168
energy=-1497.81384264 config_type=nep2xyz pbc="T T T" virial="-19.15935982652345 -0.010993278668775428 -0.04538470298665653 -0.010993278668775428 -27.363339991666553 0.006287984296926024 -0.04538470298665653 0.006287984296926024 -4.004847141494551" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77585 -0.001587 -0.005739 -0.004772
B 2.965 0.89696 19.78972 -0.004974 -0.0006 -0.001915
B 0.74125 4.74933 19.76999 -0.001531 0.015824 -0.006171
B 2.965 3.46521 19.75438 0.006418 0.000296 -0.008597
B 0.74125 7.31758 19.79621 0.000489 -0.006109 1.9e-05
B 2.965 6.03346 19.78263 -0.009677 0.005657 -0.003472
B 0.74125 9.88583 19.79114 -0.024024 0.000788 -0.000343
B 2.965 8.60171 19.80324 0.002021 0.011672 0.003108
B 0.74125 12.45408 19.78891 -0.024334 -0.00013 -0.000799
B 2.965 11.16996 19.80034 0.001083 0.003263 0.002043
B 0.74125 15.02233 19.80076 -0.006172 -0.003687 0.000717
B 2.965 13.73821 19.8026 0.002702 -0.017638 0.002736
B 5.18875 2.18108 19.79327 -0.00086 0.003827 -0.000657
B 7.4125 0.89696 19.80223 0.017607 -0.000383 0.001565
B 5.18875 4.74933 19.79269 0.000599 -0.003413 -0.000729
B 7.4125 3.46521 19.7978 0.009029 0.000815 -5.7e-05
B 5.18875 7.31758 19.80314 0.002993 0.008896 0.00288
B 7.4125 6.03346 19.80315 0.016204 0.000159 0.002061
B 5.18875 9.88583 19.78642 0.006441 0.018414 -0.00117
B 7.4125 8.60171 19.78952 0.017056 0.026201 -0.000536
B 5.18875 12.45408 19.77956 0.006383 -0.020703 -0.002765
B 7.4125 11.16996 19.76202 0.007522 -0.004292 -0.006771
B 5.18875 15.02233 19.79829 0.009543 -0.016427 0.001454
B 7.4125 13.73821 19.78163 0.013878 -0.017471 -0.002641
N 1.4825 0.89696 19.7917 0.010567 0.018225 -0.002296
N 3.70625 2.18108 19.77282 -0.001143 0.012503 -0.005435
N 1.4825 3.46521 19.74074 -0.004841 -0.009141 -0.009838
N 3.70625 4.74933 19.76843 -0.004743 -0.021027 -0.006657
N 1.4825 6.03346 19.77893 0.009 -0.002542 -0.004768
N 3.70625 7.31758 19.80114 -0.005735 -0.019966 0.002209
N 1.4825 8.60171 19.80174 -0.001826 3e-05 0.002398
N 3.70625 9.88583 19.79989 0.003631 -0.003358 0.00262
N 1.4825 11.16996 19.79793 0.00263 6.9e-05 0.000925
N 3.70625 12.45408 19.7957 0.001138 0.005517 0.001573
N 1.4825 13.73821 19.80239 -0.004342 0.000316 0.002423
N 3.70625 15.02233 19.80249 -0.001986 0.015923 0.002314
N 5.93 0.89696 19.80358 -0.011944 0.006112 0.002531
N 8.15375 2.18108 19.79498 0.01237 0.004759 -0.000593
N 5.93 3.46521 19.7986 -0.011132 0.000334 0.000376
N 8.15375 4.74933 19.79357 0.016925 -0.008828 -0.001167
N 5.93 6.03346 19.8054 -0.013182 -0.008877 0.003656
N 8.15375 7.31758 19.80079 -0.004149 -0.001736 0.001736
N 5.93 8.60171 19.79545 0.001627 -0.002874 0.000898
N 8.15375 9.88583 19.76976 0.003304 -0.011723 -0.004429
N 5.93 11.16996 19.76016 -0.031827 0.011921 -0.006239
N 8.15375 12.45408 19.7634 0.01779 0.009391 -0.005831
N 5.93 13.73821 19.78309 0.003059 0.020095 -0.002083
N 8.15375 15.02233 19.79907 -0.009003 -0.007028 0.000785
C 0.02026 13.72285 27.81574 -0.002343 0.000344 0.000802
C 0.80493 12.61778 27.65852 0.00683 -0.001387 0.000141
C 5.72138 12.6184 23.05056 0.019488 -0.016376 9.5e-05
C 0.55637 11.4533 28.45756 0.000903 0.000846 0.00059
C 7.07801 12.17614 22.80069 -0.019001 -0.070189 -1.8e-05
C 1.44277 12.24213 26.34447 0.008052 0.002581 0.001114
C 0.35483 10.76381 23.98871 0.026185 -0.006387 0.000134
C 8.82882 13.9368 25.33813 0.000475 0.008708 0.001322
C 5.49669 13.72304 23.88498 0.000296 0.030235 0.000246
C 7.90466 13.99719 24.22006 0.0288 0.009914 -0.000111
C 5.72144 10.28834 23.05129 0.011932 0.002773 0.000187
C 0.75112 12.86222 25.19808 -0.001147 -0.007164 -0.000375
C 8.15485 12.86636 23.37433 0.018694 0.014183 0.000147
C 4.51331 13.93679 27.32159 0.000329 -0.007187 -0.000168
C 3.69599 12.86217 27.46107 0.013462 -0.00071 0.000614
C 8.15489 10.04039 23.3744 0.010096 0.003678 0.000242
C 5.43746 13.99711 28.44022 -0.012233 -0.006108 0.000392
C 3.00435 12.24209 26.31441 -0.00248 -0.00058 -0.00023
C 7.07803 10.73066 22.80041 -0.007599 0.060822 3e-06
C 0.35481 12.14292 23.98865 0.02543 0.007816 0.0005
C 8.5587 14.6089 26.64142 0.007065 0.009092 -0.001098
C 7.09693 14.81471 26.85024 -0.008149 -0.004805 0.003755
C 4.42688 13.72281 24.84341 0.001281 0.013322 7.2e-05
C 5.49677 9.18369 23.88522 -0.002342 -0.015106 0.00017
C 4.78355 14.60884 26.01796 -0.008389 0.005435 0.00119
C 6.61226 14.41639 24.46798 -0.021403 0.01665 0.001147
C 6.2453 14.81459 25.80878 0.007108 -0.005095 -0.003075
C 6.61235 8.49034 24.46823 -0.010151 -0.017625 -0.000464
C 8.45334 11.45326 29.44679 0.002338 0.001505 0.000369
C 3.64212 12.61777 25.00026 -0.016303 -0.007397 0.000406
C 4.46806 1.4791 24.84403 0.007546 -0.006695 0.000771
C 5.25289 2.58408 25.00097 0.012906 -0.004857 6e-05
C 1.2743 2.58345 29.61039 0.005351 -0.009134 0.000527
C 5.00438 3.74857 24.20159 0.013743 -0.002556 0.000674
C 2.6309 3.02576 29.86928 0.018253 0.001283 0.000637
C 5.89065 2.9597 26.3149 0.004578 -0.001589 0.001376
C 4.8027 4.43805 28.67164 -0.000667 -0.001496 0.000355
C 4.38155 1.26507 27.32191 0.001184 0.003713 0.00131
C 1.04953 1.47879 28.77461 0.008103 -7.8e-05 0.000844
C 3.45745 1.20467 28.44058 0.012527 0.006763 0.000275
C 1.27433 4.91354 29.61063 0.005808 0.007388 0.00064
C 5.19898 2.33959 27.46151 -0.0117 -0.000841 -5.6e-05
C 3.70771 2.33552 29.28853 -0.001161 -0.001614 0.000494
C 0.06609 1.26508 25.33789 0.011051 -0.015518 -0.001025
C 8.14385 2.33972 25.19801 -0.007138 0.015958 0.001608
C 3.70773 5.16145 29.28876 0.002989 -0.000965 0.000552
C 0.99027 1.20477 24.22005 -0.021366 -0.032189 0.001026
C 7.45222 2.95976 26.34462 -0.00701 -0.004829 -0.000522
C 2.63092 4.47122 29.86943 0.017706 -0.000398 0.000661
C 4.8027 3.05891 28.67147 -0.001337 0.00145 0.000697
C 4.11134 0.59306 26.01826 0.007432 -0.006829 -0.001033
C 2.64958 0.38731 25.80885 -0.011883 0.007093 0.006841
C 8.87467 1.47904 27.81579 0.002415 -0.001099 6.5e-05
C 1.0496 6.01828 28.77496 0.006331 0.000673 0.000777
C 0.3362 0.59299 26.64137 -0.005757 -0.005038 0.002609
C 2.16506 0.78538 28.19123 -0.001771 0.006737 0.002106
C 1.79796 0.38717 26.85051 0.011161 0.001637 -0.005872
C 2.16514 6.71166 28.19166 -0.00148 -0.004671 0.001528
C 4.00632 3.7486 23.21417 0.012285 0.000979 0.000248
C 8.09004 2.58412 27.65857 -0.005592 -7e-06 0.001206
C 4.42694 9.18385 24.84355 0.001098 -0.01821 0.000433
C 3.64211 10.28883 25.00023 -0.01407 0.008094 2.2e-05
C 7.6207 10.2882 29.61032 -0.005113 -0.008494 0.000374
C 3.89062 11.45332 24.20061 -0.014988 0.000376 0.000265
C 6.2641 10.73051 29.86893 -0.019876 0.000331 0.000405
C 3.00435 10.66445 26.31437 -0.002016 -0.000548 0.000805
C 4.0923 12.1428 28.67106 0.000221 -0.000845 0.000156
C 4.51345 8.96982 27.32161 -7.3e-05 0.007122 0.000803
C 7.84547 9.18354 28.77457 -0.009298 -0.001092 0.000438
C 5.43755 8.90942 28.44028 -0.012652 0.007078 0.000238
C 7.62067 12.61829 29.61029 -0.006697 0.008706 0.000446
C 3.69602 10.04434 27.4611 0.012566 0.000313 -0.000135
C 5.18729 10.04027 29.28825 -0.002829 0.000923 0.000293
C 8.82891 8.96983 25.33818 0.002385 -0.007632 -0.000259
C 0.75115 10.04447 25.19814 -0.000751 0.003767 0.000897
C 5.18727 12.8662 29.28819 -0.002803 -0.002729 0.000324
C 7.90473 8.90952 24.2201 0.024811 -0.020086 0.000556
C 1.44278 10.66451 26.3445 0.008807 -0.003954 -0.000233
C 6.26408 12.17597 29.86892 -0.020617 0.003681 0.000306
C 4.0923 10.76366 28.6711 0.000917 0.001359 0.000413
C 4.78366 8.29781 26.01807 -0.009918 -0.007924 -0.00034
C 6.24542 8.09206 25.80879 0.006926 0.004311 0.003123
C 0.02033 9.18379 27.8158 -0.002575 -0.00033 0.000397
C 7.8454 13.72303 28.77456 -0.008771 0.001317 0.00016
C 8.55881 8.29774 26.6415 0.006111 -0.006801 0.001132
C 6.72994 8.49013 28.19122 0.001118 0.004725 0.001028
C 7.09704 8.09192 26.85038 -0.009541 0.004617 -0.002339
C 6.72986 14.41641 28.19119 0.00112 -0.004275 -0.000457
C 4.88868 11.45335 23.21199 -0.010598 -0.007301 0.000162
C 0.80496 10.28887 27.6585 0.006987 -0.000639 0.000557
C 8.87474 6.0181 27.81612 0.00076 0.000978 0.000667
C 8.09007 4.91303 27.65877 -0.005586 -0.00091 0.000457
C 3.17362 4.91365 23.05328 -0.035269 -0.023827 0.000375
C 8.33863 3.74855 28.45773 -0.000785 -0.001196 0.000555
C 1.81699 4.47139 22.80322 0.035026 -0.056598 1.9e-05
C 7.45223 4.53738 26.34479 -0.007671 0.00288 0.001527
C 8.54017 3.05906 23.98921 -0.03367 0.015718 0.000196
C 0.06618 6.23205 25.33844 0.006694 0.015498 0.000624
C 3.39831 6.01829 23.88613 0.000912 0.040994 0.000348
C 0.99034 6.29244 24.22068 -0.026114 0.034999 0.000484
C 3.17356 2.58359 23.05229 -0.014453 0.017223 0.000363
C 8.14388 5.15747 25.19839 -0.005455 -0.016493 0.000154
C 0.74015 5.16161 23.37481 -0.018866 0.007431 0.000434
C 4.38169 6.23204 27.32228 0.001216 -0.003525 0.000473
C 5.19901 5.15742 27.46172 -0.012578 0.000456 0.001107
C 0.74011 2.33564 23.37381 -0.037796 -0.026128 0.000391
C 3.45754 6.29236 28.44088 0.012923 -0.006793 0.000633
C 5.89065 4.53734 26.3151 0.00423 -0.001143 -0.00024
