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
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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
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C 2.93782 13.62392 19.98861 0.003734 -0.006636 0.006585
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C 5.14244 2.16424 19.98486 -0.008603 0.001016 0.003423
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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
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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
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C 5.88064 8.53073 19.98345 0.001312 0.000456 0.001896
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C 8.08525 9.80403 19.97225 0.003918 0.00312 -0.004254
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C 5.88064 11.07732 19.96528 -0.009074 0.003032 -0.008019
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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
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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
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C 7.84657 13.89834 24.51784 0.024766 0.017791 0.003496
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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
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C 3.60012 12.51681 25.3032 -0.015145 -0.003615 -0.002825
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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
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C 3.43761 1.17847 28.76178 0.009121 0.004453 0.001989
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C 0.06266 1.25049 25.64541 0.009018 -0.015313 -0.000533
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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
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C 4.78085 3.02965 28.99402 -0.000891 0.00167 -0.002254
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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
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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
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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=-1515.04428264 config_type=nep2xyz pbc="T T T" virial="-38.299724913431376 0.0 0.0 0.0 -43.51406397329414 -0.007232559581113478 0.0 -0.007232559581113478 -4.918771261632262" 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
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C 2.93782 0.89094 19.98477 0.000994 0.002691 0.002929
C 3.67602 2.16424 19.9783 0.001966 0.012749 -0.001192
C 0.73321 4.71084 19.96832 -0.009128 0.005335 -0.007298
C 1.47141 3.43754 19.96271 -0.008506 -0.011225 -0.00978
C 2.93782 3.43754 19.96589 0.008701 0.005668 -0.008447
C 3.67602 4.71084 19.9732 -0.003278 -0.013518 -0.00499
C 0.73321 7.25743 19.984 0.007615 -0.016778 0.002024
C 1.47141 5.98413 19.97395 -0.006246 -0.002121 -0.004475
C 2.93782 5.98413 19.97578 -0.004226 0.008392 -0.003117
C 3.67602 7.25743 19.98524 -0.011004 -0.015242 0.004339
C 0.73321 9.80403 19.98299 -0.017373 -0.003122 0.001513
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C 2.93782 8.53073 19.98759 0.004262 0.002554 0.006062
C 3.67602 9.80403 19.9854 0.009859 0.001039 0.003995
C 0.73321 12.35062 19.98146 -0.022924 9.8e-05 6.2e-05
C 1.47141 11.07732 19.98516 0.006686 -0.001747 0.00269
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C 3.67602 14.89722 19.98829 -0.002007 0.00476 0.006529
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C 8.08525 14.89722 19.984 -0.007615 -0.016778 0.002024
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C 0.80874 12.77141 27.97514 0.008855 -0.005156 0.001293
C 5.66612 12.77847 23.34142 0.029103 -0.013763 -0.000292
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C 7.02331 12.33614 23.0886 -0.025392 -0.047952 -0.000217
C 1.42835 12.39676 26.65651 0.004449 0.004894 0.002296
C 0.37126 10.92419 24.28485 0.019715 -0.000432 1.6e-05
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C 4.38203 13.87217 25.14639 -0.006507 0.008517 5e-05
C 5.44327 9.34603 24.18063 -0.000351 -0.017398 -0.001355
C 4.74149 14.73988 26.32692 -0.007599 0.004697 -0.002933
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C 6.55678 8.65735 24.76929 0.001997 -0.019543 5.3e-05
C 8.3942 11.61289 29.77554 0.000491 0.000147 0.00145
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C 4.43644 1.714 25.14598 -0.004817 -0.017299 -6.5e-05
C 5.21839 2.81463 25.30313 0.018563 0.013368 -0.001601
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C 5.83796 3.18924 26.62175 -0.00039 -0.002829 0.002132
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C 4.34677 1.50522 27.63356 -0.004293 -0.002136 0.002921
C 1.0343 1.70603 29.09855 0.012087 -0.002008 0.000676
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C 0.06266 1.50515 25.64532 0.010379 -0.014903 -0.001163
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C 0.97187 1.4332 24.5176 -0.011416 -0.022867 0.000154
C 7.3901 3.18923 26.65647 -0.003827 -0.006106 -0.002718
C 2.61441 4.69616 30.19897 0.019006 0.004227 -0.000641
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168
energy=-1515.04416451 config_type=nep2xyz pbc="T T T" virial="-38.322515886064885 0.0 0.0 0.0 -43.553170254750164 0.019679290023029698 0.0 0.019679290023029698 -4.918939460692289" 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
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168
energy=-1515.04395665 config_type=nep2xyz pbc="T T T" virial="-38.33534106439186 0.0 0.0 0.0 -43.57343824148328 0.0037003793205696864 0.0 0.0037003793205696864 -4.896989483358909" 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
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168
energy=-1515.0431621 config_type=nep2xyz pbc="T T T" virial="-38.33824249817731 0.0 0.0 0.0 -43.591267341846034 0.011521635611773795 0.0 0.011521635611773795 -4.893499352863372" 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
