0.010142 -0.007183 -0.000475
C 2.05684 10.19976 25.30375 -0.010839 -0.003877 -0.001277
C 6.01799 10.19281 29.93932 -0.005671 -0.00504 -5.4e-05
C 2.29629 11.35832 24.49717 -0.023471 0.000147 -0.000363
C 4.66078 10.63518 30.199 -0.017012 -0.002696 -0.000537
C 1.43727 10.57437 26.6221 -0.002052 -0.002508 0.001162
C 2.49442 12.04702 28.9943 0.001335 -0.001423 -0.000477
C 2.92846 8.89034 27.63378 0.002776 -0.00326 7.4e-05
C 6.24093 9.09115 29.09843 -0.010404 -0.00107 0.000243
C 3.83762 8.81826 28.76201 -0.008646 0.002638 -0.000939
C 6.01801 12.52363 29.93947 -0.004712 0.003911 1.1e-05
C 2.11374 9.95988 27.77435 0.004175 0.004987 -0.00205
C 3.58436 9.94411 29.61598 -0.004746 0.00501 -0.000494
C 7.21257 8.89028 25.64496 -0.016422 -0.019296 -0.002052
C 8.02713 9.95992 25.50376 0.007481 0.025498 0.002026
C 3.58438 12.77236 29.61612 -0.006619 -0.00395 -0.000432
C 6.30336 8.81833 24.51746 0.011188 -0.019843 0.001025
C 8.70359 10.57436 26.65618 0.000163 -0.005909 -0.001509
C 4.66082 12.08129 30.19908 -0.017005 0.002661 -0.000376
C 2.49438 10.66944 28.99426 0.001115 0.00182 -0.000223
C 3.19827 8.23138 26.32683 -0.008616 -0.005047 -0.000544
C 4.65044 8.02224 26.11604 0.009606 0.007532 -0.00296
C 7.30216 9.09905 28.13264 -0.004324 -0.004485 -0.000853
C 6.24095 13.62533 29.09866 -0.008766 0.001741 0.000675
C 6.94283 8.23128 26.95198 0.007724 -0.003604 0.001371
C 5.12743 8.40247 28.50962 0.001112 0.004157 -0.00095
C 5.49064 8.02214 27.16265 -0.006682 0.002831 0.002352
C 5.12745 14.31399 28.50993 0.001081 -0.003648 0.000405
C 3.28992 11.35839 23.50466 0.002723 0.003446 -0.000635
C 8.08401 10.19974 27.97481 0.005709 0.005934 0.001704
C 7.24827 5.9777 28.13271 0.004782 0.003984 -0.000492
C 6.46649 4.87696 27.97485 -0.007923 -0.006059 0.000717
C 1.60911 4.88403 23.34115 -0.006955 -0.008867 -0.000706
C 6.70592 3.71846 28.7812 0.001414 0.000856 -0.000973
C 0.25192 4.4417 23.08629 0.013231 -0.054669 -0.000509
C 5.84688 4.50232 26.65614 -0.001842 0.005136 -0.000989
C 6.90397 3.02974 24.28407 -0.025024 -0.01597 0.000381
C 7.338 6.1864 25.6452 0.006683 0.011295 0.000946
C 1.832 5.98568 24.1805 0.001611 0.00935 -0.002183
C 8.24712 6.25855 24.5175 -0.007963 0.009748 -0.001071
C 1.60907 2.55321 23.34198 -0.023901 0.014953 -0.000389
C 6.52338 5.11681 25.50392 -0.001897 -0.015709 1.5e-05
C 7.99392 5.13276 23.66389 -0.036394 0.014832 -0.000195
C 2.80355 6.18645 27.63359 -0.003992 -0.000602 6e-06
C 3.61824 5.11685 27.77406 -0.00512 -0.007035 -0.001858
C 7.99391 2.30441 23.66442 -0.026196 -0.002254 6.6e-05
C 1.89437 6.25844 28.76189 0.009383 -0.003032 -0.001293
C 4.29472 4.50237 26.6217 -0.000585 0.002197 3.9e-05
C 0.2519 2.99555 23.08708 0.019852 0.039547 -0.000338
C 6.90401 4.40733 24.28393 -0.017341 0.014918 -0.000257
C 7.60765 6.84548 26.95213 -0.007387 0.003301 -0.001932
C 0.24135 7.05466 27.16272 0.005875 -0.003147 0.005401
C 2.8932 5.97772 25.14591 -0.006202 0.021718 0.0009
C 1.83196 1.45158 24.18077 0.001255 -0.013107 -0.00232
C 2.53374 6.84544 26.32668 0.009373 0.004292 -0.001528
C 0.71846 6.67429 24.76928 -0.004109 0.017977 0.001424
C 1.08156 7.05457 26.11616 -0.007158 -0.007078 -0.006583
C 0.71845 0.76291 24.76935 -0.00329 -0.016166 0.002198
C 7.69949 3.71844 29.77541 -0.000997 0.000444 0.0003
C 3.67511 4.87702 25.30308 0.017881 -0.018818 -0.003517
168
energy=-1515.04708707 config_type=nep2xyz pbc="T T T" virial="-38.23009050258066 -0.11357641528248548 0.022622773573482857 -0.11357641528248548 -43.52402976760068 0.007526907936158794 0.022622773573482857 0.007526907936158794 -5.005519926840617" 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 19.97017 0.000745 0.009789 -0.004459
C 1.47141 0.89094 19.98196 -0.005041 0.007579 0.001896
C 2.93782 0.89094 19.98639 0.000269 0.008736 0.004239
C 3.67602 2.16424 19.98504 0.000504 -0.006352 0.003642
C 0.73321 4.71084 19.96586 0.003395 0.00369 -0.006578
C 1.47141 3.43754 19.9646 0.010077 -0.006109 -0.00712
C 2.93782 3.43754 19.97705 -0.020192 0.006815 -0.001721
C 3.67602 4.71084 19.98281 0.007195 -0.000425 0.001867
C 0.73321 7.25743 19.98606 0.005582 -0.006915 0.004024
C 1.47141 5.98413 19.97671 0.001834 -0.008286 -0.00116
C 2.93782 5.98413 19.98279 -0.004783 0.006195 0.00177
C 3.67602 7.25743 19.98655 -0.00974 -0.011689 0.003862
C 0.73321 9.80403 19.98822 -0.003846 0.009106 0.005285
C 1.47141 8.53073 19.98831 -0.003815 -0.003389 0.005485
C 2.93782 8.53073 19.98424 0.016241 0.019095 0.002262
C 3.67602 9.80403 19.97383 -0.000814 -0.014153 -0.004436
C 0.73321 12.35062 19.98778 -0.001885 0.003103 0.004583
C 1.47141 11.07732 19.98527 0.017332 -0.005586 0.002882
C 2.93782 11.07732 19.97568 -0.010791 0.003159 -0.003764
C 3.67602 12.35062 19.97162 0.002887 -0.002645 -0.005508
C 0.73321 14.89722 19.9878 0.001556 0.009374 0.005673
C 1.47141 13.62392 19.98841 0.000757 -0.008983 0.005793
C 2.93782 13.62392 19.9835 0.012501 -0.002931 0.001852
C 3.67602 14.89722 19.98704 -0.007331 -0.008593 0.00438
C 5.14244 2.16424 19.98856 -0.006601 0.01293 0.006396
C 5.88064 0.89094 19.98839 0.00632 -0.001935 0.006176
C 7.34705 0.89094 19.98477 0.011446 0.019524 0.003748
C 8.08525 2.16424 19.9757 0.0007 -0.011329 -0.001877
C 5.14244 4.71084 19.98742 -0.013545 8.5e-05 0.005373
C 5.88064 3.43754 19.98671 0.003932 -0.006265 0.00435
C 7.34705 3.43754 19.97841 0.008728 0.007938 -0.001391
C 8.08525 4.71084 19.97265 -0.00716 -0.000634 -0.003367
C 5.14244 7.25743 19.9873 0.00078 0.009824 0.004511
C 5.88064 5.98413 19.98802 0.011028 -0.007546 0.005769
C 7.34705 5.98413 19.98353 0.007511 -0.009463 0.002886
C 8.08525 7.25743 19.98733 -0.014301 1e-06 0.004595
C 5.14244 9.80403 19.96711 0.005569 -0.005611 -0.006964
C 5.88064 8.53073 19.98107 -0.008905 0.015653 0.000144
C 7.34705 8.53073 19.98651 0.005637 -0.003611 0.003309
C 8.08525 9.80403 19.98514 -0.004819 0.004902 0.002403
C 5.14244 12.35062 19.96311 -0.000347 0.018346 -0.00883
C 5.88064 11.07732 19.96107 0.009609 -0.013369 -0.009628
C 7.34705 11.07732 19.97524 -0.005757 0.003445 -0.003312
C 8.08525 12.35062 19.98369 -0.005987 -0.010288 0.001052
C 5.14244 14.89722 19.98562 0.002818 -0.009275 0.003592
C 5.88064 13.62392 19.97583 -0.00324 -0.016179 -0.002372
C 7.34705 13.62392 19.98309 -0.003089 0.017261 0.001281
C 8.08525 14.89722 19.98687 -0.014845 -0.017192 0.004779
C 7.52265 13.61749 28.13284 -0.00335 0.003926 -0.00119
C 8.30443 12.51675 27.97485 0.006318 -0.0055 0.002037
C 4.34335 12.52382 23.34335 0.0214 -0.02043 -0.000456
C 8.065 11.35825 28.78114 -0.0011 -0.001027 -0.001728
C 5.70054 12.08148 23.08968 -0.03374 -0.051965 -0.000245
C 0.10558 12.14211 26.65621 0.001114 0.005321 -0.001241
C 7.86695 10.66953 24.28435 0.032845 0.004069 -0.000362
C 7.43292 13.82619 25.64535 -0.013122 0.018732 -0.002879
C 4.12046 13.62547 24.18132 -0.005564 0.027198 -0.000236
C 6.5238 13.89834 24.51792 0.006696 0.031302 0.001571
C 4.34339 10.193 23.34231 0.015844 0.024651 -0.000676
C 8.24755 12.7566 25.50397 0.008307 -0.023993 0.002272
C 6.777 12.77254 23.6642 0.037948 0.016574 5.4e-05
C 3.14891 13.82623 27.63396 0.002465 0.0016 0.000157
C 2.33423 12.75663 27.77439 0.00438 -0.0055 -0.001191
C 6.77701 9.9442 23.6637 0.046581 -0.028526 -0.000212
C 4.05809 13.89822 28.76221 -0.009882 -0.00402 -0.000655
C 1.65774 12.14216 26.62209 -0.001165 0.002139 0.00014
C 5.70056 10.63534 23.08884 -0.032641 0.063573 -0.000319
C 7.86691 12.04711 24.28458 0.035064 -0.007153 -0.000136
C 7.16328 14.48526 26.95223 0.007107 0.002411 0.003332
C 5.71112 14.69445 27.16308 -0.007816 -0.002429 -0.002576
C 3.05926 13.61751 25.14679 -0.010117 0.01298 -0.000314
C 4.12051 9.09137 24.18087 -0.002557 -0.03099 -0.000633
C 3.41872 14.48522 26.32711 -0.009093 0.005198 -0.000668