C 1.81697 3.02591 22.8027 0.033471 0.084635 -4.8e-05
C 8.54019 4.43817 23.98948 -0.041593 -0.0124 0.000771
C 0.3363 6.90415 26.64178 -0.008071 0.007968 0.00105
C 1.79807 7.10996 26.85088 0.009174 -0.0035 -0.002919
C 4.46812 6.01806 24.84467 0.018664 0.000757 0.000541
C 3.39823 1.47894 23.88568 0.00184 -0.039314 0.000224
C 4.11145 6.90409 26.01869 0.00783 0.00723 4.2e-05
C 2.28274 6.71164 24.46868 0.008685 0.020924 -0.000367
C 2.6497 7.10984 25.8093 -0.009753 -0.004267 0.004224
C 2.28265 0.78559 24.4683 0.006116 -0.024581 -0.001197
C 0.44166 3.74851 29.44695 -0.002329 0.000606 0.000756
C 5.25288 4.91302 25.00131 0.00784 0.014148 0.000607
168
energy=-1497.81304658 config_type=nep2xyz pbc="T T T" virial="-19.18883207945258 -0.015698573040624834 -0.03785623199169749 -0.015698573040624834 -27.40953742731744 0.006202433490165125 -0.03785623199169749 0.006202433490165125 -3.982005076089391" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77812 0.003277 0.000582 -0.004527
B 2.965 0.89696 19.78857 -0.005781 0.001442 -0.002051
B 0.74125 4.74933 19.77224 0.003837 0.00939 -0.005614
B 2.965 3.46521 19.75363 0.001997 0.001914 -0.008776
B 0.74125 7.31758 19.79613 0.002462 -0.008214 -0.000195
B 2.965 6.03346 19.78155 -0.011839 0.003939 -0.003514
B 0.74125 9.88583 19.78932 -0.021523 -0.001933 -0.000842
B 2.965 8.60171 19.80408 0.000886 0.008757 0.003342
B 0.74125 12.45408 19.78614 -0.02161 0.002588 -0.001499
B 2.965 11.16996 19.80269 0.002757 0.002892 0.002812
B 0.74125 15.02233 19.80027 -0.003695 -0.00137 0.000343
B 2.965 13.73821 19.80364 0.001648 -0.015112 0.003036
B 5.18875 2.18108 19.79121 -0.001655 0.004743 -0.001087
B 7.4125 0.89696 19.80249 0.016134 0.000986 0.001501
B 5.18875 4.74933 19.79051 -0.000399 -0.003568 -0.001304
B 7.4125 3.46521 19.79857 0.005703 0.001469 3.3e-05
B 5.18875 7.31758 19.80289 0.00299 0.006591 0.002847
B 7.4125 6.03346 19.80317 0.014868 -0.001292 0.001836
B 5.18875 9.88583 19.78927 0.007915 0.017506 -0.000452
B 7.4125 8.60171 19.78792 0.016502 0.025243 -0.000844
B 5.18875 12.45408 19.78308 0.006943 -0.02091 -0.002079
B 7.4125 11.16996 19.75996 0.001659 -0.006394 -0.007163
B 5.18875 15.02233 19.79847 0.009382 -0.014499 0.001488
B 7.4125 13.73821 19.77934 0.014206 -0.016125 -0.002996
N 1.4825 0.89696 19.79185 0.01109 0.013457 -0.00216
N 3.70625 2.18108 19.76975 0.003742 0.008414 -0.005822
N 1.4825 3.46521 19.74433 -0.019829 -0.007112 -0.009312
N 3.70625 4.74933 19.76533 0.001396 -0.02205 -0.006552
N 1.4825 6.03346 19.77962 0.010919 -0.000522 -0.00455
N 3.70625 7.31758 19.80104 -0.005618 -0.01958 0.00222
N 1.4825 8.60171 19.80125 -0.004289 0.004916 0.001988
N 3.70625 9.88583 19.80278 0.005468 -0.001581 0.003623
N 1.4825 11.16996 19.79742 -0.003829 0.000698 0.00051
N 3.70625 12.45408 19.79928 0.004297 0.004361 0.002634
N 1.4825 13.73821 19.80146 -0.00772 -0.004121 0.001929
N 3.70625 15.02233 19.80257 -0.00203 0.015994 0.002346
N 5.93 0.89696 19.80292 -0.012724 0.006043 0.002237
N 8.15375 2.18108 19.79694 0.010464 0.003305 -0.00024
N 5.93 3.46521 19.79683 -0.009321 -0.000712 -0.00015
N 8.15375 4.74933 19.79519 0.014293 -0.006149 -0.000788
N 5.93 6.03346 19.80445 -0.014861 -0.008347 0.002817
N 8.15375 7.31758 19.80039 -0.005019 0.001393 0.001379
N 5.93 8.60171 19.79569 0.00179 -0.001599 0.00108
N 8.15375 9.88583 19.76591 0.000613 -0.016475 -0.004915
N 5.93 11.16996 19.76454 -0.017366 0.013151 -0.005813
N 8.15375 12.45408 19.75773 0.018334 0.017739 -0.006212
N 5.93 13.73821 19.78401 0.003098 0.017972 -0.001731
N 8.15375 15.02233 19.79843 -0.009968 -0.010904 0.000391
C 0.24264 13.72285 27.81571 -0.002562 2.7e-05 0.000979
C 1.02731 12.61778 27.65851 0.006742 -0.001582 -0.000109
C 5.94376 12.6184 23.05034 0.013119 -0.01077 0.000125
C 0.77875 11.4533 28.45758 0.000881 0.001129 0.000769
C 7.30038 12.17614 22.79987 -0.020957 -0.065025 -4.6e-05
C 1.66514 12.24213 26.34447 0.007965 0.002493 0.001386
C 0.57721 10.76381 23.98875 0.022423 -0.010473 0.000154
C 0.15619 13.9368 25.33802 -0.000849 0.009255 0.00184
C 5.71906 13.72304 23.88498 0.003302 0.025311 9.2e-05
C 8.12703 13.99719 24.21989 0.029116 0.005683 -0.000412
C 5.94382 10.28834 23.05142 0.012718 0.002837 0.000217
C 0.97349 12.86222 25.19805 -0.001431 -0.008127 -0.000757
C 8.37723 12.86636 23.37408 0.027173 0.015624 0.000171
C 4.73568 13.93679 27.32163 0.000475 -0.007155 -4.9e-05
C 3.91837 12.86217 27.46114 0.01333 -0.000647 0.00062
C 8.37727 10.04039 23.37435 0.015491 0.005055 0.000258
C 5.65983 13.99711 28.44024 -0.012062 -0.005637 0.000322
C 3.22672 12.24209 26.31448 -0.002915 -0.000457 -0.000258
C 7.3004 10.73066 22.79969 -0.012854 0.048196 -5e-06
C 0.57718 12.14292 23.98864 0.019161 0.010241 0.000567
C 8.78107 14.6089 26.64138 0.006771 0.008312 -0.001419
C 7.31931 14.81471 26.85023 -0.008235 -0.004041 0.003045
C 4.64925 13.72281 24.84344 0.001495 0.012368 0.000199
C 5.71914 9.18369 23.88534 0.001099 -0.012637 5.8e-05
C 5.00593 14.60884 26.01798 -0.00794 0.005291 0.000865
C 6.83463 14.41639 24.46794 -0.022473 0.017721 0.001071
C 6.46768 14.81459 25.80875 0.008087 -0.005496 -0.002426
C 6.83472 8.49034 24.46827 -0.012743 -0.017708 -0.000373
C 8.67572 11.45326 29.4468 0.002392 0.001574 0.00027
C 3.86449 12.61777 25.00036 -0.016041 -0.006506 0.000294
C 4.69044 1.4791 24.84408 0.007141 -0.006366 0.000643
C 5.47527 2.58408 25.001 0.013765 -0.002733 8.9e-05
C 1.49668 2.58345 29.61043 0.005173 -0.009005 0.000581
C 5.22675 3.74857 24.20166 0.012542 -0.00145 0.000627
C 2.85328 3.02576 29.8693 0.018197 0.000587 0.000632
C 6.11303 2.9597 26.31494 0.004472 -0.001439 0.001537
C 5.02508 4.43805 28.6717 -0.000465 -0.001624 0.00041
C 4.60393 1.26507 27.32195 0.001553 0.003799 0.001056
C 1.27191 1.47879 28.77464 0.007862 8.4e-05 0.000901
C 3.67983 1.20467 28.4406 0.012092 0.006893 0.000373
C 1.49671 4.91354 29.61071 0.005556 0.006949 0.000686
C 5.42135 2.33959 27.46155 -0.011516 -0.000624 -5.2e-05
C 3.93009 2.33552 29.28857 -0.000982 -0.001302 0.000543
C 0.28846 1.26508 25.33792 0.011107 -0.014259 -0.001238
C 8.36623 2.33972 25.19799 -0.007291 0.015176 0.002064
C 3.93011 5.16145 29.28884 0.003486 -0.001433 0.000627
C 1.21264 1.20477 24.22013 -0.021467 -0.031672 0.001205
C 7.6746 2.95976 26.34463 -0.00689 -0.005057 -0.00097
C 2.8533 4.47122 29.86947 0.0176 -0.000104 0.000697
C 5.02508 3.05891 28.67151 -0.001244 0.001372 0.000744
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C 2.87196 0.38731 25.80895 -0.009998 0.006472 0.004352
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C 0.28856 6.23205 25.33853 0.006818 0.014465 0.001134
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C 2.02044 7.10996 26.85101 0.007854 -0.003436 -0.00213
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C 3.62061 1.47894 23.88574 0.005439 -0.040802 0.000339
C 4.33382 6.90409 26.01881 0.008769 0.007815 0.000157
C 2.50512 6.71164 24.46892 0.001232 0.018787 -4e-05
C 2.87207 7.10984 25.80948 -0.008333 -0.003518 0.003385
C 2.50503 0.78559 24.4684 0.003054 -0.02165 -0.000614
C 0.66403 3.74851 29.44698 -0.002368 0.000417 0.000776
C 5.47526 4.91302 25.00133 0.009706 0.009499 0.000748
168
energy=-1497.8128289 config_type=nep2xyz pbc="T T T" virial="-19.191184726638507 -0.01937725773134346 -0.03015665938321664 -0.01937725773134346 -27.433876631840917 0.01095050326539498 -0.03015665938321664 0.01095050326539498 -3.969172455075256" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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B 2.965 0.89696 19.78787 -0.006346 0.005142 -0.002093
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B 0.74125 7.31758 19.79642 0.004945 -0.010929 -3e-06
B 2.965 6.03346 19.78088 -0.013631 0.000884 -0.003612
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B 2.965 8.60171 19.80463 -0.000746 0.005484 0.00363
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B 2.965 11.16996 19.80427 0.003858 0.002226 0.003519
B 0.74125 15.02233 19.80002 -0.000523 0.001532 0.000347
B 2.965 13.73821 19.80423 0.000301 -0.011423 0.003506
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B 7.4125 0.89696 19.80267 0.014329 0.003948 0.001559
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B 7.4125 3.46521 19.79901 0.002242 0.002363 0.000388
B 5.18875 7.31758 19.8024 0.002905 0.002618 0.002752
B 7.4125 6.03346 19.80309 0.013264 -0.004055 0.001934
B 5.18875 9.88583 19.79121 0.008622 0.013706 8.4e-05
B 7.4125 8.60171 19.78668 0.015536 0.021641 -0.001348
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B 5.18875 15.02233 19.79858 0.008635 -0.011032 0.001523
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C 0.51093 6.23205 25.33851 0.006864 0.012321 -0.001614
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C 0.08994 4.43817 23.98913 -0.03702 -0.001822 -0.00016
C 0.78105 6.90415 26.64186 -0.007061 0.006963 0.001014
C 2.24282 7.10996 26.851 0.004617 -0.003948 0.005379