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168
energy=-1515.04326957 config_type=nep2xyz pbc="T T T" virial="-38.31532537624878 0.0 0.0 0.0 -43.54185886796342 0.0042470262656538445 0.0 0.0042470262656538445 -4.915365230666739" 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
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168
energy=-1515.04479227 config_type=nep2xyz pbc="T T T" virial="-38.27731238868292 0.0 0.0 0.0 -43.47844782233366 -0.0030275830804661072 0.0 -0.0030275830804661072 -4.94168838356079" 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
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C 3.67602 12.35062 19.98399 0.006413 0.002094 0.002868
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C 0.33242 8.88275 26.95236 -0.007095 0.00285 0.000305
C 1.78458 9.09194 27.16276 0.009976 -0.003587 0.003849
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C 0.42426 5.75572 29.77565 -0.002 0.000399 -0.001104
C 5.21834 6.9143 25.30303 0.018331 -0.011081 -0.003325
168
energy=-1515.04550793 config_type=nep2xyz pbc="T T T" virial="-38.27579859714269 0.0 0.0 0.0 -43.46473959894155 0.0030696328454725805 0.0 0.0030696328454725805 -4.952074675517389" 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
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C 5.21834 7.16896 25.30309 0.016465 -0.00634 -0.004071
168
energy=-1515.04538017 config_type=nep2xyz pbc="T T T" virial="-38.27214026758713 0.0 0.0 0.0 -43.46129151821102 0.009503246891463058 0.0 0.009503246891463058 -4.9373572577651235" 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
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C 5.21834 7.42362 25.30319 0.014892 -0.0016 -0.003118
168
energy=-1515.04462256 config_type=nep2xyz pbc="T T T" virial="-38.30275249651184 0.0 0.0 0.0 -43.521380632405275 0.005466469450841582 0.0 0.005466469450841582 -4.9373152080001175" 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
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168
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168
energy=-1515.04286101 config_type=nep2xyz pbc="T T T" virial="-38.3440453657482 0.0 0.0 0.0 -43.59236063573619 0.009545296656469532 0.0 0.009545296656469532 -4.904726640120099" 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
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C 2.26168 4.5828 24.76945 -0.000618 -0.013835 -0.002366
C 0.42426 7.53833 29.77548 -0.001986 -3.8e-05 -0.001014
C 5.21834 8.69691 25.30344 0.017012 -0.009769 0.002822
168
energy=-1515.04384515 config_type=nep2xyz pbc="T T T" virial="-38.31267624105337 0.0 0.0 0.0 -43.54442390362882 -0.008494052531307689 0.0 -0.008494052531307689 -4.906660929310398" 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 19.98393 -0.015978 0.004203 0.002152
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C 3.67602 9.80403 19.97913 0.001341 -0.011515 -0.000587
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C 2.93782 11.07732 19.98556 0.002351 -0.004482 0.003529
C 3.67602 12.35062 19.98822 -0.00011 -0.00369 0.006324
C 0.73321 14.89722 19.98165 -0.023862 -0.000826 0.000131
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C 3.67602 14.89722 19.98349 0.009575 0.000958 0.002151
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C 5.88064 3.43754 19.98556 -0.002351 -0.004482 0.003529
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C 8.08525 9.80403 19.98393 0.015978 0.004203 0.002152
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C 3.15234 8.95858 23.34172 -0.007556 -0.000721 -0.000999
C 8.24915 7.79301 28.78127 0.003221 3.9e-05 0.003997
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C 3.4376 10.33299 28.76205 0.009662 -0.003124 0.000449
C 5.83795 8.57693 26.62194 0.000397 0.001081 -0.002168
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C 8.44724 8.48188 24.28457 -0.017617 0.007912 0.001237
C 0.33242 10.92003 26.95235 -0.00769 0.002111 -0.003206
C 1.78458 11.12922 27.16292 0.008291 -0.001686 0.00121
C 4.43643 10.05227 25.14626 -0.003606 0.01771 -0.001816
C 3.37519 5.52613 24.18074 -0.002472 -0.027665 0.00128
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C 2.62479 11.12913 26.11626 -0.008628 -0.006425 0.000365
C 2.26168 4.83746 24.7693 0.008027 -0.015008 -0.002185
C 0.42426 7.79299 29.77554 -0.002389 -0.000149 -0.001076
C 5.21834 8.95157 25.3033 0.018314 -0.011804 0.001295
168
energy=-1515.04482401 config_type=nep2xyz pbc="T T T" virial="-38.294889190455635 0.0 0.0 0.0 -43.50624271700294 0.02594470500899428 0.0 0.02594470500899428 -4.9373152080001175" 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
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C 0.37122 1.09675 24.28496 0.020419 -0.000319 0.000236
C 8.48605 3.5349 26.95228 0.006667 0.003754 0.002507
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C 4.43644 5.78855 25.14621 0.005839 -0.008194 0.000685
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168
energy=-1515.04544165 config_type=nep2xyz pbc="T T T" virial="-38.273107412182284 0.0 0.0 0.0 -43.45746498959543 0.010806789606663742 0.0 0.010806789606663742 -4.9452626135863404" 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
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168
energy=-1515.04535968 config_type=nep2xyz pbc="T T T" virial="-38.271425421582016 0.0 0.0 0.0 -43.460492572675896 0.017408602712680115 0.0 0.017408602712680115 -4.948037898076768" 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
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C 4.7415 13.32457 26.32663 -0.008363 -0.004831 -0.00273
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C 7.78418 3.43895 29.09861 -0.012585 0.00185 0.000701
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C 0.80878 0.01336 27.97516 0.008806 0.006105 0.002526
C 8.7915 11.07089 28.13295 0.003697 0.004636 -0.000647
C 8.00972 9.97015 27.97519 -0.009261 -0.005007 0.002249