C 5.234 14.31407 24.7697 0.011871 0.021506 -0.000988
C 4.8709 14.69436 26.1164 0.009435 -0.005203 0.002177
C 5.23402 8.40269 24.76919 0.003353 -0.023281 0.000648
C 7.07144 11.35823 29.77533 0.000417 -0.000351 0.00089
C 2.27736 12.51681 25.30375 -0.011402 0.000997 -0.001265
C 3.11367 1.45934 25.14618 0.002914 -0.018595 0.001613
C 3.89563 2.55997 25.30324 0.012008 0.010735 -0.00402
C 8.75294 2.55303 29.9394 0.005641 -0.004656 -0.000224
C 3.65617 3.71854 24.49634 0.023888 0.000627 0.002281
C 1.29168 2.99539 30.19888 0.017899 -0.003402 -0.000818
C 4.51519 2.93458 26.62176 -0.000254 -0.001314 0.001815
C 3.45804 4.40723 28.99398 -0.001486 -0.000752 -0.001114
C 3.024 1.25056 27.63361 -0.003717 -0.000265 0.002332
C 8.52999 1.45137 29.09853 0.011246 -0.002041 -0.000243
C 2.11484 1.17847 28.76192 0.008641 0.002806 -0.00211
C 8.75291 4.88384 29.93935 0.005115 0.005412 -0.000466
C 3.83872 2.32009 27.77415 -0.005331 0.00572 -0.003721
C 2.3681 2.30432 29.61589 0.008061 0.007035 -0.000749
C 7.55835 1.25049 25.64527 0.005237 -0.012232 0.003057
C 6.74379 2.32013 25.50409 -0.000959 0.015638 -0.001383
C 2.36808 5.13257 29.61581 0.006121 -0.00519 -0.001035
C 8.46756 1.17854 24.51767 -0.010369 -0.015008 -0.00162
C 6.06733 2.93457 26.65623 -0.002439 -0.00538 7.4e-05
C 1.29164 4.4415 30.19884 0.019196 0.005731 -0.00095
C 3.45808 3.02965 28.9941 -0.00135 0.001342 -0.000357
C 2.75419 0.59159 26.32681 0.009862 -0.005776 -0.003086
C 1.30202 0.38246 26.11613 -0.006791 0.005426 -0.00419
C 7.46876 1.45927 28.13276 0.00416 -0.004446 0.000326
C 8.52997 5.98554 29.09848 0.010628 0.002313 -0.000207
C 7.8281 0.59149 26.95222 -0.007759 -0.004214 -0.003037
C 0.82504 0.76268 28.50974 -0.000503 0.003117 -0.001046
C 0.46182 0.38235 27.16268 0.005811 0.004652 0.003788
C 0.82501 6.6742 28.50967 -0.000983 -0.003483 -0.001983
C 2.66254 3.7186 23.50275 0.000771 0.000202 -0.002341
C 6.68691 2.55995 27.97494 -0.007687 0.005345 0.000326
C 3.05925 9.09912 25.14634 -0.008378 -0.009382 -0.000101
C 2.2773 10.19976 25.30364 -0.012165 -0.000792 -0.002015
C 6.23845 10.19281 29.93928 -0.005775 -0.005125 -0.000115
C 2.51676 11.35832 24.49711 -0.027679 -0.000882 0.000398
C 4.88125 10.63518 30.19897 -0.017125 -0.002593 -0.000651
C 1.65774 10.57437 26.62201 -0.001765 -0.002911 0.001654
C 2.71488 12.04702 28.99425 0.00148 -0.001622 -0.0004
C 3.14892 8.89034 27.6337 0.002843 -0.003075 0.000309
C 6.46139 9.09115 29.09839 -0.010542 -0.001081 0.000276
C 4.05808 8.81826 28.76196 -0.008925 0.002884 -0.001035
C 6.23847 12.52363 29.93945 -0.004711 0.003824 -3.3e-05
C 2.3342 9.95988 27.77428 0.004183 0.005022 -0.002382
C 3.80482 9.94411 29.61592 -0.004557 0.004789 -0.000537
C 7.43303 8.89028 25.6449 -0.016471 -0.019221 -0.002442
C 8.24759 9.95992 25.50371 0.008248 0.025052 0.002596
C 3.80485 12.77236 29.61608 -0.006846 -0.003905 -0.000425
C 6.52382 8.81833 24.51739 0.009524 -0.022584 0.001115
C 0.10559 10.57436 26.65614 0.000158 -0.006257 -0.002325
C 4.88128 12.08129 30.19906 -0.016999 0.002288 -0.000421
C 2.71484 10.66944 28.9942 0.001206 0.001997 -0.000206
C 3.41873 8.23138 26.32675 -0.008636 -0.004641 -0.000525
C 4.8709 8.02224 26.11601 0.009307 0.008252 -0.005335
C 7.52262 9.09905 28.1326 -0.004318 -0.004496 -0.001069
C 6.46141 13.62533 29.09864 -0.008847 0.0018 0.000715
C 7.16329 8.23128 26.95194 0.007304 -0.003161 0.001307
C 5.34789 8.40247 28.50957 0.001491 0.003979 -0.001642
C 5.7111 8.02214 27.16258 -0.006275 0.002939 0.004617
C 5.34791 14.31399 28.50991 0.001155 -0.003658 0.000418
C 3.51038 11.35839 23.50451 0.006282 0.00285 -0.000977
C 8.30447 10.19974 27.97477 0.005701 0.005844 0.002117
C 7.46873 5.9777 28.13268 0.00486 0.00428 -0.000432
C 6.68695 4.87696 27.97485 -0.008247 -0.006076 0.000562
C 1.82957 4.88403 23.34094 -0.005975 -0.009549 -0.000754
C 6.92638 3.71846 28.7812 0.001326 0.000948 -0.001032
C 0.47238 4.4417 23.08641 0.012549 -0.049597 -0.000553
C 6.06734 4.50232 26.65615 -0.002115 0.005263 -0.000665
C 7.12443 3.02974 24.2842 -0.02679 -0.009655 0.00038
C 7.55846 6.1864 25.64517 0.006489 0.011915 0.001195
C 2.05246 5.98568 24.18043 -0.000944 0.011258 -0.002203
C 8.46758 6.25855 24.51741 -0.009921 0.007391 -0.001214
C 1.82953 2.55321 23.3419 -0.020666 0.012611 -0.00042
C 6.74384 5.11681 25.50395 -0.001066 -0.016053 -0.000359
C 8.21438 5.13276 23.66388 -0.035158 0.01787 -0.000209
C 3.02401 6.18645 27.63356 -0.004099 -0.000353 -0.000168
C 3.8387 5.11685 27.77403 -0.005394 -0.006844 -0.001668
C 8.21437 2.30441 23.6644 -0.024688 -0.00358 2.4e-05
C 2.11483 6.25844 28.76186 0.009308 -0.003026 -0.001289
C 4.51518 4.50237 26.62169 -0.000381 0.002385 -0.000331
C 0.47236 2.99555 23.08729 0.017773 0.035414 -0.00037
C 7.12447 4.40733 24.28404 -0.020168 0.009874 -0.000212
C 7.82811 6.84548 26.95209 -0.00735 0.003657 -0.002081
C 0.46181 7.05466 27.16266 0.006667 -0.003294 0.004727
C 3.11366 5.97772 25.14587 -0.005219 0.020795 0.000674
C 2.05242 1.45158 24.18076 -9.5e-05 -0.012522 -0.002219
C 2.7542 6.84544 26.32663 0.008828 0.003753 -0.001526
C 0.93892 6.67429 24.76916 0.000656 0.019688 0.001219
C 1.30202 7.05457 26.11608 -0.008151 -0.007421 -0.005944
C 0.93891 0.76291 24.7693 -0.002372 -0.018214 0.001466
C 7.91995 3.71844 29.7754 -0.000893 0.000521 0.000292
C 3.89557 4.87702 25.30307 0.01708 -0.016519 -0.003362
168
energy=-1515.04749221 config_type=nep2xyz pbc="T T T" virial="-38.22029290733415 -0.11912698426334002 0.01337182527205864 -0.11912698426334002 -43.49118890113063 0.0068961614610616884 0.01337182527205864 0.0068961614610616884 -5.0156539202071775" 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 19.96978 0.000136 0.006828 -0.004672
C 1.47141 0.89094 19.98162 -0.005636 0.0084 0.001477
C 2.93782 0.89094 19.98584 0.001857 0.010582 0.003724
C 3.67602 2.16424 19.98383 -0.001147 -0.007283 0.002782
C 0.73321 4.71084 19.96553 0.000235 0.010587 -0.006773
C 1.47141 3.43754 19.96278 0.014977 -0.008849 -0.007861
C 2.93782 3.43754 19.97485 -0.020338 0.006586 -0.003023
C 3.67602 4.71084 19.98134 0.00625 -0.000382 0.000888
C 0.73321 7.25743 19.98587 0.006426 -0.009216 0.00374
C 1.47141 5.98413 19.97593 -0.001675 -0.007717 -0.001748
C 2.93782 5.98413 19.98174 -0.003162 0.006913 0.000938
C 3.67602 7.25743 19.98652 -0.010205 -0.013593 0.003908
C 0.73321 9.80403 19.98755 -0.007203 0.007888 0.004729
C 1.47141 8.53073 19.98821 -0.004213 -0.003055 0.005397
C 2.93782 8.53073 19.98488 0.01513 0.018542 0.002694
C 3.67602 9.80403 19.97548 0.000696 -0.012484 -0.003404
C 0.73321 12.35062 19.98716 -0.003862 0.004803 0.004179
C 1.47141 11.07732 19.98538 0.018923 -0.005051 0.002964
C 2.93782 11.07732 19.97738 -0.01288 0.002896 -0.002564
C 3.67602 12.35062 19.97365 0.004653 -0.003805 -0.004339
C 0.73321 14.89722 19.98773 0.000658 0.009635 0.005448
C 1.47141 13.62392 19.98853 -0.000971 -0.010277 0.005832
C 2.93782 13.62392 19.9845 0.011286 -0.002279 0.002627
C 3.67602 14.89722 19.98736 -0.006508 -0.006921 0.004625
C 5.14244 2.16424 19.98845 -0.008003 0.011797 0.00642
C 5.88064 0.89094 19.98867 0.003714 -0.003163 0.006502
C 7.34705 0.89094 19.98546 0.012969 0.020189 0.004327
C 8.08525 2.16424 19.97699 0.004019 -0.0136 -0.001214
C 5.14244 4.71084 19.98734 -0.013993 0.001802 0.005408
C 5.88064 3.43754 19.98742 0.00183 -0.00608 0.004824
C 7.34705 3.43754 19.9805 0.009546 0.007308 -0.000391
C 8.08525 4.71084 19.97449 -0.000289 -0.001143 -0.002759
C 5.14244 7.25743 19.98763 0.001704 0.010425 0.004989
C 5.88064 5.98413 19.98861 0.007327 -0.007908 0.006457
C 7.34705 5.98413 19.98488 0.008576 -0.00886 0.003621
C 8.08525 7.25743 19.98756 -0.012441 0.001684 0.004733
C 5.14244 9.80403 19.96814 -0.000375 -0.002644 -0.006288