C 4.91287 6.01806 24.84483 0.013792 0.006132 -0.001484
C 3.84298 1.47894 23.88577 0.010197 -0.041205 0.00142
C 4.5562 6.90409 26.01882 0.010125 0.008282 0.004109
C 2.72749 6.71164 24.46908 -0.007701 0.017409 0.000533
C 3.09445 7.10984 25.80964 -0.005006 -0.0034 -0.003625
C 2.7274 0.78559 24.46845 -0.001295 -0.020045 0.002075
C 0.88641 3.74851 29.44692 -0.002637 0.000399 0.000496
C 5.69763 4.91302 25.00128 0.011973 0.00417 0.002357
168
energy=-1497.81326908 config_type=nep2xyz pbc="T T T" virial="-19.171893019713924 -0.018607300470495376 -0.01035164761806869 -0.018607300470495376 -27.42784529996427 0.00945336414707926 -0.01035164761806869 0.00945336414707926 -3.971225674437518" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.78575 0.011577 0.012355 -0.003202
B 2.965 0.89696 19.7876 -0.006362 0.00951 -0.001968
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B 2.965 3.46521 19.75672 -0.013647 0.003028 -0.009973
B 0.74125 7.31758 19.79699 0.007859 -0.013138 0.000574
B 2.965 6.03346 19.78064 -0.014732 -0.002609 -0.003541
B 0.74125 9.88583 19.78669 -0.010102 -0.007395 -0.002095
B 2.965 8.60171 19.80477 -0.002984 0.002787 0.004485
B 0.74125 12.45408 19.78174 -0.007145 0.007667 -0.002921
B 2.965 11.16996 19.80491 0.003889 0.001882 0.00407
B 0.74125 15.02233 19.79998 0.003095 0.003539 0.000835
B 2.965 13.73821 19.80427 -0.001894 -0.007705 0.004242
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B 7.4125 0.89696 19.80279 0.012382 0.007038 0.002093
B 5.18875 4.74933 19.78497 -0.00235 -0.002878 -0.002783
B 7.4125 3.46521 19.79916 -0.00103 0.003098 0.000983
B 5.18875 7.31758 19.80168 0.002605 -0.001654 0.00272
B 7.4125 6.03346 19.80287 0.011448 -0.006855 0.002403
B 5.18875 9.88583 19.79234 0.008162 0.009145 0.000244
B 7.4125 8.60171 19.78597 0.013632 0.016954 -0.001912
B 5.18875 12.45408 19.78757 0.005265 -0.012284 -0.001452
B 7.4125 11.16996 19.7562 -0.004222 -0.011078 -0.00931
B 5.18875 15.02233 19.79858 0.007194 -0.00706 0.001664
B 7.4125 13.73821 19.77699 0.011017 -0.008026 -0.004278
N 1.4825 0.89696 19.79394 0.009456 0.002652 -0.001156
N 3.70625 2.18108 19.76539 0.009193 -0.007391 -0.007523
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C 4.28773 1.47894 23.88586 0.016016 -0.035122 4.8e-05
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C 6.14238 4.91302 25.00127 0.011075 -0.002962 -0.000995
168
energy=-1497.81538729 config_type=nep2xyz pbc="T T T" virial="-19.12116139130471 -0.014671963359494054 -0.004576968161708058 -0.014671963359494054 -27.40491768375235 0.0073573693814372515 -0.004576968161708058 0.0073573693814372515 -4.047152015437815" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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B 7.4125 0.89696 19.8034 0.007963 0.009187 0.002266
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B 7.4125 3.46521 19.79896 -0.005225 0.003443 0.001363
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B 5.18875 9.88583 19.79366 0.004248 0.004646 9.4e-05
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C 2.92887 4.47139 22.80227 0.045326 -0.078001 1.4e-05
C 8.56411 4.53738 26.34397 -0.00377 0.003668 0.00313
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C 1.17806 6.23205 25.33776 0.007892 0.012488 0.002041
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C 3.76157 7.10984 25.80948 -0.00467 -0.004254 -0.003199
C 3.39453 0.78559 24.46841 -0.010706 -0.021679 0.001641
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C 6.36476 4.91302 25.00127 0.011103 -0.002464 0.002878
168
energy=-1497.81597116 config_type=nep2xyz pbc="T T T" virial="-19.105377267457328 -0.0099238935842642 -0.013089273434417436 -0.0099238935842642 -27.391571757897648 0.007614021801719947 -0.013089273434417436 0.007614021801719947 -4.0564342779713725" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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B 2.965 0.89696 19.78763 -0.004145 0.016113 -0.001159
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B 2.965 3.46521 19.76182 -0.024952 -0.003231 -0.008829
B 0.74125 7.31758 19.79957 0.015798 -0.005642 0.002192
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B 2.965 8.60171 19.80466 -0.011508 0.00391 0.003875
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B 2.965 11.16996 19.80285 -0.005676 0.001579 0.002927
B 0.74125 15.02233 19.8 0.014595 -0.004707 0.002029
B 2.965 13.73821 19.80287 -0.012936 -0.00432 0.003522
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B 7.4125 11.16996 19.75471 -0.005879 -0.007377 -0.009549
B 5.18875 15.02233 19.79899 0.001074 -0.000764 0.001242
B 7.4125 13.73821 19.77929 0.001615 -0.002045 -0.00391
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C 1.35451 13.72285 27.81541 -0.001963 -0.001503 8e-05
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168
energy=-1497.81504381 config_type=nep2xyz pbc="T T T" virial="-19.132924627234335 0.000898283470989432 -0.03623076666324042 0.000898283470989432 -27.42733199512371 0.004534192758327608 -0.03623076666324042 0.004534192758327608 -4.045227122285695" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.80249 0.014117 0.000763 0.002407
B 2.965 0.89696 19.78778 -0.00093 0.014823 -0.001155
B 0.74125 4.74933 19.79963 0.013564 -0.001097 0.001434
B 2.965 3.46521 19.7624 -0.017145 -0.007533 -0.007287
B 0.74125 7.31758 19.80054 0.018217 0.00569 0.001993
B 2.965 6.03346 19.78091 -0.0067 -0.008258 -0.002761
B 0.74125 9.88583 19.77851 0.019346 0.002785 -0.004463
B 2.965 8.60171 19.8033 -0.014137 0.008305 0.002345
B 0.74125 12.45408 19.77222 0.026996 0.003266 -0.005298
B 2.965 11.16996 19.79719 -0.018573 0.001605 0.000685
B 0.74125 15.02233 19.79882 0.019638 -0.016911 0.001757
B 2.965 13.73821 19.80024 -0.019046 -0.006206 0.001914
B 5.18875 2.18108 19.77476 0.00614 -0.004227 -0.004971
B 7.4125 0.89696 19.80365 0.000131 0.00332 0.003137
B 5.18875 4.74933 19.76725 0.012299 0.004969 -0.006284
B 7.4125 3.46521 19.79769 -0.00485 0.002376 0.00135
B 5.18875 7.31758 19.79774 -0.000521 -0.005349 0.000196
B 7.4125 6.03346 19.80092 -0.000887 -0.004974 0.002174
B 5.18875 9.88583 19.79692 -0.001356 0.010603 0.000582
B 7.4125 8.60171 19.78837 0.00598 0.010979 -0.001346
B 5.18875 12.45408 19.79519 -0.002767 -0.007841 9.8e-05
B 7.4125 11.16996 19.75987 -0.006311 0.002031 -0.007507
B 5.18875 15.02233 19.79968 -0.001133 1e-06 0.001275
B 7.4125 13.73821 19.78361 -0.000351 -0.005944 -0.002251
N 1.4825 0.89696 19.80014 0.007996 0.005523 0.002452
N 3.70625 2.18108 19.75847 -0.00635 -0.019076 -0.007599
N 1.4825 3.46521 19.79068 0.023735 0.006207 -0.001737
N 3.70625 4.74933 19.74702 0.000835 0.021142 -0.00903
N 1.4825 6.03346 19.79579 0.012391 -0.001177 0.000935
N 3.70625 7.31758 19.79961 0.004038 -0.02106 0.000718
N 1.4825 8.60171 19.7961 -0.010294 0.007704 0.000797
N 3.70625 9.88583 19.80438 0.007814 -0.000732 0.003255
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N 3.70625 12.45408 19.8024 0.012785 0.000248 0.002534
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N 3.70625 15.02233 19.80124 0.003575 0.010593 0.001922
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N 5.93 13.73821 19.7961 0.011042 -0.001222 0.000303
N 8.15375 15.02233 19.80113 -0.010082 -0.014984 0.002085
C 1.79926 13.72285 27.81559 -0.001843 -0.001788 0.001023
C 2.58393 12.61778 27.65809 0.002127 -0.00067 -0.000443
C 7.50038 12.6184 23.05392 0.013313 -0.022952 -9.5e-05
C 2.33537 11.4533 28.45714 -0.000744 1.7e-05 0.000939
C 8.85701 12.17614 22.80028 -0.027042 -0.07635 4e-06
C 3.22177 12.24213 26.34392 0.002459 0.003552 0.002686
C 2.13383 10.76381 23.98739 0.039001 -0.015854 -8.4e-05
C 1.71282 13.9368 25.33767 -0.00665 0.010752 0.00135
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C 8.85703 10.73066 22.80065 -0.041284 0.071118 8e-06
C 2.13381 12.14292 23.98738 0.032955 0.011528 0.000817
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C 6.24706 1.4791 24.84453 0.019561 -0.00751 0.001402
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C 3.0533 2.58345 29.61016 0.003458 -0.006706 0.000628
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C 6.5817 4.43805 28.67161 0.000326 -0.000417 0.000115
C 6.16055 1.26507 27.32209 0.000932 0.00522 0.002452
C 2.82853 1.47879 28.77441 0.005042 0.000663 0.000227
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C 2.1152 0.59299 26.64116 -0.00874 -0.008205 -0.000606
C 3.94406 0.78538 28.19127 -0.0013 0.004529 -0.001046
C 3.57696 0.38717 26.85035 0.003908 0.004739 0.007209
C 3.94414 6.71166 28.19135 -0.00194 -0.004418 -0.000442
C 5.78532 3.7486 23.21508 -0.024816 -0.001553 -0.000225
C 0.97404 2.58412 27.65801 -0.002398 -0.000203 0.001112
C 6.20594 9.18385 24.8445 -0.014315 -0.011369 -0.000922
C 5.42111 10.28883 25.00122 -0.006442 -0.00447 0.001234
C 0.5047 10.2882 29.61021 -0.003417 -0.006442 0.000674