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C 8.24915 8.81165 28.78151 -0.00023 -0.000895 -0.002857
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C 3.37523 11.07887 24.18051 -0.005538 0.029637 -0.000856
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C 3.1523 7.6464 23.34092 -0.012857 -0.000572 -0.000805
C 8.06661 10.21 25.50467 -0.003346 -0.016162 -0.001555
C 0.71869 10.22595 23.66523 -0.020573 0.00996 0.00066
C 4.34678 11.27964 27.63361 -0.002704 0.000148 0.002659
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C 0.71868 7.3976 23.66494 -0.023485 -0.012274 0.000582
C 3.4376 11.35163 28.76194 0.009173 -0.002793 -0.002701
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C 8.44724 9.50052 24.28526 -0.030121 -0.004128 0.001107
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C 3.37519 6.54477 24.18053 -0.001705 -0.024455 -0.000706
C 4.07697 11.93863 26.32673 0.008058 0.004983 -0.002966
C 2.26169 11.76748 24.76915 0.01664 0.014452 0.000185
C 2.62479 12.14776 26.11603 -0.011057 -0.004918 0.003403
C 2.26168 5.8561 24.76923 0.006817 -0.01749 7.4e-05
C 0.42426 8.81163 29.77558 0.000518 -0.000332 0.00178
C 5.21834 9.97021 25.3032 0.015403 -0.0016 9e-06
168
energy=-1515.04370238 config_type=nep2xyz pbc="T T T" virial="-38.296445031760875 0.0 0.0 0.0 -43.51255018175391 -0.00012614929501942113 0.0 -0.00012614929501942113 -4.92713916486855" 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 19.9814 -0.022955 8.3e-05 4e-06
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C 0.73321 12.35062 19.984 0.007489 -0.014411 0.00192
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C 0.73321 14.89722 19.98297 -0.016919 -0.005005 0.001491
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C 2.93782 13.62392 19.98763 0.004116 0.003107 0.005893
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C 8.08525 9.80403 19.9814 0.022955 8.3e-05 4e-06
C 5.14244 12.35062 19.98828 0.002479 0.006765 0.006661
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C 0.06277 11.53425 25.64557 0.007615 0.016813 0.003835
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C 1.79513 8.3434 23.08827 0.015093 0.061465 -0.000282
C 8.44724 9.75518 24.28494 -0.029187 0.004245 0.001019
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C 1.78458 12.40251 27.16293 0.010672 -0.004335 -0.005206
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C 4.07697 12.19329 26.32687 0.008529 0.005085 -0.003892
C 2.26169 12.02214 24.76927 0.013705 0.013532 0.000885
C 2.62479 12.40242 26.11618 -0.01038 -0.004725 0.003198
C 2.26168 6.11076 24.76932 -0.001577 -0.018723 0.000468
C 0.42426 9.06629 29.77554 0.000527 -0.000509 0.001761
C 5.21834 10.22487 25.30346 0.013235 0.000667 -0.000955
168
energy=-1515.0431999 config_type=nep2xyz pbc="T T T" virial="-38.3225999855949 0.0 0.0 0.0 -43.55333845381019 0.01496971634230464 0.0 0.01496971634230464 -4.910529507690994" 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
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C 0.73321 12.35062 19.98268 0.008678 -0.017181 0.001143
C 1.47141 11.07732 19.97116 -0.009652 2e-05 -0.005661
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C 8.08525 9.80403 19.98168 0.024613 -0.000392 0.00015
C 5.14244 12.35062 19.98816 -0.000586 0.004183 0.006323
C 5.88064 11.07732 19.98841 -3.6e-05 -0.008591 0.006332
C 7.34705 11.07732 19.98795 0.000452 -0.004923 0.005221
C 8.08525 12.35062 19.98725 0.004853 0.001938 0.004208
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C 5.88064 13.62392 19.98578 -0.002552 0.004031 0.003744
C 7.34705 13.62392 19.98485 0.005717 0.011844 0.002491
C 8.08525 14.89722 19.97587 -0.001714 0.010101 -0.002501
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C 5.66612 2.84675 23.34186 0.026852 -0.017956 -0.000965
C 0.56931 1.68119 28.78125 -0.002934 0.00012 0.003691
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C 4.43643 11.83489 25.14664 0.005366 0.010701 -0.002545
C 3.37519 7.30875 24.18087 0.004303 -0.014074 0.001318
C 4.07697 12.70261 26.32703 0.009463 0.005802 -3.4e-05
C 2.26169 12.53146 24.76958 -0.001763 0.014102 -0.001738
C 2.62479 12.91174 26.11636 -0.007497 -0.004457 0.000625
C 2.26168 6.62007 24.76949 -0.01041 -0.017065 -0.001196
C 0.42426 9.57561 29.77547 -0.002163 0.000485 -0.000901
C 5.21834 10.73419 25.30362 0.012364 -0.000837 0.001656
168
energy=-1515.04371029 config_type=nep2xyz pbc="T T T" virial="-38.34846059107388 0.0 0.0 0.0 -43.603083325812854 0.004709573680725055 0.0 0.004709573680725055 -4.896737184768869" 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 19.98202 -0.026127 0.000425 0.000394
C 1.47141 0.89094 19.98746 0.00383 0.001795 0.004727
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C 3.67602 2.16424 19.98346 0.013052 0.000899 0.002183
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C 1.47141 3.43754 19.98735 0.004396 -0.002365 0.004563
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C 3.67602 4.71084 19.98728 0.00707 0.000431 0.00533
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C 1.47141 5.98413 19.98626 -0.006028 0.003567 0.003814
C 2.93782 5.98413 19.98686 0.003054 0.003253 0.004758
C 3.67602 7.25743 19.98166 -0.005615 0.011902 0.001324
C 0.73321 9.80403 19.96679 -0.011255 0.000774 -0.007721
C 1.47141 8.53073 19.96715 -0.014053 -0.007862 -0.007652
C 2.93782 8.53073 19.96919 0.003667 0.001406 -0.00666
C 3.67602 9.80403 19.97108 -0.005021 0.001422 -0.006036
C 0.73321 12.35062 19.97941 0.006479 -0.017295 -0.000414
C 1.47141 11.07732 19.96671 -0.014888 0.006714 -0.007713
C 2.93782 11.07732 19.96879 0.004919 -0.004222 -0.006696
C 3.67602 12.35062 19.98139 -0.004428 -0.012576 0.001181
C 0.73321 14.89722 19.98635 -0.010025 -0.003058 0.003778
C 1.47141 13.62392 19.98615 -0.006049 -0.003008 0.003786
C 2.93782 13.62392 19.98677 0.003077 -0.002027 0.00472
C 3.67602 14.89722 19.98741 0.006523 -0.001464 0.005431
C 5.14244 2.16424 19.97108 0.005021 0.001422 -0.006036
C 5.88064 0.89094 19.96919 -0.003667 0.001406 -0.00666