C 5.88064 8.53073 19.98143 -0.006464 0.011585 0.000469
C 7.34705 8.53073 19.98605 0.006406 -0.001376 0.002997
C 8.08525 9.80403 19.98344 -0.004224 0.007905 0.001517
C 5.14244 12.35062 19.96438 -0.003418 0.013882 -0.008101
C 5.88064 11.07732 19.96104 0.005065 -0.011013 -0.009495
C 7.34705 11.07732 19.97287 0.004707 0.003129 -0.00411
C 8.08525 12.35062 19.98194 -0.006121 -0.014331 9.3e-05
C 5.14244 14.89722 19.98591 0.003833 -0.008439 0.003986
C 5.88064 13.62392 19.97618 -0.000938 -0.013951 -0.002045
C 7.34705 13.62392 19.98233 -0.002949 0.015157 0.00085
C 8.08525 14.89722 19.98676 -0.012788 -0.01748 0.004683
C 7.74311 13.61749 28.13285 -0.003348 0.004086 -0.001071
C 8.5249 12.51675 27.97486 0.006719 -0.005457 0.001948
C 4.56381 12.52382 23.34328 0.026482 -0.023254 -0.000313
C 8.28547 11.35825 28.78114 -0.000941 -0.001149 -0.001992
C 5.921 12.08148 23.09001 -0.033067 -0.054881 -0.00021
C 0.32604 12.14211 26.65622 0.00164 0.005369 -0.000557
C 8.08741 10.66953 24.28436 0.033334 0.006415 -0.000529
C 7.65338 13.82619 25.64539 -0.011757 0.01816 -0.001745
C 4.34092 13.62547 24.18125 -0.006504 0.029858 -0.000863
C 6.74426 13.89834 24.51796 0.007793 0.032496 0.000991
C 4.56385 10.193 23.34218 0.016436 0.024372 -0.000604
C 8.46801 12.7566 25.50404 0.00775 -0.022701 0.00127
C 6.99746 12.77254 23.66434 0.03265 0.015816 0.000145
C 3.36937 13.82623 27.63389 0.002491 0.001175 0.000722
C 2.55469 12.75663 27.77431 0.004563 -0.005606 -0.001581
C 6.99747 9.9442 23.66373 0.043137 -0.02867 -0.000217
C 4.27855 13.89822 28.76217 -0.009978 -0.004312 -0.000992
C 1.8782 12.14216 26.62199 -0.000707 0.001994 0.000208
C 5.92102 10.63534 23.08907 -0.030154 0.070404 -0.000293
C 8.08737 12.04711 24.28461 0.037842 -0.008256 0.000158
C 7.38374 14.48526 26.95226 0.007304 0.002739 0.002405
C 5.93158 14.69445 27.16304 -0.007812 -0.003087 -0.001379
C 3.27972 13.61751 25.14668 -0.009588 0.013834 0.000483
C 4.34097 9.09137 24.18079 -0.004404 -0.031319 -0.001249
C 3.63918 14.48522 26.32706 -0.009147 0.005136 -0.001416
C 5.45447 14.31407 24.76966 0.010437 0.020655 -0.00033
C 5.09136 14.69436 26.11638 0.008851 -0.005081 0.001038
C 5.45448 8.40269 24.76915 0.004756 -0.02331 0.001782
C 7.2919 11.35823 29.77533 0.000315 -0.000359 0.000963
C 2.49782 12.51681 25.30363 -0.011987 -0.000975 -0.002158
C 3.33414 1.45934 25.14618 0.002801 -0.01816 0.000759
C 4.11609 2.55997 25.30324 0.012171 0.00911 -0.003068
C 0.15494 2.55303 29.9394 0.005874 -0.004919 -0.000214
C 3.87663 3.71854 24.49635 0.023786 -0.000309 0.001021
C 1.51214 2.99539 30.19888 0.018018 -0.0031 -0.00082
C 4.73565 2.93458 26.62177 -5.2e-05 -0.001544 0.001507
C 3.6785 4.40723 28.99398 -0.001554 -0.000776 -0.00129
C 3.24446 1.25056 27.6336 -0.003835 -0.000682 0.001837
C 8.75046 1.45137 29.09853 0.011502 -0.002179 -0.000286
C 2.3353 1.17847 28.76191 0.00885 0.002835 -0.001924
C 0.15491 4.88384 29.93935 0.005275 0.005659 -0.000431
C 4.05918 2.32009 27.77414 -0.005744 0.005524 -0.003423
C 2.58856 2.30432 29.61588 0.007813 0.006678 -0.000802
C 7.77882 1.25049 25.64527 0.005756 -0.013302 0.00227
C 6.96425 2.32013 25.50416 -0.001333 0.016158 -0.000824
C 2.58854 5.13257 29.61581 0.005895 -0.004942 -0.001062
C 8.68802 1.17854 24.51759 -0.011355 -0.015674 -0.001149
C 6.28779 2.93457 26.6563 -0.002789 -0.005365 -0.000306
C 1.5121 4.4415 30.19884 0.019305 0.005393 -0.000937
C 3.67854 3.02965 28.99409 -0.001437 0.001405 -0.000352
C 2.97465 0.59159 26.32678 0.009416 -0.005461 -0.002699
C 1.52248 0.38246 26.11605 -0.008644 0.005751 -0.001178
C 7.68922 1.45927 28.13277 0.0041 -0.004601 0.000332
C 8.75043 5.98554 29.09848 0.010912 0.002471 -0.000312
C 8.04856 0.59149 26.9522 -0.007291 -0.003986 -0.002076
C 1.0455 0.76268 28.50969 -0.000425 0.003776 -0.000279
C 0.68228 0.38235 27.16268 0.007376 0.004107 0.000633
C 1.04547 6.6742 28.50962 -0.000722 -0.004147 -0.001302
C 2.883 3.7186 23.503 -0.003151 -0.000662 -0.001834
C 6.90737 2.55995 27.97498 -0.008042 0.00526 0.000313
C 3.27971 9.09912 25.14616 -0.005449 -0.012142 0.000704
C 2.49776 10.19976 25.30347 -0.014047 0.004069 -0.003205
C 6.45891 10.19281 29.93927 -0.005933 -0.005188 -0.000139
C 2.73722 11.35832 24.49693 -0.029633 -0.001962 0.001639
C 5.10171 10.63518 30.19892 -0.017481 -0.002743 -0.000694
C 1.8782 10.57437 26.62189 -0.00117 -0.003119 0.002675
C 2.93534 12.04702 28.99419 0.001617 -0.00176 -0.000414
C 3.36938 8.89034 27.63361 0.002849 -0.002528 0.000818
C 6.68185 9.09115 29.09837 -0.010921 -0.001232 0.000308
C 4.27854 8.81826 28.7619 -0.009254 0.003181 -0.001381
C 6.45893 12.52363 29.93944 -0.00476 0.00383 -6.5e-05
C 2.55466 9.95988 27.77419 0.004328 0.005211 -0.003283
C 4.02528 9.94411 29.61586 -0.004649 0.004874 -0.000546
C 7.65349 8.89028 25.64491 -0.015502 -0.018433 -0.002302
C 8.46805 9.95992 25.50373 0.008687 0.02344 0.003077
C 4.02531 12.77236 29.61604 -0.007173 -0.004096 -0.000465
C 6.74428 8.81833 24.51738 0.008481 -0.025134 0.000909
C 0.32605 10.57436 26.65615 0.000536 -0.006484 -0.003249
C 5.10174 12.08129 30.19902 -0.017244 0.002225 -0.000499
C 2.9353 10.66944 28.99411 0.001382 0.002159 -0.000163
C 3.63919 8.23138 26.32667 -0.008895 -0.004393 -0.000955
C 5.09136 8.02224 26.116 0.008309 0.008807 -0.00893
C 7.74308 9.09905 28.13259 -0.004309 -0.004535 -0.001279
C 6.68187 13.62533 29.09864 -0.00916 0.00197 0.000682
C 7.38375 8.23128 26.95194 0.007076 -0.002856 0.000754
C 5.56835 8.40247 28.50954 0.001837 0.003583 -0.002533
C 5.93157 8.02214 27.16251 -0.005546 0.003263 0.008092
C 5.56837 14.31399 28.50989 0.001168 -0.003434 0.000154
C 3.73084 11.35839 23.5041 0.005173 0.002046 -0.001503
C 8.52493 10.19974 27.97476 0.005952 0.005786 0.002546
C 7.68919 5.9777 28.13268 0.004912 0.004573 -0.000154
C 6.90741 4.87696 27.9749 -0.008712 -0.00606 0.000153
C 2.05003 4.88403 23.34074 -0.005639 -0.009306 -0.000793
C 7.14684 3.71846 28.78123 0.001352 0.000926 -0.000676
C 0.69284 4.4417 23.08671 0.012693 -0.044006 -0.000582
C 6.28781 4.50232 26.6562 -0.002549 0.00518 6.9e-05
C 7.3449 3.02974 24.28444 -0.027792 -0.00239 0.000244
C 7.77893 6.1864 25.64518 0.006715 0.013135 0.001253
C 2.27292 5.98568 24.1804 -0.00418 0.014271 -0.001694
C 8.68805 6.25855 24.51736 -0.013076 0.005777 -0.001117
C 2.04999 2.55321 23.34174 -0.016806 0.009148 -0.000547
C 6.9643 5.11681 25.50405 -0.000523 -0.016836 -0.000725
C 8.43484 5.13276 23.66398 -0.033827 0.020144 -0.000202
C 3.24447 6.18645 27.63356 -0.004102 0.000219 -0.000869
C 4.05916 5.11685 27.77403 -0.005861 -0.006604 -0.001
C 8.43484 2.30441 23.66442 -0.024412 -0.005437 2e-06
C 2.33529 6.25844 28.76184 0.009246 -0.00308 -0.001051
C 4.73564 4.50237 26.62172 -3.4e-05 0.002402 -0.001205
C 0.69282 2.99555 23.08758 0.016814 0.03235 -0.000406
C 7.34493 4.40733 24.28428 -0.022876 0.003944 -3.8e-05
C 8.04857 6.84548 26.95208 -0.007429 0.004119 -0.001806
C 0.68227 7.05466 27.16264 0.008165 -0.003228 0.002208
C 3.33413 5.97772 25.1459 -0.003326 0.01834 -0.00013
C 2.27288 1.45158 24.18074 -0.002114 -0.013089 -0.001621
C 2.97466 6.84544 26.3266 0.008243 0.003379 -0.00098
C 1.15938 6.67429 24.76907 0.006575 0.020848 0.000394
C 1.52249 7.05457 26.116 -0.009732 -0.007487 -0.003442
C 1.15937 0.76291 24.76925 7e-06 -0.019932 0.00028
C 8.14041 3.71844 29.77542 -0.000857 0.000556 0.000186
C 4.11603 4.87702 25.3031 0.016154 -0.012292 -0.002267
168
energy=-1515.04723658 config_type=nep2xyz pbc="T T T" virial="-38.22243744534948 -0.10874069230674102 -0.0007989455351230005 -0.10874069230674102 -43.47462129371807 0.006223365220958109 -0.0007989455351230005 0.006223365220958109 -5.009724903341265" 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 19.96952 -0.000718 0.00304 -0.004994