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C 6.29245 8.96982 27.32213 -0.002058 0.004401 -0.001643
C 0.72947 9.18354 28.77446 -0.004963 0.000847 0.000537
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C 5.8713 10.76366 28.67158 0.00013 0.001186 0.000577
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C 8.02442 8.09206 25.8092 0.002045 0.004683 -0.006943
C 1.79933 9.18379 27.81552 -0.003025 -2.7e-05 0.000211
C 0.7294 13.72303 28.77459 -0.003654 -0.000643 0.000319
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C 2.58396 10.28887 27.65801 0.001713 -0.000474 0.000901
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C 0.97407 4.91303 27.65806 -0.003017 -0.000973 -0.000921
C 4.95262 4.91365 23.05285 0.008642 -0.013702 0.000167
C 1.22263 3.74855 28.45712 0.000179 0.000281 0.000825
C 3.59599 4.47139 22.80031 0.034196 -0.06756 -0.000132
C 0.33623 4.53738 26.34389 -0.00276 0.003121 0.00373
C 1.42417 3.05906 23.98758 -0.036369 -0.011974 -0.000275
C 1.84518 6.23205 25.33745 0.008246 0.014201 0.004095
C 5.17731 6.01829 23.88603 0.003437 0.015173 -0.000261
C 2.76934 6.29244 24.21988 -0.006737 0.016806 -0.0014
C 4.95256 2.58359 23.05303 -0.006532 0.026709 0.000139
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C 2.51915 5.16161 23.37252 -0.054891 0.026866 0.000329
C 6.16069 6.23204 27.32217 -0.00019 -0.005534 0.000638
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C 2.51911 2.33564 23.37296 -0.043972 -0.016819 0.000185
C 5.23654 6.29236 28.44075 0.012145 -0.004374 0.000184
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C 3.59597 3.02591 22.79979 0.034433 0.046946 -6.3e-05
C 1.42419 4.43817 23.98753 -0.028138 0.005056 0.001159
C 2.1153 6.90415 26.64122 -0.006233 0.005853 -0.002891
C 3.57707 7.10996 26.85052 0.003706 -0.001641 0.005128
C 6.24712 6.01806 24.84436 0.009623 0.014411 0.000843
C 5.17723 1.47894 23.88595 -2.7e-05 -0.018357 -0.000247
C 5.89045 6.90409 26.01861 0.007734 0.006634 9.3e-05
C 4.06174 6.71164 24.46848 -0.006816 0.029268 0.00199
C 4.4287 7.10984 25.80915 -0.007432 -0.006855 -0.00424
C 4.06165 0.78559 24.46832 0.003763 -0.027088 0.002371
C 2.22066 3.74851 29.44644 -0.002882 0.001014 0.000342
C 7.03188 4.91302 25.0013 0.007515 0.003344 0.000271
168
energy=-1497.81389606 config_type=nep2xyz pbc="T T T" virial="-19.16291018500403 0.007870674222002641 -0.03417754730097886 0.007870674222002641 -27.44786418874632 0.0049619467921321 -0.03417754730097886 0.0049619467921321 -4.001553435434256" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.80305 0.011976 -0.001329 0.003023
B 2.965 0.89696 19.78814 0.00126 0.014759 -0.001336
B 0.74125 4.74933 19.80074 0.010675 6.9e-05 0.002048
B 2.965 3.46521 19.76354 -0.010388 -0.00762 -0.007955
B 0.74125 7.31758 19.8004 0.017776 0.008979 0.002145
B 2.965 6.03346 19.7819 -0.002955 -0.009448 -0.003015
B 0.74125 9.88583 19.7758 0.021954 0.002841 -0.005533
B 2.965 8.60171 19.8021 -0.013532 0.008574 0.001956
B 0.74125 12.45408 19.76994 0.026699 0.004686 -0.006805
B 2.965 11.16996 19.79327 -0.023295 0.001611 -0.000163
B 0.74125 15.02233 19.79777 0.020431 -0.02047 0.001673
B 2.965 13.73821 19.79855 -0.02011 -0.005744 0.001423
B 5.18875 2.18108 19.77433 0.00505 -0.003007 -0.005733
B 7.4125 0.89696 19.80333 -0.002245 0.002656 0.003739
B 5.18875 4.74933 19.76618 0.013532 0.001863 -0.00752
B 7.4125 3.46521 19.79703 -0.005262 0.002043 0.00161
B 5.18875 7.31758 19.79717 6.5e-05 -0.005964 0.000353
B 7.4125 6.03346 19.80002 -0.003558 -0.005037 0.002446
B 5.18875 9.88583 19.79833 -0.001693 0.011987 0.001163
B 7.4125 8.60171 19.78958 0.006908 0.011994 -0.000985
B 5.18875 12.45408 19.79719 -0.002536 -0.008791 0.000673
B 7.4125 11.16996 19.76435 -0.006153 0.005782 -0.007395
B 5.18875 15.02233 19.80004 -0.001326 0.00158 0.00178
B 7.4125 13.73821 19.78611 0.000645 -0.007971 -0.001838
N 1.4825 0.89696 19.80024 0.007786 0.006579 0.002556
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N 3.70625 7.31758 19.79933 0.003938 -0.019349 0.000593
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N 5.93 8.60171 19.79998 0.008841 -0.001402 0.001352
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N 5.93 13.73821 19.79847 0.011601 -0.000783 0.001151
N 8.15375 15.02233 19.8012 -0.009373 -0.012135 0.002485
C 2.02164 13.72285 27.81571 -0.001433 -0.001563 0.00064
C 2.80631 12.61778 27.6582 0.002162 -0.000681 0.000577
C 7.72276 12.6184 23.05421 0.023071 -0.026385 0.000115
C 2.55775 11.4533 28.45723 -0.000639 -0.000281 0.001029
C 0.18438 12.17614 22.80049 -0.02773 -0.073588 0.000129
C 3.44414 12.24213 26.3441 0.003422 0.003596 7.8e-05
C 2.35621 10.76381 23.98761 0.036095 -0.016751 0.000721
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C 0.1844 10.73066 22.80086 -0.041744 0.076874 7.1e-05
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C 7.49814 9.18369 23.88598 -0.015737 -0.03271 0.000795
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C 8.24668 14.81459 25.80933 0.005333 -0.003534 0.002353
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C 5.64349 12.61777 25.00119 -0.011619 -0.004005 0.000532
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C 5.45883 1.20467 28.44066 0.01073 0.005762 0.000802
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C 6.4695 6.01806 24.84416 0.007518 0.012731 0.000735
C 5.39961 1.47894 23.88589 -0.003787 -0.016549 0.000151
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C 4.28412 6.71164 24.46835 0.001038 0.026905 -0.000989
C 4.65107 7.10984 25.80894 -0.010804 -0.006141 0.005751
C 4.28403 0.78559 24.46834 0.008734 -0.025495 0.000814
C 2.44303 3.74851 29.44652 -0.002696 0.001295 0.000535
C 7.25426 4.91302 25.00114 0.008695 0.002325 -0.000336
168
energy=-1497.81309022 config_type=nep2xyz pbc="T T T" virial="-19.194692309715705 0.013003722627656538 -0.02382589968291017 0.013003722627656538 -27.46861025938584 0.005346925422556143 -0.02382589968291017 0.005346925422556143 -3.9725089365389312" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.80321 0.009523 -0.001078 0.003155
B 2.965 0.89696 19.7887 0.004022 0.016108 -0.001253
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B 2.965 3.46521 19.76489 -0.003576 -0.00645 -0.007447
B 0.74125 7.31758 19.80028 0.016447 0.009543 0.001877
B 2.965 6.03346 19.78316 0.00098 -0.011944 -0.002947
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B 2.965 8.60171 19.80108 -0.011704 0.006985 0.001177
B 0.74125 12.45408 19.76703 0.024113 0.008994 -0.007935
B 2.965 11.16996 19.78905 -0.024594 0.000942 -0.001616
B 0.74125 15.02233 19.79688 0.020206 -0.02138 0.001391
B 2.965 13.73821 19.7971 -0.01908 -0.003941 0.000594
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B 7.4125 0.89696 19.80312 -0.003974 0.004064 0.003913
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B 7.4125 3.46521 19.79617 -0.007848 0.002323 0.001386
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B 7.4125 6.03346 19.79922 -0.006241 -0.006709 0.002327
B 5.18875 9.88583 19.7997 -0.001159 0.011514 0.001515
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B 7.4125 11.16996 19.76837 -0.005972 0.007556 -0.007178
B 5.18875 15.02233 19.80054 -0.001046 0.004352 0.00214
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N 1.4825 6.03346 19.79843 0.012093 -0.002344 0.001607
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C 1.41882 4.91303 27.65825 -0.004359 -0.001602 0.000721
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C 1.66738 3.74855 28.45736 -0.000672 0.001292 0.000295
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C 8.1144 4.53734 26.3148 0.004341 0.000309 0.000768
C 4.04072 3.02591 22.79966 0.027386 0.043056 -8.6e-05
C 1.86894 4.43817 23.98795 -0.017274 0.012047 0.000221
C 2.56005 6.90415 26.6412 -0.006351 0.006998 0.002239
C 4.02182 7.10996 26.85048 0.008587 -0.001066 -0.006954
C 6.69187 6.01806 24.84394 0.004345 0.011884 0.000977
C 5.62198 1.47894 23.88581 -0.005051 -0.015652 7.9e-05
C 6.3352 6.90409 26.01834 0.006857 0.006056 -0.001894
C 4.50649 6.71164 24.46823 0.007737 0.023815 -0.001385
C 4.87345 7.10984 25.80884 -0.011555 -0.005766 0.007528
C 4.5064 0.78559 24.46838 0.011496 -0.023097 0.000753
C 2.66541 3.74851 29.44663 -0.002681 0.001515 0.000589
C 7.47663 4.91302 25.00091 0.01094 -0.000958 -0.0004
168
energy=-1497.81307568 config_type=nep2xyz pbc="T T T" virial="-19.211032513807034 0.017281262965701455 -0.00996666898764465 0.017281262965701455 -27.475839302557134 0.0029515028332509903 -0.00996666898764465 0.0029515028332509903 -3.971995631698366" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.80317 0.00689 0.000971 0.002968
B 2.965 0.89696 19.78959 0.006975 0.018418 -0.001032
B 0.74125 4.74933 19.8015 0.003884 -0.002764 0.002213
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B 0.74125 7.31758 19.8003 0.014441 0.007563 0.001455
B 2.965 6.03346 19.78488 0.005043 -0.015473 -0.002221