C 7.34705 0.89094 19.96715 0.014053 -0.007862 -0.007652
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C 5.14244 4.71084 19.98139 0.004428 -0.012576 0.001181
C 5.88064 3.43754 19.96879 -0.004919 -0.004222 -0.006696
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C 5.88064 8.53073 19.98793 0.00265 0.006926 0.005782
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C 8.08525 9.80403 19.98202 0.026127 0.000425 0.000394
C 5.14244 12.35062 19.98728 -0.00707 0.000431 0.00533
C 5.88064 11.07732 19.98784 0.003236 -0.007383 0.005646
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C 8.08525 12.35062 19.98617 0.010494 0.00257 0.003683
C 5.14244 14.89722 19.98166 0.005615 0.011902 0.001324
C 5.88064 13.62392 19.98686 -0.003054 0.003253 0.004758
C 7.34705 13.62392 19.98626 0.006028 0.003567 0.003814
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C 1.42835 2.97436 26.65619 0.000752 0.005165 0.000816
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C 5.44327 15.20319 24.18091 -0.003473 -0.017079 0.001605
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C 8.7915 12.08953 28.13278 0.00464 0.00454 0.001514
C 8.00972 10.98879 27.97492 -0.007033 -0.003999 -0.001828
C 3.15234 10.99586 23.34232 -0.015483 -0.011186 -0.001337
C 8.24915 9.83029 28.78115 0.002696 0.000511 0.003341
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C 8.4472 9.14157 24.28405 -0.019502 -0.022077 0.000829
C 0.06277 12.29823 25.6453 0.011066 0.01581 0.000997
C 3.37523 12.09751 24.18098 0.003274 0.015734 0.001733
C 0.97189 12.37038 24.51782 -0.008542 0.015543 0.000269
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C 0.71868 8.41624 23.66415 -0.043381 -0.01058 4.9e-05
C 3.4376 12.37027 28.76216 0.008023 -0.002658 0.000533
C 5.83795 10.6142 26.6221 0.000706 0.000841 -0.001631
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C 8.44724 10.51916 24.28407 -0.019137 0.021224 0.000388
C 0.33242 12.95731 26.95226 -0.008334 0.004016 -0.00186
C 1.78458 13.16649 27.16293 0.005443 -0.002834 0.004528
C 4.43643 12.08955 25.14664 0.003053 0.013404 -0.003465
C 3.37519 7.56341 24.18091 0.003473 -0.017079 0.001605
C 4.07697 12.95727 26.32705 0.009489 0.00506 0.001875
C 2.26169 12.78612 24.76963 -0.007944 0.016136 -0.001136
C 2.62479 13.1664 26.11639 -0.006459 -0.00502 -0.003265
C 2.26168 6.87473 24.76951 -0.007727 -0.016114 -0.002622
C 0.42426 9.83027 29.77542 -0.002297 0.000607 -0.000941
C 5.21834 10.98885 25.3036 0.013978 -0.003657 0.002958
168
energy=-1515.04396434 config_type=nep2xyz pbc="T T T" virial="-38.331598635306285 0.0 0.0 0.0 -43.56540673636705 0.00668591263602932 0.0 0.00668591263602932 -4.893583452393384" 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 19.98191 -0.025583 0.001142 0.000354
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C 3.67602 2.16424 19.98348 0.012031 0.002529 0.002286
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C 2.93782 5.98413 19.98719 0.00306 0.002096 0.005207
C 3.67602 7.25743 19.98292 -0.008943 0.012873 0.002388
C 0.73321 9.80403 19.96703 -0.01069 -0.001589 -0.007609
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C 1.47141 11.07732 19.96498 -0.014378 0.008972 -0.008645
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C 8.08525 12.35062 19.98514 0.013536 0.003746 0.002999
C 5.14244 14.89722 19.98292 0.008943 0.012873 0.002388
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C 8.08525 14.89722 19.98156 -0.00892 0.017454 0.000607
C 0.02696 4.70441 28.13276 -0.003969 0.002947 0.002464
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C 5.66612 3.61073 23.34209 0.010478 -0.005323 -0.001215
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C 1.42835 3.22902 26.65618 0.001585 0.005694 0.004129
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C 8.75569 4.9131 25.64524 -0.010278 0.017669 0.003715
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C 0.37122 3.13403 24.28419 0.017164 0.017593 0.001217
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C 5.44327 0.17828 24.18088 -0.000631 -0.022538 0.001605
C 4.74149 5.57214 26.32694 -0.00986 0.005652 0.000886
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C 6.19367 5.78128 26.11632 0.008015 -0.006056 -0.000878
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C 3.60012 3.60372 25.30344 -0.016857 -0.007565 0.002924
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C 3.43761 7.54496 28.76201 0.007613 0.003966 0.00138
C 1.25722 11.25033 29.93946 0.005084 0.006927 0.000131
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168
energy=-1515.04417884 config_type=nep2xyz pbc="T T T" virial="-38.319782651339466 0.0 0.0 0.0 -43.547745835064326 0.004457275090686213 0.0 0.004457275090686213 -4.922723939542871" 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
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168
energy=-1515.04428719 config_type=nep2xyz pbc="T T T" virial="-38.297075778235964 0.0 0.0 0.0 -43.50813495642823 0.03057017915970639 0.0 0.03057017915970639 -4.926172020273402" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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C 1.78458 14.18513 27.16276 0.010224 -0.003343 0.002888
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C 5.21834 12.00749 25.30308 0.018984 -0.010734 -0.003143
168
energy=-1515.04465211 config_type=nep2xyz pbc="T T T" virial="-38.271551570877044 0.0 0.0 0.0 -43.44821404129401 0.00454137462069916 0.0 0.00454137462069916 -4.950350635152124" 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
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C 3.4376 13.64356 28.76188 0.008937 -0.004087 0.000818
C 5.83795 11.8875 26.62175 -0.000101 0.001749 0.000806
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C 8.44724 11.79245 24.28542 -0.027825 -0.008795 -0.00035
C 0.33242 14.2306 26.95239 -0.008381 0.005417 0.001527
C 1.78458 14.43979 27.16276 0.011225 -0.004148 0.002684
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C 3.37519 8.83671 24.18044 -0.004747 -0.028245 -0.001435