C 1.47141 0.89094 19.98135 -0.006156 0.010151 0.00103
C 2.93782 0.89094 19.98529 0.002682 0.010654 0.003185
C 3.67602 2.16424 19.98258 -0.002886 -0.005591 0.00171
C 0.73321 4.71084 19.96535 -0.002666 0.016081 -0.007048
C 1.47141 3.43754 19.96136 0.016842 -0.010442 -0.008607
C 2.93782 3.43754 19.97262 -0.017028 0.006002 -0.004271
C 3.67602 4.71084 19.97988 0.00401 -0.00208 -0.000141
C 0.73321 7.25743 19.98562 0.00712 -0.011195 0.003403
C 1.47141 5.98413 19.97535 -0.005191 -0.007639 -0.002284
C 2.93782 5.98413 19.98078 -0.002292 0.008097 0.000189
C 3.67602 7.25743 19.98651 -0.010565 -0.014821 0.004047
C 0.73321 9.80403 19.98665 -0.011209 0.006438 0.004005
C 1.47141 8.53073 19.98806 -0.004255 -0.00246 0.005122
C 2.93782 8.53073 19.98559 0.013228 0.016829 0.003227
C 3.67602 9.80403 19.97739 0.00225 -0.009398 -0.002061
C 0.73321 12.35062 19.98626 -0.006753 0.005109 0.003563
C 1.47141 11.07732 19.9854 0.018905 -0.003901 0.002938
C 2.93782 11.07732 19.97929 -0.012561 0.00243 -0.001269
C 3.67602 12.35062 19.97589 0.005294 -0.005624 -0.002843
C 0.73321 14.89722 19.98759 -8.8e-05 0.008976 0.005121
C 1.47141 13.62392 19.98854 -0.00217 -0.0103 0.005809
C 2.93782 13.62392 19.98553 0.009167 -0.002614 0.00356
C 3.67602 14.89722 19.98767 -0.005629 -0.003898 0.005048
C 5.14244 2.16424 19.98818 -0.009165 0.009573 0.005945
C 5.88064 0.89094 19.98883 0.000958 -0.003749 0.006703
C 7.34705 0.89094 19.98601 0.014009 0.019481 0.004551
C 8.08525 2.16424 19.97813 0.007309 -0.014102 -0.000816
C 5.14244 4.71084 19.98708 -0.013357 0.003027 0.005142
C 5.88064 3.43754 19.98779 0.001176 -0.00481 0.005052
C 7.34705 3.43754 19.98198 0.008808 0.00539 0.000368
C 8.08525 4.71084 19.97608 0.006804 -0.001275 -0.001909
C 5.14244 7.25743 19.98792 0.003244 0.010476 0.005389
C 5.88064 5.98413 19.98901 0.003598 -0.007588 0.006725
C 7.34705 5.98413 19.98593 0.009297 -0.007997 0.004221
C 8.08525 7.25743 19.98761 -0.009855 0.002748 0.00463
C 5.14244 9.80403 19.96968 -0.00509 0.002277 -0.005547
C 5.88064 8.53073 19.98185 -0.003676 0.006911 0.000793
C 7.34705 8.53073 19.98537 0.006189 0.001781 0.002617
C 8.08525 9.80403 19.98131 -0.002668 0.010071 0.000434
C 5.14244 12.35062 19.96619 -0.00496 0.006504 -0.007216
C 5.88064 11.07732 19.96137 -0.000884 -0.007298 -0.009128
C 7.34705 11.07732 19.97032 0.013211 0.001894 -0.00504
C 8.08525 12.35062 19.9797 -0.004554 -0.016437 -0.00101
C 5.14244 14.89722 19.9862 0.005436 -0.008094 0.004382
C 5.88064 13.62392 19.97667 0.001736 -0.010002 -0.001783
C 7.34705 13.62392 19.9814 -0.003212 0.011272 0.00032
C 8.08525 14.89722 19.98654 -0.010266 -0.016288 0.004409
C 7.96357 13.61749 28.13288 -0.003426 0.004294 -0.000875
C 8.74536 12.51675 27.97491 0.007393 -0.005494 0.001688
C 4.78428 12.52382 23.343 0.030997 -0.023996 -0.0002
C 8.50593 11.35825 28.78119 -0.000781 -0.001134 -0.002046
C 6.14146 12.08148 23.09013 -0.030956 -0.058041 -0.000157
C 0.5465 12.14211 26.65626 0.002493 0.005216 0.000218
C 8.30787 10.66953 24.28445 0.03214 0.006861 -0.00057
C 7.87384 13.82619 25.64546 -0.009994 0.017313 -0.000238
C 4.56138 13.62547 24.18112 -0.006412 0.03166 -0.001537
C 6.96472 13.89834 24.51801 0.010213 0.032072 0.00022
C 4.78431 10.193 23.34193 0.017373 0.021698 -0.000474
C 8.68847 12.7566 25.50417 0.006862 -0.020787 0.000395
C 7.21793 12.77254 23.66459 0.026841 0.013843 0.000275
C 3.58983 13.82623 27.63381 0.002562 0.000703 0.001284
C 2.77515 12.75663 27.77423 0.005012 -0.005789 -0.001868
C 7.21793 9.9442 23.6639 0.038314 -0.026323 -0.000103
C 4.49901 13.89822 28.76211 -0.010008 -0.004543 -0.001252
C 2.09867 12.14216 26.62189 -7.9e-05 0.001722 0.000146
C 6.14149 10.63534 23.08919 -0.026461 0.076089 -0.000277
C 8.30783 12.04711 24.2847 0.038454 -0.007506 0.000426
C 7.6042 14.48526 26.95231 0.00772 0.003273 0.001203
C 6.15204 14.69445 27.16299 -0.007859 -0.003735 0.000196
C 3.50018 13.61751 25.14654 -0.008064 0.014221 0.00124
C 4.56143 9.09137 24.18068 -0.005486 -0.03059 -0.001893
C 3.85964 14.48522 26.327 -0.009278 0.005109 -0.002188
C 5.67493 14.31407 24.76959 0.007037 0.018949 0.000557
C 5.31182 14.69436 26.11636 0.008155 -0.004966 -0.000616
C 5.67494 8.40269 24.76914 0.004952 -0.021949 0.001943
C 7.51236 11.35823 29.77537 0.000247 -0.000304 0.001014
C 2.71828 12.51681 25.30348 -0.013101 -0.003513 -0.002928
C 3.5546 1.45934 25.14617 0.002218 -0.01673 -0.00047
C 4.33655 2.55997 25.30323 0.012833 0.007253 -0.001644
C 0.3754 2.55303 29.93941 0.006148 -0.005194 -0.000136
C 4.09709 3.71854 24.49635 0.020673 -0.001351 -0.000889
C 1.7326 2.99539 30.19889 0.018283 -0.002922 -0.000767
C 4.95611 2.93458 26.62179 0.000158 -0.001635 0.000937
C 3.89896 4.40723 28.994 -0.001638 -0.000863 -0.001411
C 3.46493 1.25056 27.63361 -0.003751 -0.001272 0.000786
C 0.15246 1.45137 29.09854 0.011909 -0.002336 -0.000285
C 2.55577 1.17847 28.7619 0.008933 0.002913 -0.001527
C 0.37537 4.88384 29.93937 0.005466 0.005817 -0.000286
C 4.27964 2.32009 27.77413 -0.006305 0.005393 -0.002808
C 2.80903 2.30432 29.61588 0.007465 0.006396 -0.000794
C 7.99928 1.25049 25.6453 0.006492 -0.014475 0.001501
C 7.18471 2.32013 25.50428 -0.002026 0.016627 -0.000294
C 2.809 5.13257 29.61582 0.005772 -0.004801 -0.000991
C 0.09002 1.17854 24.51754 -0.01311 -0.016459 -0.000645
C 6.50825 2.93457 26.65639 -0.003344 -0.005109 -0.000549
C 1.73256 4.4415 30.19886 0.019454 0.005106 -0.000912
C 3.899 3.02965 28.99409 -0.001476 0.001511 -0.000433
C 3.19511 0.59159 26.32673 0.009125 -0.005256 -0.001421
C 1.74294 0.38246 26.11601 -0.009735 0.006261 -0.000789
C 7.90968 1.45927 28.13279 0.004121 -0.00473 0.000334
C 0.15244 5.98554 29.0985 0.011314 0.002743 -0.000428
C 8.26902 0.59149 26.95221 -0.00707 -0.003843 -0.00136
C 1.26596 0.76268 28.50967 -0.000485 0.004195 -0.000168
C 0.90274 0.38235 27.16267 0.008296 0.003714 0.000159
C 1.26593 6.6742 28.50962 -0.000584 -0.00446 -0.001362
C 3.10346 3.7186 23.50322 -0.002679 -0.001415 -0.001069
C 7.12784 2.55995 27.97505 -0.00845 0.005257 0.000286
C 3.50017 9.09912 25.14598 -0.002017 -0.014629 0.001422
C 2.71822 10.19976 25.30327 -0.016267 0.009213 -0.004024
C 6.67937 10.19281 29.93928 -0.006116 -0.005345 -0.000192
C 2.95768 11.35832 24.49668 -0.028172 -0.002944 0.002515
C 5.32217 10.63518 30.19889 -0.017983 -0.003056 -0.000757
C 2.09866 10.57437 26.62177 -0.000508 -0.002999 0.003115
C 3.15581 12.04702 28.99412 0.001765 -0.001834 -0.000449
C 3.58984 8.89034 27.63352 0.003106 -0.001883 0.001713
C 6.90231 9.09115 29.09838 -0.011431 -0.001414 0.000385
C 4.499 8.81826 28.76185 -0.009684 0.003423 -0.001739
C 6.6794 12.52363 29.93946 -0.004886 0.003992 -7.3e-05
C 2.77512 9.95988 27.7741 0.004779 0.005488 -0.003741
C 4.24574 9.94411 29.6158 -0.004933 0.005122 -0.000625
C 7.87395 8.89028 25.64499 -0.014046 -0.017284 -0.002005
C 8.68852 9.95992 25.50384 0.008669 0.021179 0.002929
C 4.24577 12.77236 29.61598 -0.007482 -0.004422 -0.000529
C 6.96474 8.81833 24.51742 0.008812 -0.026882 0.000625
C 0.54652 10.57436 26.65621 0.001302 -0.00642 -0.003366
C 5.3222 12.08129 30.19898 -0.017776 0.00253 -0.000537
C 3.15577 10.66944 28.99404 0.001505 0.002269 -0.000106
C 3.85966 8.23138 26.32661 -0.009042 -0.004311 -0.002193
C 5.31182 8.02224 26.11598 0.008382 0.008773 -0.008158
C 7.96355 9.09905 28.13263 -0.004195 -0.004584 -0.001402
C 6.90233 13.62533 29.09865 -0.009738 0.002222 0.000656
C 7.60421 8.23128 26.95198 0.006891 -0.002733 0.000844
C 5.78881 8.40247 28.50954 0.001908 0.003469 -0.002303
C 6.15203 8.02214 27.16251 -0.006162 0.003276 0.007223
C 5.78883 14.31399 28.50989 0.001112 -0.003191 -0.000128
C 3.9513 11.35839 23.50355 -0.000435 0.001114 -0.001981
C 8.74539 10.19974 27.97482 0.006523 0.0058 0.002712