B 0.74125 9.88583 19.76941 0.020416 -0.005196 -0.006999
B 2.965 8.60171 19.80023 -0.008732 0.003891 0.000391
B 0.74125 12.45408 19.76381 0.020093 0.015125 -0.008287
B 2.965 11.16996 19.78471 -0.021786 -0.000339 -0.00276
B 0.74125 15.02233 19.7962 0.018602 -0.019095 0.000819
B 2.965 13.73821 19.79587 -0.016413 -0.000799 -0.00033
B 5.18875 2.18108 19.77407 -0.000154 0.00466 -0.004941
B 7.4125 0.89696 19.80289 -0.005006 0.007159 0.003537
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B 7.4125 3.46521 19.79472 -0.011774 0.002565 0.001034
B 5.18875 7.31758 19.79679 0.001606 -0.011795 0.000616
B 7.4125 6.03346 19.79833 -0.008244 -0.009569 0.001997
B 5.18875 9.88583 19.80093 -0.000653 0.009303 0.001628
B 7.4125 8.60171 19.79189 0.009359 0.011101 -0.000419
B 5.18875 12.45408 19.80061 -1.9e-05 -0.006521 0.00139
B 7.4125 11.16996 19.77194 -0.005658 0.008118 -0.006079
B 5.18875 15.02233 19.80116 -0.000794 0.007804 0.002372
B 7.4125 13.73821 19.79003 0.004839 -0.007911 -0.000839
N 1.4825 0.89696 19.80069 0.00579 0.002677 0.002346
N 3.70625 2.18108 19.7627 -0.009104 -0.00718 -0.007262
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N 3.70625 4.74933 19.75266 -0.021282 0.01067 -0.008501
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168
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C 7.55718 11.45335 23.21423 -0.015938 0.006609 0.000127
C 3.47346 10.28887 27.65838 0.003785 0.00019 0.001089
C 2.64824 6.0181 27.81559 0.002083 -0.000271 0.000614
C 1.86357 4.91303 27.65836 -0.006041 -0.001782 0.000169
C 5.84212 4.91365 23.05092 -0.008993 -0.017292 0.000328
C 2.11213 3.74855 28.45747 -0.000846 0.001751 0.000644
C 4.48549 4.47139 22.79846 0.017591 -0.068886 -9.1e-05
C 1.22573 4.53738 26.3443 -0.006857 0.002951 0.000493
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C 2.73468 6.23205 25.33784 0.00079 0.007762 0.001363
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C 3.40861 2.33564 23.37437 -0.016474 0.004619 0.000413
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C 8.55915 4.53734 26.31448 0.002955 -0.000438 0.00096
C 4.48547 3.02591 22.79983 0.019765 0.047589 -5.5e-05
C 2.31369 4.43817 23.98812 -0.015116 0.017918 0.000435
C 3.0048 6.90415 26.64124 -0.006778 0.00811 0.00036
C 4.46657 7.10996 26.85031 0.009084 -0.002992 -0.006006
C 7.13662 6.01806 24.84351 -0.001219 0.012766 0.001068
C 6.06673 1.47894 23.88562 -9.3e-05 -0.016348 -0.000332
C 6.77995 6.90409 26.01805 0.007518 0.005929 -0.001913
C 4.95124 6.71164 24.46802 0.013315 0.017755 -0.000877
C 5.3182 7.10984 25.80867 -0.010615 -0.004763 0.006423
C 4.95115 0.78559 24.46841 0.008201 -0.018414 -0.000452
C 3.11016 3.74851 29.44672 -0.002815 0.001796 0.000339
C 7.92138 4.91302 25.00039 0.015492 -0.009579 -0.000597
168
energy=-1497.81515839 config_type=nep2xyz pbc="T T T" virial="-19.180405324986634 0.019505583941484807 0.015228043603439894 0.019505583941484807 -27.40209450712924 0.001283262101413474 0.015228043603439894 0.001283262101413474 -4.027945859319993" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.80249 0.001881 0.006221 0.002653
B 2.965 0.89696 19.79267 0.013169 0.022664 -8.2e-05
B 0.74125 4.74933 19.80107 -0.002552 -0.007359 0.002223
B 2.965 3.46521 19.77434 0.014874 0.001022 -0.004013
B 0.74125 7.31758 19.80083 0.009994 0.000509 0.001282
B 2.965 6.03346 19.78998 0.012402 -0.02124 -0.000842
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B 2.965 8.60171 19.79905 -0.001848 -0.001556 -9.6e-05
B 0.74125 12.45408 19.7597 0.011797 0.026489 -0.008324
B 2.965 11.16996 19.77725 -0.00456 -0.002395 -0.003981
B 0.74125 15.02233 19.79573 0.014348 -0.011108 0.00033
B 2.965 13.73821 19.794 -0.00868 0.004595 -0.001202
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B 7.4125 0.89696 19.80146 -0.004447 0.014328 0.002508
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B 7.4125 3.46521 19.78844 -0.019059 0.001848 -0.000541
B 5.18875 7.31758 19.7971 0.002176 -0.0189 0.001135
B 7.4125 6.03346 19.7956 -0.008548 -0.014604 0.001184
B 5.18875 9.88583 19.80206 -0.00101 0.003147 0.001744
B 7.4125 8.60171 19.7943 0.009623 0.007263 0.000113
B 5.18875 12.45408 19.80218 0.001394 -0.002295 0.001573
B 7.4125 11.16996 19.77827 -0.005184 0.005621 -0.004496
B 5.18875 15.02233 19.80234 -0.002095 0.012795 0.002706
B 7.4125 13.73821 19.7929 0.007647 -0.004429 -0.000164
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N 1.4825 3.46521 19.79674 0.009923 0.001441 0.00079
N 3.70625 4.74933 19.76226 -0.024805 0.000886 -0.005863
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N 3.70625 7.31758 19.80059 -0.002583 0.000303 0.001155
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N 8.15375 12.45408 19.76731 -0.003538 -0.013255 -0.006785
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N 8.15375 15.02233 19.80148 -0.00586 -0.012916 0.002228
C 2.91114 13.72285 27.816 -0.001075 7.8e-05 0.000403
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C 1.07388 12.17614 22.80214 -0.041904 -0.047315 4.1e-05
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C 5.05593 0.78538 28.19132 -0.001307 0.004524 0.000971
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C 6.98317 12.1428 28.67174 3e-05 -0.00137 0.000501
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C 2.3345 3.74855 28.45746 -0.000984 0.001705 0.000369
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C 8.78153 4.53734 26.31439 0.002623 -0.000514 1e-05
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C 2.53607 4.43817 23.98812 -0.019119 0.016425 0.000206
C 3.22718 6.90415 26.64122 -0.00711 0.008759 0.000207
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C 6.28911 1.47894 23.88554 0.003761 -0.018321 0.000404
C 7.00232 6.90409 26.01794 0.008091 0.005759 0.000986
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C 5.54057 7.10984 25.80868 -0.008139 -0.005075 -0.000987
C 5.17353 0.78559 24.46839 0.004393 -0.018206 -0.000599
C 3.33253 3.74851 29.4467 -0.00276 0.00182 0.000346
C 8.14376 4.91302 25.00024 0.016544 -0.0112 0.00055
168
energy=-1497.81642407 config_type=nep2xyz pbc="T T T" virial="-19.127235498584735 0.01890672829415852 0.018821177487397624 0.01890672829415852 -27.338359156092373 0.004405866548186262 0.018821177487397624 0.004405866548186262 -4.054509384819252" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.80172 0.000119 0.00745 0.002662
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B 0.74125 7.31758 19.8013 0.008007 -0.001639 0.001785
B 2.965 6.03346 19.79296 0.015479 -0.021057 -6e-05
B 0.74125 9.88583 19.76673 0.009473 -0.016981 -0.00677
B 2.965 8.60171 19.79849 0.002031 -0.001542 0.000109
B 0.74125 12.45408 19.75973 0.008573 0.027406 -0.008463
B 2.965 11.16996 19.77436 0.006089 -0.002619 -0.004547
B 0.74125 15.02233 19.79593 0.012248 -0.008078 0.000487
B 2.965 13.73821 19.79329 -0.004636 0.004951 -0.001253
B 5.18875 2.18108 19.77411 -0.010597 0.007407 -0.004146
B 7.4125 0.89696 19.80013 -0.003212 0.015703 0.002097
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B 7.4125 3.46521 19.78358 -0.019443 0.000553 -0.001766
B 5.18875 7.31758 19.79729 0.001483 -0.019892 0.001362
B 7.4125 6.03346 19.79379 -0.007095 -0.014664 0.000569
B 5.18875 9.88583 19.80172 -0.003196 0.00103 0.001991
B 7.4125 8.60171 19.79562 0.008638 0.006166 0.000397
B 5.18875 12.45408 19.802 -2.4e-05 -0.001099 0.001842
B 7.4125 11.16996 19.78138 -0.005205 0.003833 -0.004062
B 5.18875 15.02233 19.80267 -0.003806 0.012502 0.003022
B 7.4125 13.73821 19.79424 0.00748 -0.003937 0.000174
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N 5.93 13.73821 19.80521 0.008282 -0.006219 0.003781
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C 3.13351 13.72285 27.8159 -0.001309 0.000199 0.000511
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C 8.83463 12.6184 23.05408 0.034509 -0.040061 0.000242
C 3.66962 11.4533 28.45747 -7e-05 -0.000992 0.000977
C 1.29626 12.17614 22.80265 -0.04334 -0.048368 3e-06
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168
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168
energy=-1497.81753505 config_type=nep2xyz pbc="T T T" virial="-19.05716938784756 0.010779401651873183 -0.004833620581990753 0.010779401651873183 -27.230222936346593 0.0031653798501532363 -0.004833620581990753 0.0031653798501532363 -4.0921089643906665" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.79955 -0.000828 0.005957 0.001872
B 2.965 0.89696 19.79832 0.018941 0.014713 0.001868
B 0.74125 4.74933 19.79852 -0.003911 -0.00725 0.00174
B 2.965 3.46521 19.788 0.019196 0.002539 -0.001394
B 0.74125 7.31758 19.80234 0.005235 0.000356 0.002563
B 2.965 6.03346 19.79856 0.018096 -0.014449 0.001821
B 0.74125 9.88583 19.77126 0.003686 -0.0085 -0.005743
B 2.965 8.60171 19.79658 0.008873 0.006258 0.000274
B 0.74125 12.45408 19.76348 0.004683 0.015092 -0.007611