C 4.07697 14.23056 26.32664 0.008856 0.005835 -0.000228
C 2.26169 14.05941 24.76919 0.015126 0.015074 -0.001021
C 2.62479 14.4397 26.11608 -0.00984 -0.006467 -0.001403
C 2.26168 8.14803 24.76911 0.013783 -0.01581 -0.001354
C 0.42426 11.10357 29.77567 -0.001485 -0.000217 -0.001257
C 5.21834 12.26215 25.30315 0.017063 -0.008125 -0.004237
168
energy=-1515.04451685 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
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C 3.67602 2.16424 19.98486 0.008603 0.001016 0.003423
C 0.73321 4.71084 19.98133 -0.021308 0.001171 6.1e-05
C 1.47141 3.43754 19.98461 0.006477 -0.001643 0.002014
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C 3.67602 4.71084 19.98389 0.006511 -0.001018 0.002669
C 0.73321 7.25743 19.98701 -0.000413 0.00292 0.003916
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C 5.14244 12.35062 19.98389 -0.006511 -0.001018 0.002669
C 5.88064 11.07732 19.98605 0.003837 0.001019 0.003563
C 7.34705 11.07732 19.98461 -0.006477 -0.001643 0.002014
C 8.08525 12.35062 19.98133 0.021308 0.001171 6.1e-05
C 5.14244 14.89722 19.98833 0.004772 0.007285 0.006268
C 5.88064 13.62392 19.98861 -0.003734 -0.006636 0.006586
C 7.34705 13.62392 19.98781 0.00591 -0.00538 0.005054
C 8.08525 14.89722 19.98701 0.000413 0.00292 0.003916
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168
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168
energy=-1515.04416443 config_type=nep2xyz pbc="T T T" virial="-38.322515886064885 0.0 0.0 0.0 -43.553170254750164 0.019679290023029698 0.0 0.019679290023029698 -4.918939460692289" 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
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168
energy=-1515.04395665 config_type=nep2xyz pbc="T T T" virial="-38.33534106439186 0.0 0.0 0.0 -43.57343824148328 0.0037003793205696864 0.0 0.0037003793205696864 -4.896989483358909" 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
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C 1.79513 11.39931 23.08712 0.023451 0.05673 -0.000371
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C 1.78458 0.17886 27.16297 0.006742 -0.003421 0.000539
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C 4.07697 15.2492 26.32702 0.00954 0.004746 0.000963
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C 5.21834 13.28078 25.30362 0.01285 0.000801 0.002998
168
energy=-1515.04358818 config_type=nep2xyz pbc="T T T" virial="-38.34694679953365 0.0 0.0 0.0 -43.601695683567634 0.018039349187777224 0.0 0.018039349187777224 -4.896232587588792" 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 19.98634 -0.009937 -0.000842 0.00369
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C 5.21834 13.53544 25.3036 0.014645 -0.00349 0.003486
168
energy=-1515.0431619 config_type=nep2xyz pbc="T T T" virial="-38.33824249817731 0.0 0.0 0.0 -43.591267341846034 0.011521635611773795 0.0 0.011521635611773795 -4.893499352863372" 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
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C 2.93782 5.98413 19.98739 -0.003949 -0.004559 0.004957
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168
energy=-1515.04388991 config_type=nep2xyz pbc="T T T" virial="-38.29573018575576 0.0 0.0 0.0 -43.500145501077 0.010133993366560163 0.0 0.010133993366560163 -4.9307133948941" 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
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168
energy=-1515.04479223 config_type=nep2xyz pbc="T T T" virial="-38.27731238868292 0.0 0.0 0.0 -43.47844782233366 -0.0030696328454725805 0.0 -0.0030696328454725805 -4.94168838356079" 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
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C 5.21834 14.80874 25.30309 0.016466 -0.00634 -0.004069
168
energy=-1515.04537759 config_type=nep2xyz pbc="T T T" virial="-38.272098217822126 0.0 0.0 0.0 -43.46129151821102 0.009503246891463058 0.0 0.009503246891463058 -4.937483407060142" 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
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C 5.21834 15.0634 25.30319 0.01491 -0.001588 -0.003056
168
energy=-1515.04462259 config_type=nep2xyz pbc="T T T" virial="-38.30275249651184 0.0 0.0 0.0 -43.521380632405275 0.005466469450841582 0.0 0.005466469450841582 -4.9373152080001175" 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
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168
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168
energy=-1515.0430028 config_type=nep2xyz pbc="T T T" virial="-38.34438176386825 0.0 0.0 0.0 -43.59505182069661 0.008620201826327112 0.0 0.008620201826327112 -4.899260170669259" 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
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168
energy=-1515.04311295 config_type=nep2xyz pbc="T T T" virial="-38.345433007993414 0.0 0.0 0.0 -43.597995304247064 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
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C 5.21834 1.05713 25.30344 0.017013 -0.009765 0.00283
168
energy=-1515.04384515 config_type=nep2xyz pbc="T T T" virial="-38.31267624105337 0.0 0.0 0.0 -43.54442390362882 -0.008494052531307689 0.0 -0.008494052531307689 -4.906660929310398" 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
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C 2.26169 3.36371 24.76933 6.1e-05 0.018496 0.000207
C 2.62479 3.744 26.11609 -0.011894 -0.006806 0.003605
C 2.26168 12.7319 24.76916 0.014779 -0.016906 0.001455
C 0.42426 0.40787 29.77556 -0.000116 -5e-06 0.001616
C 5.21834 1.56645 25.3031 0.019017 -0.011187 -0.001025
168
energy=-1515.0454416 config_type=nep2xyz pbc="T T T" virial="-38.273107412182284 0.0 0.0 0.0 -43.45746498959543 0.010806789606663742 0.0 0.010806789606663742 -4.9452626135863404" 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
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C 5.21834 1.82111 25.30303 0.019457 -0.009137 -0.000361
168