C 7.90965 5.9777 28.13272 0.005061 0.004781 0.000303
C 7.12787 4.87696 27.97498 -0.009259 -0.006048 -0.000324
C 2.27049 4.88403 23.34057 -0.006603 -0.008398 -0.001009
C 7.3673 3.71846 28.78129 0.001379 0.000701 -0.000107
C 0.91331 4.4417 23.08711 0.013733 -0.039878 -0.000571
C 6.50827 4.50232 26.6563 -0.003267 0.004887 0.00102
C 7.56536 3.02974 24.28473 -0.027597 0.003793 0.000158
C 7.99939 6.1864 25.64525 0.006926 0.014513 0.001693
C 2.49339 5.98568 24.18038 -0.007381 0.018112 -0.000837
C 0.09005 6.25855 24.51738 -0.01679 0.005199 -0.001006
C 2.27045 2.55321 23.34152 -0.013362 0.005011 -0.000755
C 7.18476 5.11681 25.50421 -0.000281 -0.017558 -0.001265
C 8.6553 5.13276 23.66421 -0.032085 0.020862 -0.0002
C 3.46493 6.18645 27.63359 -0.003868 0.000864 -0.0018
C 4.27962 5.11685 27.77404 -0.006423 -0.006334 -0.0003
C 8.6553 2.30441 23.66451 -0.02459 -0.007093 -3.3e-05
C 2.55576 6.25844 28.76185 0.00903 -0.003174 -0.000705
C 4.9561 4.50237 26.62177 0.000294 0.002281 -0.002095
C 0.91328 2.99555 23.08789 0.016161 0.031755 -0.000422
C 7.56539 4.40733 24.28459 -0.024934 -0.001154 0.000239
C 8.26903 6.84548 26.95212 -0.007789 0.004636 -0.002215
C 0.90273 7.05466 27.16263 0.008743 -0.003425 0.002977
C 3.55459 5.97772 25.14597 -0.001545 0.015032 -0.001354
C 2.49334 1.45158 24.18071 -0.004273 -0.014538 -0.000771
C 3.19513 6.84544 26.32659 0.0079 0.00326 0.000407
C 1.37984 6.67429 24.76901 0.0129 0.021212 0.000267
C 1.74295 7.05457 26.11599 -0.01016 -0.007581 -0.004186
C 1.37983 0.76291 24.7692 0.003278 -0.020945 -0.00013
C 8.36087 3.71844 29.77547 -0.00079 0.000555 0.00013
C 4.33649 4.87702 25.30315 0.015431 -0.007558 -0.000755
168
energy=-1515.04649168 config_type=nep2xyz pbc="T T T" virial="-38.23564107156151 -0.08489847554807042 -0.008452002766301215 -0.08489847554807042 -43.47512589089815 0.004961872270763898 -0.008452002766301215 0.004961872270763898 -4.992526549453617" 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 19.96951 -0.001819 -8.4e-05 -0.005147
C 1.47141 0.89094 19.98119 -0.006187 0.012226 0.000665
C 2.93782 0.89094 19.98478 0.002704 0.008828 0.002794
C 3.67602 2.16424 19.98133 -0.004087 -0.000971 0.00085
C 0.73321 4.71084 19.96548 -0.005146 0.018485 -0.007145
C 1.47141 3.43754 19.96049 0.015618 -0.010777 -0.00919
C 2.93782 3.43754 19.97049 -0.010995 0.005127 -0.005431
C 3.67602 4.71084 19.97852 0.001128 -0.005531 -0.001062
C 0.73321 7.25743 19.98538 0.007603 -0.012774 0.002914
C 1.47141 5.98413 19.9751 -0.007539 -0.007811 -0.002633
C 2.93782 5.98413 19.97998 -0.002204 0.008604 -0.000323
C 3.67602 7.25743 19.98655 -0.010782 -0.015387 0.00424
C 0.73321 9.80403 19.98556 -0.015039 0.004785 0.003261
C 1.47141 8.53073 19.98785 -0.00435 -0.001295 0.004858
C 2.93782 8.53073 19.98632 0.010983 0.014173 0.003853
C 3.67602 9.80403 19.97944 0.003966 -0.005888 -0.000553
C 0.73321 12.35062 19.98515 -0.010749 0.004447 0.002761
C 1.47141 11.07732 19.98533 0.017294 -0.002643 0.002839
C 2.93782 11.07732 19.98127 -0.010349 0.002161 0.000113
C 3.67602 12.35062 19.9782 0.005349 -0.006023 -0.001289
C 0.73321 14.89722 19.98739 -0.000508 0.007318 0.004668
C 1.47141 13.62392 19.98846 -0.00312 -0.009144 0.005705
C 2.93782 13.62392 19.98653 0.00697 -0.003846 0.004333
C 3.67602 14.89722 19.98795 -0.004942 -0.000136 0.005447
C 5.14244 2.16424 19.98773 -0.009831 0.006814 0.005622
C 5.88064 0.89094 19.98886 -0.00139 -0.003242 0.00671
C 7.34705 0.89094 19.98642 0.01393 0.01739 0.004596
C 8.08525 2.16424 19.97913 0.010715 -0.012459 -0.000445
C 5.14244 4.71084 19.98667 -0.011694 0.003341 0.00475
C 5.88064 3.43754 19.98786 0.0011 -0.002961 0.004996
C 7.34705 3.43754 19.98303 0.006483 0.002977 0.00087
C 8.08525 4.71084 19.97751 0.013368 -0.000929 -0.001526
C 5.14244 7.25743 19.98815 0.004845 0.00999 0.005656
C 5.88064 5.98413 19.98922 0.000375 -0.006983 0.006796
C 7.34705 5.98413 19.98671 0.008931 -0.007077 0.004336
C 8.08525 7.25743 19.98752 -0.006976 0.003379 0.004322
C 5.14244 9.80403 19.97151 -0.00793 0.007419 -0.00449
C 5.88064 8.53073 19.98227 -0.001143 0.00272 0.00116
C 7.34705 8.53073 19.98453 0.005574 0.00537 0.002022
C 8.08525 9.80403 19.9789 -0.00074 0.011289 -0.000766
C 5.14244 12.35062 19.96832 -0.004419 -0.001768 -0.006213
C 5.88064 11.07732 19.96196 -0.006676 -0.00318 -0.008851
C 7.34705 11.07732 19.96771 0.017942 -0.000132 -0.006081
C 8.08525 12.35062 19.97707 -0.001451 -0.015774 -0.002274
C 5.14244 14.89722 19.98644 0.007375 -0.008921 0.004767
C 5.88064 13.62392 19.97718 0.003952 -0.004847 -0.001562
C 7.34705 13.62392 19.98026 -0.002969 0.006077 -0.000413
C 8.08525 14.89722 19.98621 -0.007944 -0.014259 0.003922
C 8.18404 13.61749 28.13292 -0.003691 0.004522 -0.000266
C 0.14736 12.51675 27.97501 0.008312 -0.005527 0.001151
C 5.00474 12.52382 23.34254 0.033666 -0.022428 -0.000179
C 8.72639 11.35825 28.78127 -0.000773 -0.001147 -0.001564
C 6.36192 12.08148 23.09006 -0.028033 -0.059797 -0.00011
C 0.76696 12.14211 26.65635 0.003432 0.0049 0.00108
C 8.52833 10.66953 24.28461 0.029703 0.00648 -0.000467
C 8.0943 13.82619 25.64555 -0.008241 0.016541 0.001509
C 4.78184 13.62547 24.18096 -0.004872 0.032685 -0.001872
C 7.18518 13.89834 24.51806 0.013672 0.029905 -0.000562
C 5.00478 10.193 23.34161 0.017786 0.016941 -0.000422
C 0.09047 12.7566 25.50435 0.005837 -0.018809 -0.000619
C 7.43839 12.77254 23.66489 0.022044 0.01143 0.000368
C 3.8103 13.82623 27.63374 0.002575 0.000422 0.001235
C 2.99561 12.75663 27.77415 0.005696 -0.006019 -0.001725
C 7.43839 9.9442 23.66418 0.033199 -0.022308 3e-06
C 4.71947 13.89822 28.76205 -0.009892 -0.004665 -0.001346
C 2.31913 12.14216 26.62181 0.000329 0.00132 -0.00014
C 6.36195 10.63534 23.0892 -0.022205 0.078861 -0.000241
C 8.5283 12.04711 24.28484 0.037224 -0.005898 0.000695
C 7.82466 14.48526 26.95237 0.008314 0.00391 -0.000419
C 6.3725 14.69445 27.16293 -0.00755 -0.004446 0.003695
C 3.72064 13.61751 25.14639 -0.00595 0.01378 0.001391
C 4.78189 9.09137 24.18058 -0.005211 -0.029183 -0.002143
C 4.0801 14.48522 26.32691 -0.009368 0.005094 -0.001823
C 5.89539 14.31407 24.76951 0.00146 0.017032 0.001736
C 5.53228 14.69436 26.11636 0.007076 -0.005071 -0.004175
C 5.8954 8.40269 24.76914 0.003357 -0.020122 0.001992
C 7.73282 11.35823 29.77543 0.000259 -0.000229 0.000929
C 2.93874 12.51681 25.30333 -0.014337 -0.005382 -0.003069
C 3.77506 1.45934 25.14614 0.000997 -0.01509 -0.001322
C 4.55701 2.55997 25.3032 0.014015 0.006302 -0.000586
C 0.59586 2.55303 29.93944 0.006431 -0.005481 -3.1e-05
C 4.31755 3.71854 24.4963 0.015733 -0.002422 -0.002356
C 1.95306 2.99539 30.1989 0.018607 -0.002989 -0.00073
C 5.17657 2.93458 26.6218 0.00025 -0.001615 0.000601
C 4.11943 4.40723 28.99402 -0.001713 -0.000982 -0.001493
C 3.68539 1.25056 27.6336 -0.003664 -0.001656 0.000251
C 0.37292 1.45137 29.09856 0.012388 -0.002547 -0.00028
C 2.77623 1.17847 28.76189 0.009071 0.002981 -0.001325
C 0.59583 4.88384 29.93941 0.005638 0.005922 -0.00015
C 4.50011 2.32009 27.77412 -0.006855 0.005348 -0.002438
C 3.02949 2.30432 29.61587 0.0071 0.006221 -0.000778
C 8.21974 1.25049 25.64534 0.007229 -0.01542 0.000845
C 7.40518 2.32013 25.50441 -0.002966 0.016742 0.000287
C 3.02946 5.13257 29.61584 0.005849 -0.004788 -0.000945
C 0.31049 1.17854 24.51753 -0.015169 -0.017497 -0.000217
C 6.72872 2.93457 26.6565 -0.00391 -0.004883 -0.000855
C 1.95303 4.4415 30.19888 0.019625 0.004899 -0.000848
C 4.11946 3.02965 28.99408 -0.001518 0.001632 -0.000488
C 3.41557 0.59159 26.32669 0.008969 -0.005163 -0.000727
C 1.96341 0.38246 26.11599 -0.010482 0.006675 -0.000685
C 8.13014 1.45927 28.13283 0.004171 -0.004806 0.000332
C 0.3729 5.98554 29.09855 0.011697 0.002996 -0.000473