B 2.965 11.16996 19.76955 0.021238 -0.002332 -0.005821
B 0.74125 15.02233 19.79677 0.009746 -0.008552 0.000918
B 2.965 13.73821 19.79108 0.002747 -0.00175 -0.001509
B 5.18875 2.18108 19.77385 -0.014109 -0.003011 -0.004421
B 7.4125 0.89696 19.79674 -0.002066 0.011377 0.000541
B 5.18875 4.74933 19.76847 -0.013688 0.008223 -0.005976
B 7.4125 3.46521 19.77182 -0.009925 -0.001673 -0.004868
B 5.18875 7.31758 19.79743 -0.000563 -0.015249 0.0016
B 7.4125 6.03346 19.7898 -0.004725 -0.00853 -0.001045
B 5.18875 9.88583 19.79926 -0.011827 0.000874 0.001611
B 7.4125 8.60171 19.7982 0.005869 0.00812 0.001469
B 5.18875 12.45408 19.79958 -0.008154 -0.001918 0.001412
B 7.4125 11.16996 19.78752 -0.003996 0.002894 -0.002261
B 5.18875 15.02233 19.80284 -0.007485 0.005783 0.003086
B 7.4125 13.73821 19.79693 0.005553 -0.008589 0.001192
N 1.4825 0.89696 19.80354 -0.005902 -0.004038 0.003294
N 3.70625 2.18108 19.78252 0.000751 -0.001323 -0.002048
N 1.4825 3.46521 19.79955 -0.005088 0.00098 0.001695
N 3.70625 4.74933 19.78026 -0.004844 -0.009497 -0.002985
N 1.4825 6.03346 19.80506 -0.004533 0.002958 0.004082
N 3.70625 7.31758 19.80211 -0.003776 0.00233 0.002861
N 1.4825 8.60171 19.79296 -0.006255 0.016979 -0.001081
N 3.70625 9.88583 19.78762 -0.00824 0.015966 -0.001533
N 1.4825 11.16996 19.74168 -0.021029 -0.005485 -0.009663
N 3.70625 12.45408 19.78661 -0.009655 -0.018919 -0.002665
N 1.4825 13.73821 19.77943 -0.004716 0.001903 -0.003992
N 3.70625 15.02233 19.80171 -0.006507 -0.010391 0.002768
N 5.93 0.89696 19.79366 0.000215 0.01143 -0.000148
N 8.15375 2.18108 19.78908 -0.007609 -0.000867 -0.001198
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N 8.15375 4.74933 19.78436 -0.002238 0.005667 -0.002183
N 5.93 6.03346 19.78063 -0.000621 0.012649 -0.002952
N 8.15375 7.31758 19.80151 -0.006869 -0.004331 0.002343
N 5.93 8.60171 19.80355 0.00468 0.000138 0.003343
N 8.15375 9.88583 19.78317 -0.000549 -0.003148 -0.002954
N 5.93 11.16996 19.79945 0.01641 0.00083 0.001294
N 8.15375 12.45408 19.77804 0.001311 -0.002275 -0.004259
N 5.93 13.73821 19.80514 0.005805 -0.002299 0.004031
N 8.15375 15.02233 19.80178 -0.002848 -0.003283 0.002321
C 3.57826 13.72285 27.81574 -0.001085 0.000615 0.000198
C 4.36293 12.61778 27.65835 0.004643 -0.000756 0.000854
C 0.38438 12.6184 23.05318 0.029687 -0.039869 0.000212
C 4.11437 11.4533 28.45734 0.000188 -0.000559 0.000385
C 1.74101 12.17614 22.8032 -0.036944 -0.061064 -0.000115
C 5.00077 12.24213 26.34435 0.006146 0.003573 -0.000356
C 3.91283 10.76381 23.98857 0.041379 0.02012 0.000514
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C 0.15969 13.72304 23.88586 -0.00295 0.046179 0.000257
C 2.56766 13.99719 24.2203 0.021704 0.027592 0.000746
C 0.38444 10.28834 23.05222 0.006885 0.01967 0.000179
C 4.30912 12.86222 25.19781 0.002632 -0.015427 0.001085
C 2.81785 12.86636 23.37398 0.020058 0.022723 0.00038
C 8.07131 13.93679 27.32198 -0.000833 -0.004864 0.001312
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C 2.81789 10.04039 23.3733 0.02918 -0.027913 0.000273
C 0.10046 13.99711 28.4406 -0.012965 -0.006492 3.4e-05
C 6.56235 12.24209 26.31476 -0.004615 -0.000206 0.001129
C 1.74103 10.73066 22.80284 -0.026665 0.082127 -0.000187
C 3.91281 12.14292 23.98871 0.048026 -0.015292 0.000195
C 3.2217 14.6089 26.64141 0.007674 0.009511 0.001783
C 1.75993 14.81471 26.85056 -0.009876 -0.003896 -0.004598
C 7.98488 13.72281 24.8443 -0.016902 0.006172 0.000621
C 0.15977 9.18369 23.8855 -0.004692 -0.035351 0.000211
C 8.34155 14.60884 26.01843 -0.007467 0.006478 -0.000909
C 1.27526 14.41639 24.46834 -0.00875 0.024693 -0.000929
C 0.9083 14.81459 25.80899 0.010058 -0.004627 0.005401
C 1.27535 8.49034 24.46805 -0.002985 -0.028883 -0.00141
C 3.11634 11.45326 29.44659 0.002115 0.000918 0.000557
C 7.20012 12.61777 25.00097 -0.007813 0.010334 0.000107
C 8.02606 1.4791 24.84371 0.002385 -0.018473 0.000232
C 8.81089 2.58408 25.00041 0.013278 0.00581 0.000306
C 4.8323 2.58345 29.61014 0.004773 -0.007975 0.000367
C 8.56238 3.74857 24.20108 0.03065 -0.00273 0.000469
C 6.1889 3.02576 29.86896 0.017976 0.001744 0.000303
C 0.55365 2.9597 26.31448 0.003004 -0.001497 -0.000531
C 8.3607 4.43805 28.67113 -0.000666 -0.000831 0.000428
C 7.93955 1.26507 27.32167 0.000185 0.005695 -2.8e-05
C 4.60753 1.47879 28.77439 0.007816 -0.000656 0.00043
C 7.01545 1.20467 28.44032 0.012406 0.006639 0.000443
C 4.83233 4.91354 29.61012 0.006041 0.008659 0.000204
C 8.75698 2.33959 27.46115 -0.011778 -0.000312 0.000852
C 7.26571 2.33552 29.28825 0.000997 -0.000484 0.000253
C 3.62409 1.26508 25.33776 0.002034 -0.011652 0.000934
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C 2.11522 2.95976 26.3442 -0.007531 -0.004334 0.001192
C 6.18892 4.47122 29.86893 0.018273 0.001819 0.000305
C 8.3607 3.05891 28.67114 -0.000879 0.001708 1.5e-05
C 7.66934 0.59306 26.0181 0.008676 -0.006742 0.00033
C 6.20758 0.38731 25.80872 -0.009099 0.006425 0.001455
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C 4.6076 6.01828 28.77438 0.007046 0.00046 0.000629
C 3.8942 0.59299 26.64125 -0.005614 -0.005694 3.3e-05
C 5.72306 0.78538 28.19107 -0.00179 0.005764 0.000627
C 5.35596 0.38717 26.85027 0.009395 0.003386 -0.000918
C 5.72314 6.71166 28.19103 -0.000947 -0.005564 0.002609
C 7.56432 3.7486 23.21305 -0.012539 0.001631 2.7e-05
C 2.75304 2.58412 27.65824 -0.006083 -0.000803 0.000208
C 7.98494 9.18385 24.84372 -0.005141 -0.013942 0.000186
C 7.20011 10.28883 25.00061 -0.013212 -0.000211 0.000632
C 2.2837 10.2882 29.61011 -0.005442 -0.008427 0.000339
C 7.44862 11.45332 24.20139 -0.028931 -0.002717 0.000151
C 0.9271 10.73051 29.86905 -0.017924 0.001796 0.000427
C 6.56235 10.66445 26.31461 -0.004445 -0.002234 -0.000448
C 7.6503 12.1428 28.67135 0.000319 -0.001712 0.000578
C 8.07145 8.96982 27.32167 -0.000674 0.004617 0.000553
C 2.50847 9.18354 28.77434 -0.00793 -0.000219 0.000529
C 0.10055 8.90942 28.44035 -0.012997 0.006734 0.00023
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C 8.74529 10.04027 29.28828 0.000458 -0.001698 0.000322
C 3.49191 8.96983 25.3376 -0.007585 -0.014851 0.000115
C 4.30915 10.04447 25.19759 0.004586 0.014333 2.4e-05
C 8.74527 12.8662 29.28848 -0.003138 -0.000767 0.000398
C 2.56773 8.90952 24.2198 0.014827 -0.031904 0.000409
C 5.00078 10.66451 26.34419 0.006151 -0.004814 0.001147
C 0.92708 12.17597 29.86917 -0.01771 -0.000379 0.000463
C 7.6503 10.76366 28.67122 0.000854 0.001556 0.000166
C 8.34166 8.29781 26.01805 -0.007705 -0.006028 -0.00045
C 0.90842 8.09206 25.80861 0.011622 0.007607 0.006796
C 3.57833 9.18379 27.81549 -0.002678 -0.000675 0.000359
C 2.5084 13.72303 28.77461 -0.006277 0.0006 0.000595
C 3.22181 8.29774 26.64112 0.005425 -0.00584 0.001281
C 1.39294 8.49013 28.19098 0.001353 0.006855 0.002001
C 1.76004 8.09192 26.85027 -0.0117 0.002063 -0.006109
C 1.39286 14.41641 28.19133 0.001064 -0.005073 0.00176
C 8.44668 11.45335 23.21388 0.011469 -0.00045 0.000262
C 4.36296 10.28887 27.65821 0.005229 -0.000493 0.000292
C 3.53774 6.0181 27.81553 0.001615 0.000544 -0.000166
C 2.75307 4.91303 27.65825 -0.005519 -0.001247 0.000815
C 6.73162 4.91365 23.05185 -0.026362 -0.035547 0.000274
C 3.00163 3.74855 28.45731 -0.000866 0.000821 9e-05
C 5.37499 4.47139 22.80019 0.018047 -0.043657 -0.000112
C 2.11523 4.53738 26.34423 -0.006621 0.003344 -0.000378
C 3.20317 3.05906 23.9885 -0.037851 0.01269 0.000544
C 3.62418 6.23205 25.33783 0.001289 0.011153 -0.000659
C 6.95631 6.01829 23.88522 0.00163 0.03406 -0.000219
C 4.54834 6.29244 24.21975 -0.025829 0.016596 0.000516
C 6.73156 2.58359 23.05238 -0.018971 0.017844 0.000118
C 2.80688 5.15747 25.19769 -0.00022 -0.011066 0.000765
C 4.29815 5.16161 23.37371 -0.007698 0.014617 0.000257
C 7.93969 6.23204 27.32164 -0.000559 -0.006455 0.001561
C 8.75701 5.15742 27.46118 -0.012253 0.000364 -0.000541
C 4.29811 2.33564 23.37367 -0.011112 -0.010094 0.000218
C 7.01554 6.29236 28.44027 0.012277 -0.006577 -0.000225
C 0.55365 4.53734 26.31451 0.003779 -4e-06 0.001083
C 5.37497 3.02591 22.80161 0.019873 0.054391 -0.000131
C 3.20319 4.43817 23.98837 -0.040049 -0.004676 9.6e-05
C 3.8943 6.90415 26.64116 -0.007786 0.009645 0.002264
C 5.35607 7.10996 26.85026 0.011404 -0.00457 -0.00905
C 8.02612 6.01806 24.84373 0.009856 0.00914 0.000763
C 6.95623 1.47894 23.8855 0.005983 -0.026181 5.4e-05
C 7.66945 6.90409 26.01806 0.007157 0.005825 -0.00201
C 5.84074 6.71164 24.46791 0.012943 0.021247 -0.002078
C 6.2077 7.10984 25.80855 -0.01204 -0.004701 0.009651
C 5.84065 0.78559 24.46812 0.000348 -0.026321 6.5e-05
C 3.99966 3.74851 29.44655 -0.002391 0.001542 0.0005
C 8.81088 4.91302 25.00057 0.010177 0.002969 -0.000305
168
energy=-1497.8171004 config_type=nep2xyz pbc="T T T" virial="-19.0498547938695 0.005175823809034345 -0.02737625816348745 0.005175823809034345 -27.221838957284028 0.002780401219729194 -0.02737625816348745 0.002780401219729194 -4.079190792569771" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.7982 -0.000777 0.004332 0.001325