energy=-1515.04535986 config_type=nep2xyz pbc="T T T" virial="-38.271425421582016 0.0 0.0 0.0 -43.460492572675896 0.017408602712680115 0.0 0.017408602712680115 -4.948037898076768" 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
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C 5.21834 2.07577 25.30309 0.017032 -0.006207 -0.00349
168
energy=-1515.04451856 config_type=nep2xyz pbc="T T T" virial="-38.28349370413888 0.0 0.0 0.0 -43.48252664953929 0.012236481616883848 0.0 0.012236481616883848 -4.934119425859625" 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
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C 2.26169 4.12769 24.76915 0.016639 0.014451 0.000182
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C 2.26168 13.49588 24.76923 0.006816 -0.017488 7.1e-05
C 0.42426 1.17184 29.77558 0.000515 -0.000332 0.001776
C 5.21834 2.33043 25.3032 0.01541 -0.001594 3.1e-05
168
energy=-1515.04370261 config_type=nep2xyz pbc="T T T" virial="-38.296487081525875 0.0 0.0 0.0 -43.51250813198891 -0.00012614929501942113 0.0 -0.00012614929501942113 -4.927181214633557" 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 19.96828 -0.008494 0.006279 -0.007237
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C 5.21834 2.83974 25.30357 0.012276 0.000945 0.000445
168
energy=-1515.04325792 config_type=nep2xyz pbc="T T T" virial="-38.337317403347164 0.0 0.0 0.0 -43.59391647704143 0.0015137915402330536 0.0 0.0015137915402330536 -4.894003950043449" 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
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C 2.62479 5.27196 26.11636 -0.007497 -0.004457 0.000624
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C 5.21834 3.0944 25.30362 0.012364 -0.000837 0.001656
168
energy=-1515.04371023 config_type=nep2xyz pbc="T T T" virial="-38.34846059107388 0.0 0.0 0.0 -43.603083325812854 0.004709573680725055 0.0 0.004709573680725055 -4.896737184768869" 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
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C 1.79515 3.1684 23.08723 0.022249 -0.057862 -0.000335
C 7.39011 3.22902 26.65618 -0.001585 0.005694 0.004129
C 8.4472 1.75645 24.28423 -0.022488 -0.020507 -6.6e-05
C 0.06277 4.9131 25.64524 0.010278 0.017669 0.003715
C 3.37523 4.71238 24.18088 0.003029 0.012822 0.001036
C 0.97189 4.98525 24.51776 -0.006404 0.018114 -0.000946
C 3.1523 1.27991 23.34215 -0.023604 0.015418 -0.001186
C 8.06661 3.84352 25.50404 -0.005044 -0.019141 -0.003229
C 0.71869 3.85946 23.66413 -0.042764 0.010802 1.5e-05
C 4.34678 4.91315 27.63388 -0.003013 0.002906 -0.002674
C 5.16147 3.84355 27.7743 -0.004533 -0.005301 0.000868
C 0.71868 1.03111 23.66442 -0.038444 -0.011008 -5.6e-05
C 3.4376 4.98514 28.76207 0.008309 -0.002946 0.000439
C 5.83795 3.22908 26.62204 0.000373 0.0019 -0.003286
C 1.79513 1.72225 23.08744 0.029912 0.04856 -0.00034
C 8.44724 3.13403 24.28419 -0.017164 0.017593 0.001217
C 0.33242 5.57218 26.95229 -0.007807 0.002526 -0.00379
C 1.78458 5.78137 27.16294 0.006931 -0.001992 0.002145
C 4.43643 4.70442 25.14641 -0.000249 0.015786 -0.003014
C 3.37519 0.17828 24.18088 0.000631 -0.022538 0.001605
C 4.07697 5.57214 26.32694 0.00986 0.005652 0.000887
C 2.26169 5.40099 24.7696 -0.010308 0.017512 -0.001297
C 2.62479 5.78128 26.11632 -0.008014 -0.006056 -0.00088
C 2.26168 14.76918 24.76945 -0.000368 -0.015631 -0.002646
C 0.42426 2.44514 29.77545 -0.002369 5.9e-05 -0.000899
C 5.21834 3.60372 25.30344 0.016857 -0.007565 0.002924
168
energy=-1515.04417883 config_type=nep2xyz pbc="T T T" virial="-38.319782651339466 0.0 0.0 0.0 -43.547745835064326 0.004457275090686213 0.0 0.004457275090686213 -4.922723939542871" 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 19.96762 -0.009613 -0.003347 -0.007426
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C 2.93782 5.98413 19.98565 0.002255 -0.002128 0.003694
C 3.67602 7.25743 19.98826 0.000367 -0.005097 0.006345
C 0.73321 9.80403 19.98165 -0.0243 0.001441 0.000238
C 1.47141 8.53073 19.98797 -0.001399 0.00494 0.00541
C 2.93782 8.53073 19.98846 0.000929 0.008289 0.006592
C 3.67602 9.80403 19.98353 0.009862 0.003428 0.002373
C 0.73321 12.35062 19.98395 -0.015801 0.004512 0.002195
C 1.47141 11.07732 19.98581 0.006589 -0.000786 0.00324
C 2.93782 11.07732 19.98679 -0.004206 -0.005788 0.004495
C 3.67602 12.35062 19.98598 0.010084 8.2e-05 0.004393
C 0.73321 14.89722 19.98305 0.008817 0.016261 0.001483
C 1.47141 13.62392 19.98678 -0.006665 -0.002847 0.004383
C 2.93782 13.62392 19.98748 0.003559 0.000547 0.005635
C 3.67602 14.89722 19.98426 -0.010775 0.013093 0.003384
C 5.14244 2.16424 19.98353 -0.009862 0.003428 0.002373
C 5.88064 0.89094 19.98846 -0.000929 0.008289 0.006592
C 7.34705 0.89094 19.98797 0.001399 0.00494 0.00541
C 8.08525 2.16424 19.98165 0.0243 0.001441 0.000238
C 5.14244 4.71084 19.98598 -0.010084 8.2e-05 0.004393
C 5.88064 3.43754 19.98679 0.004206 -0.005788 0.004495
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C 8.08525 4.71084 19.98395 0.015801 0.004512 0.002195
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C 5.88064 11.07732 19.96642 -0.008416 -0.009749 -0.007973
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C 5.14244 14.89722 19.98826 -0.000367 -0.005097 0.006345
C 5.88064 13.62392 19.98565 -0.002255 -0.002128 0.003694
C 7.34705 13.62392 19.98468 0.005675 -0.010919 0.002448
C 8.08525 14.89722 19.98733 0.004378 -0.002537 0.004363
C 0.02696 12.59885 28.13279 -0.004525 0.003786 0.002489
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C 0.56931 10.33961 28.78128 -0.002228 -0.001237 0.002845
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C 1.42835 11.12347 26.65628 0.002657 0.006041 0.005137
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C 5.44327 8.07273 24.18073 0.001759 -0.028524 0.001029
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C 6.55678 7.38405 24.7693 -0.008232 -0.014997 -0.001933
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C 5.21839 1.54133 25.30343 0.011838 -0.000369 0.001311