C 8.48948 0.59149 26.95224 -0.007024 -0.003793 -0.000623
C 1.48642 0.76268 28.50965 -0.000567 0.004487 -3.5e-05
C 1.1232 0.38235 27.16267 0.009095 0.003358 -3.2e-05
C 1.4864 6.6742 28.50964 -0.000407 -0.004675 -0.001113
C 3.32393 3.7186 23.50328 0.002146 -0.002029 -0.000482
C 7.3483 2.55995 27.97513 -0.008861 0.005319 0.00039
C 3.72063 9.09912 25.14584 0.00128 -0.016115 0.001773
C 2.93868 10.19976 25.30311 -0.018246 0.013269 -0.004327
C 6.89983 10.19281 29.93933 -0.006335 -0.005511 -0.000177
C 3.17814 11.35832 24.49642 -0.02386 -0.003766 0.002712
C 5.54263 10.63518 30.19886 -0.018585 -0.003393 -0.000758
C 2.31912 10.57437 26.62168 0.000134 -0.002709 0.003115
C 3.37627 12.04702 28.99406 0.001864 -0.001834 -0.000615
C 3.8103 8.89034 27.63346 0.003288 -0.001402 0.002114
C 7.12277 9.09115 29.09842 -0.012044 -0.001688 0.000417
C 4.71946 8.81826 28.76181 -0.009941 0.003633 -0.001911
C 6.89986 12.52363 29.93948 -0.005089 0.004219 1e-06
C 2.99559 9.95988 27.77403 0.005477 0.005796 -0.004034
C 4.4662 9.94411 29.61576 -0.005315 0.005451 -0.000705
C 8.09441 8.89028 25.6451 -0.012336 -0.016151 -0.001318
C 0.09052 9.95992 25.50402 0.008401 0.018806 0.00261
C 4.46623 12.77236 29.61594 -0.007691 -0.004828 -0.000571
C 7.18521 8.81833 24.51748 0.010317 -0.027527 0.000298
C 0.76698 10.57436 26.65631 0.00217 -0.006093 -0.003125
C 5.54267 12.08129 30.19895 -0.018443 0.003014 -0.000578
C 3.37623 10.66944 28.99398 0.001592 0.002332 -0.000111
C 4.08012 8.23138 26.32656 -0.009242 -0.00445 -0.002803
C 5.53229 8.02224 26.11597 0.008398 0.008592 -0.007507
C 8.18401 9.09905 28.1327 -0.004129 -0.004663 -0.00133
C 7.12279 13.62533 29.09867 -0.010441 0.002579 0.000456
C 7.82467 8.23128 26.95206 0.006918 -0.002779 0.000574
C 6.00927 8.40247 28.50955 0.001876 0.003357 -0.002112
C 6.37249 8.02214 27.16253 -0.006851 0.003272 0.006587
C 6.0093 14.31399 28.50989 0.001076 -0.002898 -0.000894
C 4.17177 11.35839 23.50304 -0.008622 0.000197 -0.002115
C 0.14739 10.19974 27.97491 0.007313 0.005771 0.002507
C 8.13012 5.9777 28.13279 0.005077 0.004956 0.000622
C 7.34833 4.87696 27.97508 -0.009826 -0.006019 -0.000659
C 2.49095 4.88403 23.34046 -0.009532 -0.007073 -0.001096
C 7.58776 3.71846 28.78137 0.001279 0.000514 0.000163
C 1.13377 4.4417 23.08758 0.015128 -0.038519 -0.000512
C 6.72873 4.50232 26.65641 -0.004011 0.004501 0.001955
C 7.78582 3.02974 24.28501 -0.026215 0.007836 8.2e-05
C 8.21985 6.1864 25.64534 0.00697 0.015663 0.002122
C 2.71385 5.98568 24.18038 -0.009639 0.022014 -0.000266
C 0.31051 6.25855 24.51746 -0.020516 0.005914 -0.000948
C 2.49092 2.55321 23.34124 -0.011177 0.000922 -0.000907
C 7.40522 5.11681 25.5044 -0.000422 -0.017807 -0.001774
C 0.0573 5.13276 23.66451 -0.029585 0.019655 -0.000127
C 3.6854 6.18645 27.63362 -0.003627 0.001288 -0.002283
C 4.50008 5.11685 27.77405 -0.006999 -0.006166 0.000257
C 0.0573 2.30441 23.66466 -0.024659 -0.008065 -8e-06
C 2.77622 6.25844 28.76187 0.008913 -0.00334 -0.000492
C 5.17656 4.50237 26.62181 0.000458 0.001904 -0.002925
C 1.13374 2.99555 23.08816 0.015326 0.034618 -0.000396
C 7.78586 4.40733 24.28491 -0.026213 -0.004465 0.00055
C 8.48949 6.84548 26.95219 -0.008168 0.005149 -0.002268
C 1.12319 7.05466 27.16265 0.00955 -0.003605 0.002756
C 3.77505 5.97772 25.14604 -0.000106 0.011805 -0.002149
C 2.7138 1.45158 24.18065 -0.005845 -0.016448 -0.000148
C 3.41559 6.84544 26.3266 0.007726 0.003404 0.001095
C 1.6003 6.67429 24.769 0.018042 0.020307 -8.5e-05
C 1.96341 7.05457 26.11599 -0.010525 -0.007305 -0.003743
C 1.60029 0.76291 24.76917 0.006399 -0.020797 -0.00038
C 8.58133 3.71844 29.77553 -0.000703 0.00051 0.000161
C 4.55695 4.87702 25.30318 0.015048 -0.00375 0.000466
168
energy=-1515.04553825 config_type=nep2xyz pbc="T T T" virial="-38.25868434278506 -0.05378164944327987 -0.005382369920828635 -0.05378164944327987 -43.47760682703353 0.005844917335899845 -0.005382369920828635 0.005844917335899845 -4.971039119535309" 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 19.96997 -0.002878 -0.001193 -0.005392
C 1.47141 0.89094 19.98122 -0.00558 0.014246 0.000418
C 2.93782 0.89094 19.98426 0.001613 0.005922 0.002578
C 3.67602 2.16424 19.98003 -0.004093 0.005138 -5.9e-05
C 0.73321 4.71084 19.96619 -0.007142 0.017084 -0.007402
C 1.47141 3.43754 19.96038 0.010888 -0.010086 -0.009943
C 2.93782 3.43754 19.96859 -0.003265 0.004267 -0.006579
C 3.67602 4.71084 19.97724 -0.001436 -0.009752 -0.002008
C 0.73321 7.25743 19.98517 0.007232 -0.013556 0.002743
C 1.47141 5.98413 19.97528 -0.008032 -0.008007 -0.003023
C 2.93782 5.98413 19.97937 -0.002959 0.008928 -0.000751
C 3.67602 7.25743 19.98654 -0.010669 -0.015261 0.004698
C 0.73321 9.80403 19.98436 -0.017852 0.002711 0.00244
C 1.47141 8.53073 19.98756 -0.005014 0.000713 0.004805
C 2.93782 8.53073 19.98695 0.008655 0.011204 0.004752
C 3.67602 9.80403 19.98146 0.005674 -0.002846 0.000806
C 0.73321 12.35062 19.98388 -0.015002 0.003174 0.001901
C 1.47141 11.07732 19.98513 0.014587 -0.001793 0.002745
C 2.93782 11.07732 19.98312 -0.007597 0.001752 0.001413
C 3.67602 12.35062 19.98039 0.005313 -0.005335 0.000102
C 0.73321 14.89722 19.98714 -0.000765 0.005301 0.004433
C 1.47141 13.62392 19.98823 -0.003989 -0.007432 0.005581
C 2.93782 13.62392 19.98734 0.005179 -0.005329 0.005231
C 3.67602 14.89722 19.98809 -0.004543 0.003312 0.005916
C 5.14244 2.16424 19.987 -0.009993 0.004217 0.00513
C 5.88064 0.89094 19.98865 -0.002998 -0.001408 0.006873
C 7.34705 0.89094 19.98665 0.012656 0.014245 0.004751
C 8.08525 2.16424 19.98009 0.013931 -0.009516 -0.0002
C 5.14244 4.71084 19.98598 -0.009663 0.002648 0.004407
C 5.88064 3.43754 19.98754 0.001436 -0.001104 0.004799
C 7.34705 3.43754 19.98373 0.002761 0.000652 0.001223
C 8.08525 4.71084 19.97883 0.018337 -0.00033 -0.001233
C 5.14244 7.25743 19.98823 0.005694 0.009206 0.00612
C 5.88064 5.98413 19.98914 -0.001906 -0.006552 0.007019
C 7.34705 5.98413 19.98716 0.007996 -0.006232 0.004631
C 8.08525 7.25743 19.98728 -0.00403 0.003392 0.004132
C 5.14244 9.80403 19.97352 -0.007777 0.011794 -0.003695
C 5.88064 8.53073 19.98266 0.000707 3e-05 0.001396
C 7.34705 8.53073 19.98358 0.004865 0.009135 0.001413
C 8.08525 9.80403 19.97645 0.001484 0.010212 -0.00214
C 5.14244 12.35062 19.97061 -0.002424 -0.009179 -0.005697
C 5.88064 11.07732 19.96292 -0.010556 0.000159 -0.008743
C 7.34705 11.07732 19.9654 0.017496 -0.002773 -0.007637
C 8.08525 12.35062 19.97434 0.00235 -0.011119 -0.00394
C 5.14244 14.89722 19.98653 0.008886 -0.010694 0.005181
C 5.88064 13.62392 19.97771 0.005207 0.00045 -0.001463
C 7.34705 13.62392 19.97905 -0.001614 0.000609 -0.001202
C 8.08525 14.89722 19.9858 -0.006221 -0.012837 0.003613
C 8.4045 13.61749 28.13294 -0.004603 0.004921 0.001784
C 0.36782 12.51675 27.97514 0.009694 -0.005265 -0.001918
C 5.2252 12.52382 23.34201 0.034117 -0.02019 -0.001624
C 0.12839 11.35825 28.78128 -0.00315 -0.000718 0.004379
C 6.58239 12.08148 23.08984 -0.024886 -0.059505 -0.00013
C 0.98742 12.14211 26.65647 0.00427 0.004701 -0.000136
C 8.74879 10.66953 24.28481 0.027284 0.005783 0.000921
C 8.31477 13.82619 25.64569 -0.00752 0.014828 -0.002192
C 5.00231 13.62547 24.18074 -0.003238 0.035019 0.00313
C 7.40564 13.89834 24.51801 0.018129 0.027448 0.002485
C 5.22524 10.193 23.34128 0.017292 0.011873 -0.00163
C 0.31093 12.7566 25.50448 0.005407 -0.016724 0.002021
C 7.65885 12.77254 23.66515 0.018829 0.009422 -0.000191
C 4.03076 13.82623 27.63377 0.00234 0.001941 -0.004424
C 3.21607 12.75663 27.77407 0.006727 -0.006301 0.000701
C 7.65886 9.9442 23.66449 0.028687 -0.017669 1.7e-05
C 4.93994 13.89822 28.76198 -0.009141 -0.005149 0.000964
C 2.53959 12.14216 26.6218 0.000397 0.000973 -0.002201
C 6.58241 10.63534 23.08914 -0.017953 0.07759 -0.000234