B 2.965 0.89696 19.7998 0.019541 0.009201 0.002153
B 0.74125 4.74933 19.79732 -0.002214 -0.005707 0.001255
B 2.965 3.46521 19.7916 0.017442 0.001664 -0.0008
B 0.74125 7.31758 19.8027 0.004266 0.003713 0.002921
B 2.965 6.03346 19.80056 0.018509 -0.009078 0.002356
B 0.74125 9.88583 19.77481 0.002812 0.000217 -0.004681
B 2.965 8.60171 19.79511 0.012005 0.012911 0.000383
B 0.74125 12.45408 19.76702 0.004178 0.004151 -0.00636
B 2.965 11.16996 19.76767 0.022903 -0.001856 -0.005955
B 0.74125 15.02233 19.79722 0.009323 -0.011205 0.001293
B 2.965 13.73821 19.78929 0.006058 -0.007181 -0.001637
B 5.18875 2.18108 19.7738 -0.013311 -0.008092 -0.004834
B 7.4125 0.89696 19.79487 -0.002142 0.007161 -0.000124
B 5.18875 4.74933 19.76851 -0.013524 0.01556 -0.006346
B 7.4125 3.46521 19.766 -0.002509 -0.00206 -0.006268
B 5.18875 7.31758 19.79725 -0.00131 -0.011181 0.001359
B 7.4125 6.03346 19.78782 -0.004686 -0.003676 -0.001885
B 5.18875 9.88583 19.79743 -0.017132 0.001992 0.001329
B 7.4125 8.60171 19.79948 0.004609 0.010419 0.001929
B 5.18875 12.45408 19.79743 -0.014007 -0.003034 0.000945
B 7.4125 11.16996 19.79074 -0.002997 0.003141 -0.00121
B 5.18875 15.02233 19.80255 -0.008527 0.00117 0.002642
B 7.4125 13.73821 19.79835 0.00468 -0.012574 0.001714
N 1.4825 0.89696 19.80385 -0.007831 -0.000751 0.003625
N 3.70625 2.18108 19.78642 0.005201 0.001744 -0.001499
N 1.4825 3.46521 19.8 -0.008054 0.001134 0.001703
N 3.70625 4.74933 19.78504 0.004572 -0.010963 -0.002596
N 1.4825 6.03346 19.8056 -0.007051 -0.000899 0.004467
N 3.70625 7.31758 19.80208 -0.003565 -0.000109 0.003121
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N 3.70625 9.88583 19.78353 -0.003153 0.010088 -0.002068
N 1.4825 11.16996 19.74536 -0.034716 -0.000413 -0.009013
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N 3.70625 15.02233 19.80134 -0.006788 -0.00772 0.002507
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N 5.93 6.03346 19.78001 0.000632 0.006877 -0.003769
N 8.15375 7.31758 19.80136 -0.006343 -0.010153 0.002351
N 5.93 8.60171 19.80317 0.003939 -0.002082 0.003344
N 8.15375 9.88583 19.78733 -4.9e-05 -0.00377 -0.001712
N 5.93 11.16996 19.79924 0.014667 0.000473 0.001278
N 8.15375 12.45408 19.78233 -7.5e-05 0.00142 -0.002842
N 5.93 13.73821 19.80468 0.003928 0.00064 0.004078
N 8.15375 15.02233 19.80193 -0.002253 0.00307 0.002554
C 3.80064 13.72285 27.81571 -0.00123 0.000676 0.000454
C 4.58531 12.61778 27.65836 0.005409 -0.00079 0.000343
C 0.60676 12.6184 23.05252 0.028229 -0.036262 0.000281
C 4.33675 11.4533 28.45735 0.000343 -0.000321 0.000293
C 1.96338 12.17614 22.80302 -0.030733 -0.068054 -0.000102
C 5.22314 12.24213 26.34432 0.006574 0.003295 0.001003
C 4.13521 10.76381 23.98851 0.04067 0.015736 0.000191
C 3.71419 13.9368 25.33809 -0.002401 0.012534 0.000444
C 0.38206 13.72304 23.8856 -0.003765 0.043591 3e-05
C 2.79003 13.99719 24.22031 0.022438 0.024405 0.000236
C 0.60682 10.28834 23.05192 0.006314 0.014753 0.000169
C 4.53149 12.86222 25.19785 0.001234 -0.012767 -0.00016
C 3.04023 12.86636 23.37413 0.015436 0.021354 0.000322
C 8.29368 13.93679 27.32181 -0.000254 -0.005602 0.001383
C 7.47637 12.86217 27.46127 0.011928 0.000307 0.0001
C 3.04027 10.04039 23.37358 0.020585 -0.020082 0.000216
C 0.32283 13.99711 28.44045 -0.013122 -0.006588 3.9e-05
C 6.78472 12.24209 26.31459 -0.003859 -0.000252 0.00035
C 1.9634 10.73066 22.80263 -0.018446 0.083419 -0.000157
C 4.13518 12.14292 23.9886 0.046619 -0.010874 0.000557
C 3.44407 14.6089 26.6414 0.007565 0.00996 0.001236
C 1.98231 14.81471 26.85049 -0.010538 -0.004109 -0.006153
C 8.20725 13.72281 24.84399 -0.0119 0.00968 0.000655
C 0.38214 9.18369 23.88537 -0.005993 -0.029715 0.000149
C 8.56393 14.60884 26.01828 -0.007741 0.00626 -0.001436
C 1.49763 14.41639 24.46823 -0.011246 0.022471 -0.001174
C 1.13068 14.81459 25.80888 0.010062 -0.004409 0.006866
C 1.49772 8.49034 24.46807 -0.00284 -0.026436 -0.001141
C 3.33872 11.45326 29.44659 0.002168 0.001044 0.000528
C 7.42249 12.61777 25.00069 -0.010082 0.004556 0.000135
C 8.24844 1.4791 24.84378 0.004565 -0.015379 -3.2e-05
C 0.13827 2.58408 25.00058 0.012312 0.000614 0.000382
C 5.05468 2.58345 29.61015 0.005009 -0.008198 0.000435
C 8.78475 3.74857 24.20128 0.029298 -0.003382 9e-05
C 6.41128 3.02576 29.86903 0.017756 0.002106 0.000349
C 0.77603 2.9597 26.31458 0.003722 -0.00188 0.00021
C 8.58308 4.43805 28.67125 -0.000643 -0.001056 0.000331
C 8.16193 1.26507 27.32172 0.000469 0.004855 -0.000337
C 4.82991 1.47879 28.77439 0.007853 -0.000548 0.000488
C 7.23783 1.20467 28.44037 0.012404 0.006623 0.000564
C 5.05471 4.91354 29.6102 0.006052 0.008301 0.000349
C 0.08435 2.33959 27.46123 -0.011646 -0.000727 0.000585
C 7.48809 2.33552 29.2883 8.5e-05 -0.001166 0.000323
C 3.84646 1.26508 25.3377 0.005156 -0.013816 -0.000138
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C 7.48811 5.16145 29.28834 0.00219 -0.000452 0.000268
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C 6.4113 4.47122 29.86905 0.017868 0.000763 0.000377
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C 0.13826 4.91302 25.00081 0.007865 0.009857 0.00031
168
energy=-1497.81615687 config_type=nep2xyz pbc="T T T" virial="-19.069873682651554 0.00012832621014134742 -0.040850510228328925 0.00012832621014134742 -27.25550319974444 0.007956225028763541 -0.040850510228328925 0.007956225028763541 -4.06002741185533" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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B 2.965 8.60171 19.79332 0.014605 0.019332 8.2e-05
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C 6.28549 6.71164 24.46815 0.015185 0.024513 0.001137
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C 6.2854 0.78559 24.46808 0.005818 -0.02961 0.001618
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C 0.36063 4.91302 25.00106 0.006206 0.014701 -0.000794
168
energy=-1497.81497652 config_type=nep2xyz pbc="T T T" virial="-19.117696583630895 -0.005432476229317041 -0.047095719121874505 -0.005432476229317041 -27.306962010011123 0.003935337111001321 -0.047095719121874505 0.003935337111001321 -4.03714257104679" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.79514 -0.000501 0.003004 -1.2e-05
B 2.965 0.89696 19.80184 0.0187 0.000698 0.001739
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B 2.965 6.03346 19.80285 0.017324 -0.000637 0.002158
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B 0.74125 12.45408 19.77539 0.00517 -0.01574 -0.003697
B 2.965 11.16996 19.76378 0.01428 -0.002436 -0.006359
B 0.74125 15.02233 19.79807 0.009328 -0.016275 0.001414
B 2.965 13.73821 19.78425 0.012145 -0.016167 -0.002291
B 5.18875 2.18108 19.77447 -0.006615 -0.009814 -0.004582
B 7.4125 0.89696 19.79124 -0.003881 2.4e-05 -0.001386
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B 7.4125 6.03346 19.78404 -0.007452 0.004658 -0.00311
B 5.18875 9.88583 19.79319 -0.023948 0.002871 8.1e-05
B 7.4125 8.60171 19.80218 0.002865 0.012995 0.0026
B 5.18875 12.45408 19.79189 -0.023205 -0.002348 -0.000293
B 7.4125 11.16996 19.79743 -0.000183 0.003289 0.001178
B 5.18875 15.02233 19.80147 -0.007839 -0.004252 0.001226
B 7.4125 13.73821 19.80141 0.003305 -0.018094 0.002375
N 1.4825 0.89696 19.80404 -0.010858 0.004982 0.002879
N 3.70625 2.18108 19.79272 0.01196 0.004913 -0.000761
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C 2.28244 8.49013 28.19122 0.001118 0.004725 0.001029
C 2.64954 8.09192 26.85038 -0.009542 0.004617 -0.002341
C 2.28236 14.41641 28.19119 0.00112 -0.004275 -0.000458
C 0.44118 11.45335 23.21199 -0.010598 -0.007301 0.000161
C 5.25246 10.28887 27.6585 0.006987 -0.000639 0.000557
C 4.42724 6.0181 27.81612 0.00076 0.000978 0.000668
C 3.64257 4.91303 27.65877 -0.005587 -0.00091 0.000456
C 7.62112 4.91365 23.05328 -0.035269 -0.023827 0.000375
C 3.89113 3.74855 28.45773 -0.000785 -0.001196 0.000555
C 6.26449 4.47139 22.80322 0.035026 -0.056598 1.9e-05
C 3.00473 4.53738 26.34479 -0.007671 0.002879 0.00153
C 4.09267 3.05906 23.98921 -0.033669 0.015718 0.000195
C 4.51368 6.23205 25.33844 0.006694 0.015498 0.000625
C 7.84581 6.01829 23.88613 0.000912 0.040994 0.000348
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C 7.62106 2.58359 23.05229 -0.014453 0.017223 0.000363
C 3.69638 5.15747 25.19839 -0.005455 -0.016493 0.000152
C 5.18765 5.16161 23.37481 -0.018866 0.00743 0.000434
C 8.82919 6.23204 27.32228 0.001216 -0.003525 0.000472
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C 5.18761 2.33564 23.37381 -0.037796 -0.026127 0.000391
C 7.90504 6.29236 28.44088 0.012923 -0.006793 0.000633
C 1.44315 4.53734 26.3151 0.00423 -0.001143 -0.000242
C 6.26447 3.02591 22.8027 0.033471 0.084635 -4.8e-05
C 4.09269 4.43817 23.98948 -0.041593 -0.0124 0.000772
C 4.7838 6.90415 26.64178 -0.008071 0.007968 0.00105