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C 8.00972 3.85832 27.97506 -0.009185 -0.003132 -0.003197
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C 1.79513 1.97691 23.08805 0.028114 0.046654 -0.000296
C 8.44724 3.38869 24.28452 -0.01844 0.008797 0.001491
C 0.33242 5.82684 26.95232 -0.007381 0.001349 -0.003536
C 1.78458 6.03602 27.16291 0.008352 -0.002233 0.001734
C 4.43643 4.95908 25.14619 -0.003259 0.016919 -0.002008
C 3.37519 0.43294 24.18073 -0.001759 -0.028524 0.001029
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C 2.62479 6.03594 26.11624 -0.009315 -0.006238 -0.000864
C 2.26168 15.02384 24.7693 0.008232 -0.014997 -0.001933
C 0.42426 2.6998 29.77551 -0.002249 -0.001311 -0.000715
C 5.21834 3.85838 25.30327 0.018801 -0.01079 0.001756
168
energy=-1515.04428639 config_type=nep2xyz pbc="T T T" virial="-38.297075778235964 0.0 0.0 0.0 -43.50813495642823 0.03057017915970639 0.0 0.03057017915970639 -4.926172020273402" Lattice="8.818460695 0.0 0.0 0.0 15.279571513 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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C 3.67602 7.25743 19.9883 -0.002597 -0.007536 0.006667
C 0.73321 9.80403 19.98138 -0.022599 0.001032 7.3e-05
C 1.47141 8.53073 19.98781 -0.004124 0.006185 0.005504
C 2.93782 8.53073 19.98844 0.002902 0.008587 0.006922
C 3.67602 9.80403 19.98362 0.007655 0.003364 0.002611
C 0.73321 12.35062 19.98281 -0.017482 0.004623 0.001374
C 1.47141 11.07732 19.985 0.006651 -0.000751 0.002527
C 2.93782 11.07732 19.98623 -0.004047 -0.004377 0.003998
C 3.67602 12.35062 19.98526 0.009595 0.000595 0.003921
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C 5.14244 14.89722 19.9883 0.002597 -0.007536 0.006667
C 5.88064 13.62392 19.98459 -0.000442 -0.000814 0.002813
C 7.34705 13.62392 19.98337 0.004742 -0.012969 0.001538
C 8.08525 14.89722 19.98721 0.002104 -0.00363 0.004376
C 0.02696 12.85351 28.13293 -0.003662 0.00419 -0.00184
C 0.80874 11.75277 27.9751 0.00844 -0.004765 0.00312
C 5.66612 11.75984 23.34118 0.009251 0.001862 -0.000693
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C 1.42835 11.37813 26.65652 0.003742 0.006941 -0.002879
C 0.37126 9.90555 24.28501 0.02883 -0.003746 0.001333
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C 7.84657 13.13436 24.5177 0.012304 0.023664 0.000544
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C 8.48605 13.72128 26.95229 0.006677 0.00289 0.003424
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168
energy=-1515.04453404 config_type=nep2xyz pbc="T T T" virial="-38.28353575390389 0.0 0.0 0.0 -43.473864397947956 0.0006727962401035794 0.0 0.0006727962401035794 -4.945851310296431" 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
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168
energy=-1515.04464932 config_type=nep2xyz pbc="T T T" virial="-38.271551570877044 0.0 0.0 0.0 -43.44821404129401 0.00454137462069916 0.0 0.00454137462069916 -4.950350635152124" 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 -0.005511 -0.0008 -0.005225
C 1.47141 0.89094 19.97983 -0.00306 0.012904 -0.000752
C 2.93782 0.89094 19.98151 -0.003814 -0.002678 0.000686
C 3.67602 2.16424 19.97593 -0.000389 0.015215 -0.002645
C 0.73321 4.71084 19.97049 -0.00662 0.002456 -0.005533
C 1.47141 3.43754 19.96145 -0.003146 -0.001884 -0.009417
C 2.93782 3.43754 19.9651 0.00911 -0.001211 -0.007934
C 3.67602 4.71084 19.97569 -0.000264 -0.014522 -0.002794
C 0.73321 7.25743 19.98615 0.002475 -0.008989 0.00332
C 1.47141 5.98413 19.9793 -0.003341 -0.010806 -0.001132
C 2.93782 5.98413 19.98102 -0.004334 0.004764 0.000343
C 3.67602 7.25743 19.9876 -0.007937 -0.012243 0.005896
C 0.73321 9.80403 19.98148 -0.019651 -0.001563 0.000337
C 1.47141 8.53073 19.98736 -0.007722 0.007406 0.00489
C 2.93782 8.53073 19.9883 0.005189 0.006724 0.006465
C 3.67602 9.80403 19.98431 0.007058 0.001389 0.003066
C 0.73321 12.35062 19.98145 -0.019902 0.002526 0.000213
C 1.47141 11.07732 19.98433 0.006444 -0.001394 0.001729
C 2.93782 11.07732 19.98585 -0.003619 -0.001001 0.003389
C 3.67602 12.35062 19.98422 0.006772 -0.000134 0.003016
C 0.73321 14.89722 19.98635 0.00196 0.006043 0.003467
C 1.47141 13.62392 19.9875 -0.007459 -0.005856 0.004851
C 2.93782 13.62392 19.98841 0.004648 -0.005511 0.006529
C 3.67602 14.89722 19.98778 -0.007442 0.009504 0.00604
C 5.14244 2.16424 19.98431 -0.007058 0.001389 0.003066
C 5.88064 0.89094 19.9883 -0.005189 0.006724 0.006465
C 7.34705 0.89094 19.98736 0.007722 0.007406 0.00489
C 8.08525 2.16424 19.98148 0.019651 -0.001563 0.000337
C 5.14244 4.71084 19.98422 -0.006772 -0.000134 0.003016
C 5.88064 3.43754 19.98585 0.003619 -0.001001 0.003389
C 7.34705 3.43754 19.98433 -0.006444 -0.001394 0.001729
C 8.08525 4.71084 19.98145 0.019902 0.002526 0.000213
C 5.14244 7.25743 19.98778 0.007442 0.009504 0.00604
C 5.88064 5.98413 19.98841 -0.004648 -0.005511 0.006529
C 7.34705 5.98413 19.9875 0.007459 -0.005856 0.004851
C 8.08525 7.25743 19.98635 -0.00196 0.006043 0.003467
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C 5.88064 8.53073 19.98151 0.003814 -0.002678 0.000686
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C 5.88064 11.07732 19.9651 -0.00911 -0.001211 -0.007934
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C 5.14244 14.89722 19.9876 0.007937 -0.012243 0.005896
C 5.88064 13.62392 19.98102 0.004334 0.004764 0.000343
C 7.34705 13.62392 19.9793 0.003341 -0.010806 -0.001132
C 8.08525 14.89722 19.98615 -0.002475 -0.008989 0.00332
C 0.02696 13.36283 28.13298 -0.005219 0.005765 0.00129
C 0.80874 12.26209 27.97531 0.011108 -0.00588 -0.00149
C 5.66612 12.26916 23.34069 0.020579 -0.003227 -0.000294
C 0.56931 11.10359 28.78146 -0.00241 -0.000339 0.004441
C 7.02331 11.82682 23.08916 -0.016273 -0.056106 -0.000211
C 1.42835 11.88745 26.6567 0.004907 0.005638 -0.00117
C 0.37126 10.41487 24.28539 0.026466 0.008957 -0.000184
C 8.75569 13.57153 25.64572 -0.007379 0.014988 -0.004016
C 5.44323 13.37081 24.18048 0.005464 0.027315 -0.001722
C 7.84657 13.64368 24.51775 0.023161 0.020938 0.002486