C 8.74876 12.04711 24.28503 0.034448 -0.004724 3.3e-05
C 8.04512 14.48526 26.9524 0.008582 0.004638 0.000167
C 6.59296 14.69445 27.1629 -0.008954 -0.004585 0.003462
C 3.9411 13.61751 25.14637 -0.002098 0.011668 -0.00498
C 5.00235 9.09137 24.18044 -0.004687 -0.029112 0.002363
C 4.30057 14.48522 26.32677 -0.009717 0.005094 0.003589
C 6.11585 14.31407 24.76948 -0.004717 0.013619 -0.002439
C 5.75275 14.69436 26.11628 0.007509 -0.004866 -0.002091
C 6.11586 8.40269 24.7692 0.000693 -0.017205 -0.001791
C 7.95328 11.35823 29.77554 0.001704 -3.6e-05 -0.001151
C 3.1592 12.51681 25.30315 -0.017316 -0.005207 0.003502
C 3.99552 1.45934 25.14602 0.000533 -0.013784 0.001889
C 4.77747 2.55997 25.30321 0.014366 0.00775 -0.004461
C 0.81632 2.55303 29.93946 0.006535 -0.005509 0.000202
C 4.53801 3.71854 24.49611 0.014775 -0.003106 0.005722
C 2.17352 2.99539 30.1989 0.018949 -0.00328 -0.000694
C 5.39703 2.93458 26.62182 0.000489 -0.001317 -0.001872
C 4.33989 4.40723 28.99403 -0.001962 -0.001255 -0.001029
C 3.90585 1.25056 27.63364 -0.002941 -0.00289 -0.004103
C 0.59338 1.45137 29.09858 0.012679 -0.002632 -0.000214
C 2.99669 1.17847 28.76184 0.008693 0.003831 0.001266
C 0.8163 4.88384 29.93946 0.005705 0.005643 0.000218
C 4.72057 2.32009 27.77405 -0.008094 0.006048 0.001632
C 3.24995 2.30432 29.61587 0.006865 0.005941 -0.00117
C 8.4402 1.25049 25.64542 0.007995 -0.015242 -0.001863
C 7.62564 2.32013 25.50451 -0.004019 0.016241 0.001262
C 3.24992 5.13257 29.61588 0.006129 -0.004754 -0.001092
C 0.53095 1.17854 24.51752 -0.017032 -0.019214 0.001072
C 6.94918 2.93457 26.65657 -0.004175 -0.004529 0.000819
C 2.17349 4.4415 30.1989 0.019842 0.004835 -0.00087
C 4.33993 3.02965 28.99409 -0.001084 0.001465 -0.001753
C 3.63604 0.59159 26.32665 0.009087 -0.005076 -0.00025
C 2.18387 0.38246 26.116 -0.009691 0.007223 -0.003412
C 8.35061 1.45927 28.13286 0.004592 -0.005042 0.000803
C 0.59336 5.98554 29.09861 0.011855 0.003272 -0.000528
C 8.70994 0.59149 26.95225 -0.007022 -0.003691 0.000599
C 1.70688 0.76268 28.50968 -0.001062 0.003728 -0.002435
C 1.34366 0.38235 27.16262 0.008765 0.003454 0.004088
C 1.70686 6.6742 28.50971 -0.000552 -0.004251 -0.002048
C 3.54439 3.7186 23.50323 0.007151 -0.00236 -0.003744
C 7.56876 2.55995 27.97521 -0.009667 0.004974 -0.001372
C 3.9411 9.09912 25.14587 0.005593 -0.015544 -0.005103
C 3.15914 10.19976 25.3029 -0.022109 0.014299 0.004316
C 7.12029 10.19281 29.93937 -0.006391 -0.005217 0.000316
C 3.3986 11.35832 24.49634 -0.013702 -0.004234 -0.007149
C 5.76309 10.63518 30.19886 -0.019254 -0.003682 -0.000774
C 2.53958 10.57437 26.62175 0.00019 -0.001713 -0.005522
C 3.59673 12.04702 28.99404 0.001782 -0.001901 -0.001096
C 4.03077 8.89034 27.63354 0.003025 -0.003361 -0.005643
C 7.34324 9.09115 29.0985 -0.011904 -0.002543 -0.00126
C 4.93993 8.81826 28.76176 -0.0094 0.004469 0.001106
C 7.12032 12.52363 29.93951 -0.005194 0.004117 0.000486
C 3.21605 9.95988 27.77391 0.007665 0.006324 0.002945
C 4.68667 9.94411 29.61577 -0.005613 0.005601 -0.001042
C 8.31487 8.89028 25.6452 -0.010774 -0.016268 0.002071
C 0.31098 9.95992 25.50427 0.006944 0.017067 -0.001737
C 4.68669 12.77236 29.61592 -0.007608 -0.004957 -0.000873
C 7.40567 8.81833 24.51755 0.012385 -0.027159 0.000212
C 0.98744 10.57436 26.65635 0.003423 -0.005179 0.003841
C 5.76313 12.08129 30.19894 -0.01927 0.003596 -0.000663
C 3.59669 10.66944 28.99399 0.000938 0.001989 -0.001949
C 4.30058 8.23138 26.32646 -0.009676 -0.004721 0.003935
C 5.75275 8.02224 26.11593 0.009468 0.00798 -0.002837
C 8.40447 9.09905 28.13272 -0.005108 -0.004426 0.002814
C 7.34326 13.62533 29.09871 -0.01056 0.003275 -0.000785
C 8.04513 8.23128 26.9522 0.006927 -0.002849 -0.003255
C 6.22973 8.40247 28.50959 0.001753 0.003317 -0.00178
C 6.59295 8.02214 27.16258 -0.008837 0.003018 0.00372
C 6.22976 14.31399 28.50989 0.001095 -0.002677 -0.001653
C 4.39223 11.35839 23.50265 -0.019078 -0.000717 0.001416
C 0.36786 10.19974 27.9751 0.009654 0.005208 -0.003363
C 8.35058 5.9777 28.13287 0.005166 0.005434 0.000126
C 7.5688 4.87696 27.97517 -0.010067 -0.005641 -0.000481
C 2.71142 4.88403 23.34045 -0.014333 -0.005673 -0.000164
C 7.80823 3.71846 28.7814 0.002374 0.000391 0.002893
C 1.35423 4.4417 23.08809 0.016986 -0.040183 -0.000396
C 6.94919 4.50232 26.65657 -0.004355 0.00446 -0.001943
C 8.00628 3.02974 24.28521 -0.024424 0.009368 4e-05
C 8.44031 6.1864 25.64555 0.00715 0.014656 -0.003676
C 2.93431 5.98568 24.18045 -0.011089 0.024401 -0.00303
C 0.53097 6.25855 24.51756 -0.023913 0.008701 0.001408
C 2.71138 2.55321 23.34099 -0.010591 -0.002577 -0.000108
C 7.62568 5.11681 25.50451 -0.001866 -0.017087 0.003115
C 0.27777 5.13276 23.66486 -0.026459 0.016873 -6.7e-05
C 3.90586 6.18645 27.63366 -0.002971 0.001541 -0.002686
C 4.72054 5.11685 27.77409 -0.006829 -0.006362 -0.000929
C 0.27776 2.30441 23.6648 -0.024547 -0.008557 4.2e-05
C 2.99668 6.25844 28.76188 0.008603 -0.003766 0.000436
C 5.39703 4.50237 26.62177 0.000523 0.001762 0.001634
C 1.35421 2.99555 23.08841 0.014812 0.041264 -0.000325
C 8.00632 4.40733 24.28517 -0.026455 -0.005956 -0.000562
C 8.70995 6.84548 26.95222 -0.008439 0.005619 0.002208
C 1.34365 7.05466 27.16268 0.0095 -0.003983 0.004176
C 3.99551 5.97772 25.14605 0.002235 0.009539 0.002229
C 2.93426 1.45158 24.18062 -0.007074 -0.017472 -0.002608
C 3.63605 6.84544 26.32666 0.00782 0.003726 -0.000962
C 1.82076 6.67429 24.76903 0.020874 0.01875 0.00098
C 2.18387 7.05457 26.11606 -0.009739 -0.006955 -0.004858
C 1.82075 0.76291 24.76915 0.008224 -0.019993 0.0003
C 8.80179 3.71844 29.7756 -0.001368 0.000448 -0.000896
C 4.77741 4.87702 25.30329 0.013104 -0.002739 -0.005779
168
energy=-1515.04479896 config_type=nep2xyz pbc="T T T" virial="-38.27941487693325 -0.024010415818696486 -0.0030275830804661072 -0.024010415818696486 -43.48576448144479 0.006181315455951635 -0.0030275830804661072 0.006181315455951635 -4.951528028572305" 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 19.97085 -0.003839 -0.000188 -0.004947
C 1.47141 0.89094 19.98148 -0.004686 0.015347 0.000339
C 2.93782 0.89094 19.98384 9.5e-05 0.00283 0.002184
C 3.67602 2.16424 19.97868 -0.002222 0.010709 -0.000825
C 0.73321 4.71084 19.9674 -0.008087 0.01221 -0.007036
C 1.47141 3.43754 19.96075 0.00374 -0.008842 -0.009802
C 2.93782 3.43754 19.96682 0.003971 0.003486 -0.007262
C 3.67602 4.71084 19.9759 -0.002615 -0.013307 -0.002778
C 0.73321 7.25743 19.98512 0.006206 -0.013537 0.002653
C 1.47141 5.98413 19.9758 -0.006604 -0.007863 -0.002921
C 2.93782 5.98413 19.9789 -0.00403 0.008717 -0.000971
C 3.67602 7.25743 19.98659 -0.010266 -0.014814 0.004977
C 0.73321 9.80403 19.98319 -0.019104 0.000345 0.001496
C 1.47141 8.53073 19.98733 -0.006087 0.003576 0.004654
C 2.93782 8.53073 19.98755 0.006577 0.008032 0.005449
C 3.67602 9.80403 19.9833 0.007193 -0.000407 0.002181
C 0.73321 12.35062 19.98259 -0.018939 0.002044 0.000965
C 1.47141 11.07732 19.98489 0.010909 -0.001661 0.002363
C 2.93782 11.07732 19.98474 -0.005307 0.001246 0.002531
C 3.67602 12.35062 19.98232 0.005632 -0.003438 0.001472
C 0.73321 14.89722 19.98702 -0.000955 0.003611 0.004109
C 1.47141 13.62392 19.98804 -0.00492 -0.005933 0.005223
C 2.93782 13.62392 19.98806 0.004209 -0.006261 0.005909
C 3.67602 14.89722 19.98825 -0.004426 0.005816 0.006176
C 5.14244 2.16424 19.98609 -0.009419 0.002351 0.0045
C 5.88064 0.89094 19.98842 -0.00401 0.001494 0.006639
C 7.34705 0.89094 19.98689 0.010422 0.010651 0.004676
C 8.08525 2.16424 19.98106 0.016782 -0.005868 0.000243
C 5.14244 4.71084 19.9851 -0.007947 0.001196 0.003649
C 5.88064 3.43754 19.98697 0.002389 0.000182 0.004383
C 7.34705 3.43754 19.98423 -0.001671 -0.001051 0.001593
C 8.08525 4.71084 19.98007 0.021086 0.000436 -0.000673
C 5.14244 7.25743 19.98832 0.005465 0.008281 0.006259
C 5.88064 5.98413 19.98897 -0.003172 -0.006555 0.006836
C 7.34705 5.98413 19.98753 0.006941 -0.005552 0.004873
C 8.08525 7.25743 19.98711 -0.001385 0.0031 0.003923
C 5.14244 9.80403 19.97543 -0.005321 0.014181 -0.002791
C 5.88064 8.53073 19.98306 0.00161 -0.000662 0.001614
C 7.34705 8.53073 19.98272 0.004178 0.012559 0.000831
C 8.08525 9.80403 19.97416 0.002943 0.007134 -0.00348
C 5.14244 12.35062 19.97264 0.000146 -0.013509 -0.004544
C 5.88064 11.07732 19.96398 -0.011351 0.002105 -0.008369
C 7.34705 11.07732 19.96333 0.012513 -0.005233 -0.008552
C 8.08525 12.35062 19.97162 0.005667 -0.003723 -0.005141
C 5.14244 14.89722 19.98662 0.009593 -0.012621 0.005267
C 5.88064 13.62392 19.97814 0.005434 0.004748 -0.001364
C 7.34705 13.62392 19.97781 0.000845 -0.004016 -0.001971
C 8.08525 14.89722 19.98546 -0.005179 -0.012323 0.00306
C 8.62496 13.61749 28.13298 -0.004688 0.005333 0.001205
C 0.58828 12.51675 27.97521 0.01002 -0.00537 -0.001316
C 5.44566 12.52382 23.34145 0.031575 -0.015292 -0.001285
C 0.34885 11.35825 28.78137 -0.003033 -0.000404 0.004429
C 6.80285 12.08148 23.0895 -0.022363 -0.056155 -0.000163
C 1.20789 12.14211 26.65659 0.004791 0.004459 -0.001738
C 0.1508 10.66953 24.28504 0.02475 0.00627 0.000816
C 8.53523 13.82619 25.64577 -0.007047 0.013952 -0.004481
C 5.22277 13.62547 24.18062 0.001099 0.033715 0.001951
C 7.62611 13.89834 24.51795 0.022119 0.022949 0.003334
C 5.4457 10.193 23.34099 0.015687 0.005288 -0.001239
C 0.53139 12.7566 25.50458 0.004714 -0.015799 0.003755
C 7.87931 12.77254 23.6653 0.018139 0.009058 -0.000288
C 4.25122 13.82623 27.63373 0.002416 0.001917 -0.004611
C 3.43653 12.75663 27.77405 0.007125 -0.006433 0.000233
C 7.87932 9.9442 23.66474 0.025708 -0.013586 1.9e-05
C 5.1604 13.89822 28.76194 -0.008938 -0.004991 0.001213
C 2.76005 12.14216 26.62176 0.000286 0.000869 -0.000849
C 6.80287 10.63534 23.089 -0.015112 0.0714 -0.000233
C 0.15076 12.04711 24.28521 0.031398 -0.004364 -0.000373
C 8.26558 14.48526 26.9524 0.008812 0.005299 0.001851
C 6.81342 14.69445 27.16285 -0.009724 -0.004574 0.003307
C 4.16157 13.61751 25.14626 -0.001531 0.009995 -0.003445
C 5.22281 9.09137 24.18042 -0.001363 -0.026323 0.00128
C 4.52103 14.48522 26.32672 -0.009329 0.004937 0.002901
C 6.33631 14.31407 24.76937 -0.011369 0.012908 -0.002515
C 5.97321 14.69436 26.11622 0.008043 -0.005027 -0.001807
C 6.33632 8.40269 24.7692 -0.002929 -0.016406 -0.001947
C 8.17374 11.35823 29.7756 0.001686 9.9e-05 -0.001211
C 3.37966 12.51681 25.30314 -0.016812 -0.004672 0.001184
C 4.21598 1.45934 25.14592 -0.001544 -0.013551 0.001602
C 4.99793 2.55997 25.30312 0.016336 0.009867 -0.00409
C 1.03678 2.55303 29.93947 0.006654 -0.005649 0.000249
C 4.75847 3.71854 24.49602 0.011507 -0.003784 0.005446
C 2.39398 2.99539 30.19889 0.019281 -0.003639 -0.000724
C 5.61749 2.93458 26.62179 0.000309 -0.001216 -0.002721
C 4.56035 4.40723 28.99403 -0.002011 -0.001478 -0.000951
C 4.12631 1.25056 27.63361 -0.00291 -0.003024 -0.004848
C 0.81384 1.45137 29.09859 0.012855 -0.002699 -0.000324
C 3.21715 1.17847 28.76181 0.008897 0.00413 0.001604
C 1.03676 4.88384 29.9395 0.00571 0.00546 0.000304
C 4.94103 2.32009 27.77399 -0.008445 0.006296 0.002477
C 3.47041 2.30432 29.61584 0.00657 0.005922 -0.001218
C 8.66066 1.25049 25.64544 0.008464 -0.015349 -0.001352
C 7.8461 2.32013 25.50457 -0.004867 0.015778 0.00071
C 3.47038 5.13257 29.61589 0.006568 -0.004926 -0.001104
C 0.75141 1.17854 24.51756 -0.017649 -0.021194 0.000976
C 7.16964 2.93457 26.65659 -0.00449 -0.004341 0.001823
C 2.39395 4.4415 30.19891 0.019975 0.004744 -0.00084
C 4.56039 3.02965 28.99406 -0.001002 0.001566 -0.001999
C 3.8565 0.59159 26.32659 0.009164 -0.005029 6.6e-05
C 2.40433 0.38246 26.11597 -0.009978 0.007338 -0.002216
C 8.57107 1.45927 28.13287 0.004691 -0.004993 0.001283
C 0.81382 5.98554 29.09866 0.011949 0.003335 -0.000339
C 0.11194 0.59149 26.95228 -0.007082 -0.003584 4.1e-05
C 1.92734 0.76268 28.50967 -0.001194 0.003621 -0.002393
C 1.56413 0.38235 27.16263 0.009471 0.003183 0.003314
C 1.92732 6.6742 28.50977 -0.000597 -0.003824 -0.002219
C 3.76485 3.7186 23.50299 0.014905 -0.002414 -0.003606
C 7.78922 2.55995 27.97525 -0.010048 0.005012 -0.001858
C 4.16156 9.09912 25.14584 0.005745 -0.014901 -0.003573
C 3.37961 10.19976 25.3029 -0.021438 0.014034 0.002436
C 7.34075 10.19281 29.93942 -0.006544 -0.005444 0.000305
C 3.61906 11.35832 24.49616 -0.009904 -0.00439 -0.004083
C 5.98355 10.63518 30.19886 -0.019544 -0.003873 -0.000755
C 2.76004 10.57437 26.62175 0.000191 -0.001343 -0.005449
C 3.81719 12.04702 28.99402 0.001889 -0.001824 -0.001056
C 4.25123 8.89034 27.63355 0.003023 -0.003348 -0.00608
C 7.5637 9.09115 29.09855 -0.012436 -0.00267 -0.000887
C 5.16039 8.81826 28.76176 -0.009331 0.004513 0.00157
C 7.34078 12.52363 29.93953 -0.005407 0.004603 0.000441
C 3.43651 9.95988 27.77391 0.008291 0.006482 0.003416
C 4.90713 9.94411 29.61578 -0.005964 0.005802 -0.001152
C 8.53534 8.89028 25.64532 -0.009728 -0.015619 0.001033
C 0.53144 9.95992 25.50444 0.006305 0.015874 -0.001187
C 4.90715 12.77236 29.6159 -0.007404 -0.005097 -0.000982
C 7.62613 8.81833 24.51758 0.014956 -0.025695 0.00068
C 1.2079 10.57436 26.65647 0.004191 -0.004624 0.003949
C 5.98359 12.08129 30.19892 -0.019751 0.004121 -0.000699
C 3.81715 10.66944 28.99399 0.00092 0.001846 -0.002127
C 4.52104 8.23138 26.32647 -0.009614 -0.004919 0.003255
C 5.97321 8.02224 26.11593 0.009853 0.007665 -0.001493
C 8.62493 9.09905 28.1328 -0.004979 -0.004637 0.002615
C 7.56372 13.62533 29.09872 -0.011213 0.003349 -0.00055
C 8.2656 8.23128 26.95226 0.00704 -0.003116 -0.002439
C 6.4502 8.40247 28.50962 0.001562 0.003335 -0.001953
C 6.81341 8.02214 27.16261 -0.009633 0.002931 0.002805
C 6.45022 14.31399 28.50987 0.000893 -0.002818 -0.002119
C 4.61269 11.35839 23.50257 -0.022787 -0.001515 0.000191
C 0.58832 10.19974 27.9752 0.010188 0.005098 -0.003375
C 8.57104 5.9777 28.13294 0.004957 0.005619 5.6e-05
C 7.78926 4.87696 27.97522 -0.010144 -0.005593 -0.000238
C 2.93188 4.88403 23.34061 -0.02039 -0.006867 -0.000234
C 8.02869 3.71846 28.78144 0.002439 0.000153 0.003217
C 1.57469 4.4417 23.08859 0.018702 -0.044744 -0.000329
C 7.16965 4.50232 26.65665 -0.004792 0.004308 -0.002867
C 8.22674 3.02974 24.28528 -0.023279 0.008943 0.000289
C 8.66077 6.1864 25.64569 0.007059 0.01417 -0.005293
C 3.15477 5.98568 24.18049 -0.009553 0.027705 -0.002379
C 0.75143 6.25855 24.5177 -0.025341 0.012725 0.002491
C 2.93184 2.55321 23.34083 -0.011543 -0.003014 -0.000147
C 7.84615 5.11681 25.50461 -0.002875 -0.016331 0.004415
C 0.49823 5.13276 23.66514 -0.022908 0.013454 -0.000107
C 4.12632 6.18645 27.63368 -0.00269 0.00167 -0.00332
C 4.941 5.11685 27.77408 -0.007049 -0.006468 -0.000834
C 0.49822 2.30441 23.6649 -0.024249 -0.00926 0.000177
C 3.21714 6.25844 28.7619 0.008606 -0.0042 0.000881
C 5.61749 4.50237 26.62175 0.000335 0.001356 0.001988
C 1.57467 2.99555 23.08863 0.014042 0.051041 -0.000274
C 8.22678 4.40733 24.28531 -0.027172 -0.00577 -0.000779
C 0.11195 6.84548 26.95229 -0.008734 0.005856 0.003261
C 1.56411 7.05466 27.16273 0.0099 -0.004216 0.003769
C 4.21597 5.97772 25.14609 0.002548 0.008476 0.001932
C 3.15473 1.45158 24.18054 -0.00572 -0.019865 -0.002392
C 3.85651 6.84544 26.32668 0.008212 0.004182 -0.00036
C 2.04123 6.67429 24.76912 0.020486 0.016225 0.000123
C 2.40433 7.05457 26.11611 -0.009262 -0.00625 -0.003751
C 2.04122 0.76291 24.76915 0.008177 -0.018382 -0.000222
C 0.20379 3.71844 29.77564 -0.001405 0.000306 -0.000877
C 4.99788 4.87702 25.30327 0.013652 -0.002692 -0.005606