C 5.66616 9.93834 23.34068 0.019189 0.002673 -0.000348
C 0.75185 12.50194 25.50471 0.004302 -0.015912 0.003466
C 8.09977 12.51789 23.66523 0.019339 0.010589 -7.5e-05
C 4.47168 13.57157 27.63365 0.002565 0.001332 -0.003437
C 3.65699 12.50197 27.77405 0.007813 -0.006163 -0.000364
C 8.09978 9.68954 23.66515 0.019539 -0.01051 -6.4e-05
C 5.38086 13.64356 28.76188 -0.008937 -0.004086 0.000815
C 2.98051 11.8875 26.62175 0.000102 0.001749 0.0008
C 7.02333 10.38068 23.08912 -0.016058 0.05663 -0.000253
C 0.37122 11.79245 24.28542 0.027826 -0.008795 -0.00035
C 8.48605 14.2306 26.95239 0.00838 0.005418 0.001533
C 7.03388 14.43979 27.16276 -0.011223 -0.004149 0.00269
C 4.38203 13.36285 25.14599 0.001133 0.011058 0.001135
C 5.44327 8.83671 24.18044 0.004745 -0.028249 -0.001426
C 4.74149 14.23056 26.32664 -0.008856 0.005835 -0.000226
C 6.55677 14.05941 24.76919 -0.015126 0.015073 -0.001024
C 6.19367 14.4397 26.11608 0.009838 -0.006468 -0.001409
C 6.55678 8.14803 24.76911 -0.013783 -0.015809 -0.001357
C 8.3942 11.10357 29.77567 0.001481 -0.000217 -0.001252
C 3.60012 12.26215 25.30315 -0.017067 -0.008122 -0.004224
C 4.43644 1.20468 25.14588 -0.002049 -0.011984 0.000185
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C 1.25724 2.29837 29.93948 0.006081 -0.005006 0.000335
C 4.97894 3.46388 24.49593 0.009827 -0.00026 0.00368
C 2.61445 2.74073 30.19887 0.020014 -0.004226 -0.000801
C 5.83796 2.67992 26.62175 0.000115 -0.001526 -0.002904
C 4.78081 4.15257 28.994 -0.001538 -0.002964 -0.001112
C 4.34677 0.9959 27.63358 -0.002915 -0.002721 -0.006322
C 1.0343 1.19671 29.0986 0.01247 -0.003358 -0.000393
C 3.43761 0.92381 28.76177 0.009194 0.004652 0.001998
C 1.25722 4.62918 29.93951 0.006547 0.005556 0.000413
C 5.16149 2.06543 27.77395 -0.008555 0.006555 0.002862
C 3.69087 2.04967 29.6158 0.006611 0.005484 -0.001286
C 0.06266 0.99583 25.64555 0.008638 -0.014285 -0.004324
C 8.06656 2.06547 25.50462 -0.004675 0.015527 0.002778
C 3.69085 4.87791 29.61586 0.006538 -0.00564 -0.001161
C 0.97187 0.92388 24.51761 -0.022721 -0.021519 0.002627
C 7.3901 2.67991 26.65665 -0.005197 -0.004269 0.000436
C 2.61441 4.18684 30.1989 0.021317 0.003462 -0.000753
C 4.78085 2.77499 28.99399 -0.001002 0.003291 -0.002177
C 4.07696 0.33693 26.3265 0.009018 -0.005011 0.001887
C 2.62479 0.1278 26.11594 -0.010314 0.007069 -0.00112
C 8.79153 1.20461 28.13289 0.005025 -0.006285 0.00107
C 1.03428 5.73088 29.09869 0.011981 0.003071 -0.000655
C 0.3324 0.33683 26.95228 -0.007895 -0.005166 0.00205
C 2.1478 0.50802 28.50968 -0.000855 0.004513 -0.002324
C 1.78459 0.12769 27.16264 0.010573 0.003271 0.002137
C 2.14778 6.41954 28.50977 -0.000121 -0.003902 -0.002048
C 3.98531 3.46394 23.50264 0.021276 -0.000608 -0.002911
C 8.00968 2.30529 27.97529 -0.010596 0.005927 -0.001867
C 4.38202 8.84446 25.14588 0.002049 -0.011984 0.000185
C 3.60007 9.9451 25.30303 -0.017828 0.010083 -0.002863
C 7.56122 9.93815 29.93948 -0.006081 -0.005006 0.000335
C 3.83953 11.10366 24.49593 -0.009827 -0.00026 0.00368
C 6.20401 10.38052 30.19887 -0.020014 -0.004226 -0.000801
C 2.98051 10.31971 26.62175 -0.000115 -0.001526 -0.002904
C 4.03765 11.79236 28.994 0.001538 -0.002964 -0.001112
C 4.47169 8.63568 27.63358 0.002915 -0.002721 -0.006322
C 7.78416 8.8365 29.0986 -0.01247 -0.003358 -0.000393
C 5.38085 8.5636 28.76177 -0.009194 0.004652 0.001998
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C 3.65697 9.70522 27.77395 0.008555 0.006555 0.002862
C 5.12759 9.68945 29.6158 -0.006611 0.005484 -0.001286
C 8.7558 8.63562 25.64555 -0.008638 -0.014285 -0.004324
C 0.7519 9.70526 25.50462 0.004675 0.015527 0.002778
C 5.12761 12.5177 29.61586 -0.006538 -0.00564 -0.001161
C 7.84659 8.56367 24.51761 0.022721 -0.021519 0.002627
C 1.42836 10.3197 26.65665 0.005197 -0.004269 0.000436
C 6.20405 11.82663 30.1989 -0.021317 0.003462 -0.000753
C 4.03761 10.41478 28.99399 0.001002 0.003291 -0.002177
C 4.7415 7.97672 26.3265 -0.009018 -0.005011 0.001887
C 6.19367 7.76758 26.11594 0.010314 0.007069 -0.00112
C 0.02693 8.84439 28.13289 -0.005025 -0.006285 0.00107
C 7.78418 13.37067 29.09869 -0.011981 0.003071 -0.000655
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C 7.03387 7.76748 27.16264 -0.010573 0.003271 0.002137
C 6.67068 14.05933 28.50977 0.000121 -0.003902 -0.002048
C 4.83315 11.10373 23.50264 -0.021276 -0.000608 -0.002911
C 0.80878 9.94508 27.97529 0.010596 0.005927 -0.001867
C 8.7915 5.72304 28.13298 0.005219 0.005765 0.00129
C 8.00972 4.6223 27.97531 -0.011108 -0.00588 -0.00149
C 3.15234 4.62937 23.34069 -0.020579 -0.003227 -0.000294
C 8.24915 3.4638 28.78146 0.00241 -0.000339 0.004441
C 1.79515 4.18704 23.08916 0.016273 -0.056106 -0.000211
C 7.39011 4.24766 26.6567 -0.004907 0.005638 -0.00117
C 8.4472 2.77508 24.28539 -0.026466 0.008957 -0.000184
C 0.06277 5.93174 25.64572 0.007379 0.014988 -0.004016
C 3.37523 5.73102 24.18048 -0.005464 0.027315 -0.001722
C 0.97189 6.00389 24.51775 -0.023161 0.020938 0.002486
C 3.1523 2.29855 23.34068 -0.019189 0.002673 -0.000348
C 8.06661 4.86215 25.50471 -0.004302 -0.015912 0.003466
C 0.71869 4.8781 23.66523 -0.019339 0.010589 -7.5e-05
C 4.34678 5.93179 27.63365 -0.002565 0.001332 -0.003437
C 5.16147 4.86219 27.77405 -0.007813 -0.006163 -0.000364
C 0.71868 2.04975 23.66515 -0.019539 -0.01051 -6.4e-05
C 3.4376 6.00378 28.76188 0.008937 -0.004086 0.000815
C 5.83795 4.24771 26.62175 -0.000102 0.001749 0.0008
C 1.79513 2.74089 23.08912 0.016058 0.05663 -0.000253
C 8.44724 4.15267 24.28542 -0.027826 -0.008795 -0.00035
C 0.33242 6.59082 26.95239 -0.00838 0.005418 0.001533
C 1.78458 6.8 27.16276 0.011223 -0.004149 0.00269
C 4.43643 5.72306 25.14599 -0.001133 0.011058 0.001135
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C 4.07697 6.59078 26.32664 0.008856 0.005835 -0.000226
C 2.26169 6.41963 24.76919 0.015126 0.015073 -0.001024
C 2.62479 6.79991 26.11608 -0.009838 -0.006468 -0.001409
C 2.26168 0.50825 24.76911 0.013783 -0.015809 -0.001357
C 0.42426 3.46378 29.77567 -0.001481 -0.000217 -0.001252
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