C 6.24557 7.10996 26.85088 0.009174 -0.0035 -0.002921
C 0.02062 6.01806 24.84467 0.018664 0.000757 0.000541
C 7.84573 1.47894 23.88568 0.00184 -0.039314 0.000224
C 8.55895 6.90409 26.01869 0.007829 0.00723 4.3e-05
C 6.73024 6.71164 24.46868 0.008685 0.020924 -0.000367
C 7.0972 7.10984 25.8093 -0.009753 -0.004267 0.004226
C 6.73015 0.78559 24.4683 0.006116 -0.024581 -0.001197
C 4.88916 3.74851 29.44695 -0.002329 0.000606 0.000756
C 0.80538 4.91302 25.00131 0.007841 0.014148 0.000608
168
energy=-1497.81304663 config_type=nep2xyz pbc="T T T" virial="-19.18883207945258 -0.015698573040624834 -0.03785623199169749 -0.015698573040624834 -27.40953742731744 0.006202433490165125 -0.03785623199169749 0.006202433490165125 -3.982005076089391" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.79121 -0.001653 0.004743 -0.001088
B 2.965 0.89696 19.80249 0.016136 0.000986 0.001501
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B 2.965 3.46521 19.79857 0.005705 0.001469 3.3e-05
B 0.74125 7.31758 19.80289 0.002992 0.006591 0.002847
B 2.965 6.03346 19.80317 0.01487 -0.001292 0.001837
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B 2.965 8.60171 19.78792 0.016504 0.025243 -0.000844
B 0.74125 12.45408 19.78308 0.006945 -0.02091 -0.002079
B 2.965 11.16996 19.75996 0.001661 -0.006394 -0.007164
B 0.74125 15.02233 19.79847 0.009384 -0.014499 0.001488
B 2.965 13.73821 19.77934 0.014208 -0.016125 -0.002996
B 5.18875 2.18108 19.77812 0.003275 0.000582 -0.004527
B 7.4125 0.89696 19.78857 -0.005782 0.001442 -0.002051
B 5.18875 4.74933 19.77224 0.003836 0.00939 -0.005614
B 7.4125 3.46521 19.75363 0.001995 0.001914 -0.008777
B 5.18875 7.31758 19.79613 0.00246 -0.008214 -0.000195
B 7.4125 6.03346 19.78155 -0.011841 0.003939 -0.003514
B 5.18875 9.88583 19.78932 -0.021525 -0.001933 -0.000842
B 7.4125 8.60171 19.80408 0.000885 0.008757 0.003342
B 5.18875 12.45408 19.78614 -0.021612 0.002588 -0.001499
B 7.4125 11.16996 19.80269 0.002756 0.002892 0.002812
B 5.18875 15.02233 19.80027 -0.003697 -0.00137 0.000343
B 7.4125 13.73821 19.80364 0.001646 -0.015112 0.003036
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N 3.70625 2.18108 19.79694 0.010464 0.003305 -0.00024
N 1.4825 3.46521 19.79683 -0.00932 -0.000712 -0.00015
N 3.70625 4.74933 19.79519 0.014294 -0.006149 -0.000788
N 1.4825 6.03346 19.80445 -0.014861 -0.008347 0.002817
N 3.70625 7.31758 19.80039 -0.005018 0.001393 0.001379
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N 8.15375 12.45408 19.79928 0.004296 0.004361 0.002634
N 5.93 13.73821 19.80146 -0.00772 -0.004121 0.001929
N 8.15375 15.02233 19.80257 -0.00203 0.015994 0.002346
C 4.69014 13.72285 27.81571 -0.002562 2.8e-05 0.000978
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C 5.22625 11.4533 28.45758 0.000881 0.001129 0.000768
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C 6.11264 12.24213 26.34447 0.007965 0.002493 0.001385
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C 5.00607 0.59299 26.64139 -0.005912 -0.005345 0.002492
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C 8.67619 3.7486 23.21386 0.021083 0.000684 0.000365
C 3.86492 2.58412 27.65857 -0.005158 7.7e-05 0.001379
C 0.20181 9.18385 24.84376 -0.002398 -0.015111 0.000524
C 8.31198 10.28883 25.00043 -0.011636 0.003553 -8e-05
C 3.39557 10.2882 29.61036 -0.004885 -0.00836 0.000396
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C 2.03897 10.73051 29.869 -0.019463 0.000622 0.000354
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C 0.96216 10.04027 29.28835 -0.003093 0.000988 0.000307
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C 2.02029 8.09206 25.80885 0.007103 0.003885 0.003204
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C 5.47483 10.28887 27.65853 0.006782 -0.000547 0.000412
C 4.64961 6.0181 27.81619 0.000623 0.000729 0.000822
C 3.86494 4.91303 27.65881 -0.005342 -0.000757 0.000289
C 7.84349 4.91365 23.0538 -0.039959 -0.025071 0.0004
C 4.1135 3.74855 28.45776 -0.000624 -0.001532 0.000664
C 6.48687 4.47139 22.80353 0.039284 -0.066067 7.2e-05
C 3.22711 4.53738 26.3448 -0.007781 0.002964 0.002029
C 4.31505 3.05906 23.98909 -0.031643 0.008079 7.7e-05
C 4.73606 6.23205 25.33853 0.006818 0.014465 0.001134
C 8.06819 6.01829 23.88633 0.005959 0.040254 0.000376
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C 3.91876 5.15747 25.19842 -0.006481 -0.015657 -0.000188
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C 0.15657 6.23204 27.32236 0.001422 -0.003793 0.000675
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C 5.40998 2.33564 23.37382 -0.041118 -0.026099 0.000378
C 8.12742 6.29236 28.44097 0.013022 -0.006748 0.000604
C 1.66553 4.53734 26.31515 0.003739 -0.001387 -0.000334
C 6.48685 3.02591 22.80255 0.037551 0.093177 1.1e-05
C 4.31507 4.43817 23.98942 -0.03912 -0.007015 0.000947
C 5.00618 6.90415 26.64189 -0.007582 0.007426 0.000666
C 6.46794 7.10996 26.85101 0.007854 -0.003437 -0.002127
C 0.243 6.01806 24.84477 0.016831 0.00284 0.000548
C 8.06811 1.47894 23.88574 0.005439 -0.040802 0.000339
C 8.78132 6.90409 26.01881 0.008769 0.007815 0.000158
C 6.95262 6.71164 24.46892 0.001232 0.018787 -3.9e-05
C 7.31957 7.10984 25.80948 -0.008332 -0.003519 0.003382
C 6.95253 0.78559 24.4684 0.003055 -0.02165 -0.000613
C 5.11153 3.74851 29.44698 -0.002368 0.000418 0.000776
C 1.02776 4.91302 25.00133 0.009706 0.009499 0.000748
168
energy=-1497.81282892 config_type=nep2xyz pbc="T T T" virial="-19.191184726638507 -0.01937725773134346 -0.03015665938321664 -0.01937725773134346 -27.433876631840917 0.01095050326539498 -0.03015665938321664 0.01095050326539498 -3.969172455075256" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.78897 -0.002058 0.005889 -0.001637
B 2.965 0.89696 19.80267 0.014331 0.003948 0.001559
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B 2.965 3.46521 19.79901 0.002244 0.002363 0.000388
B 0.74125 7.31758 19.8024 0.002907 0.002618 0.002752
B 2.965 6.03346 19.80309 0.013266 -0.004055 0.001934
B 0.74125 9.88583 19.79121 0.008624 0.013705 8.4e-05
B 2.965 8.60171 19.78668 0.015538 0.021641 -0.001348
B 0.74125 12.45408 19.78572 0.006779 -0.017329 -0.001481
B 2.965 11.16996 19.75789 -0.002388 -0.009031 -0.007699
B 0.74125 15.02233 19.79858 0.008637 -0.011032 0.001523
B 2.965 13.73821 19.7777 0.013076 -0.012487 -0.003385
B 5.18875 2.18108 19.78142 0.008031 0.007388 -0.003954
B 7.4125 0.89696 19.78787 -0.006348 0.005142 -0.002093
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B 7.4125 3.46521 19.75447 -0.005485 0.002835 -0.009084
B 5.18875 7.31758 19.79642 0.004943 -0.010929 -3e-06
B 7.4125 6.03346 19.78088 -0.013633 0.000884 -0.003612
B 5.18875 9.88583 19.78784 -0.016563 -0.005179 -0.001424
B 7.4125 8.60171 19.80463 -0.000747 0.005484 0.00363
B 5.18875 12.45408 19.7837 -0.015639 0.005369 -0.002018
B 7.4125 11.16996 19.80427 0.003856 0.002226 0.003519
B 5.18875 15.02233 19.80002 -0.000525 0.001532 0.000347
B 7.4125 13.73821 19.80423 0.0003 -0.011423 0.003506
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N 3.70625 2.18108 19.79876 0.007478 0.000926 0.00033
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N 8.15375 9.88583 19.80474 0.007457 0.000904 0.004784
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N 8.15375 12.45408 19.80177 0.007735 0.001873 0.003618
N 5.93 13.73821 19.80041 -0.010624 -0.009459 0.001844
N 8.15375 15.02233 19.80254 -0.001671 0.014428 0.002683
C 4.91251 13.72285 27.81566 -0.002353 -5.7e-05 -0.000794
C 5.69718 12.61778 27.65842 0.005611 -0.001775 0.001652
C 1.71863 12.6184 23.05045 0.005893 -0.007585 -7.9e-05
C 5.44862 11.4533 28.45754 0.001428 0.001378 -0.000809
C 3.07526 12.17614 22.79933 -0.024965 -0.060214 -0.000121
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168
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168
energy=-1497.81426951 config_type=nep2xyz pbc="T T T" virial="-19.144687863163956 -0.01693905973865786 -0.004277540338044914 -0.01693905973865786 -27.413087785798016 0.009881118180883752 -0.004277540338044914 0.009881118180883752 -4.002023964871441" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.78392 3.8e-05 0.005395 -0.003118
B 2.965 0.89696 19.80301 0.010364 0.009036 0.002402
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B 2.965 3.46521 19.79909 -0.003648 0.003464 0.001452
B 0.74125 7.31758 19.80097 0.001948 -0.005132 0.002219
B 2.965 6.03346 19.80268 0.009474 -0.008702 0.002604
B 0.74125 9.88583 19.79305 0.00649 0.005886 0.00019
B 2.965 8.60171 19.78567 0.011273 0.012537 -0.002129
B 0.74125 12.45408 19.78884 0.003313 -0.007701 -0.001402
B 2.965 11.16996 19.75457 -0.005052 -0.01178 -0.009862
B 0.74125 15.02233 19.79865 0.005247 -0.003715 0.001442
B 2.965 13.73821 19.77692 0.00792 -0.004179 -0.004488
B 5.18875 2.18108 19.79015 0.014132 0.014471 -0.001652
B 7.4125 0.89696 19.78747 -0.005939 0.013189 -0.001575
B 5.18875 4.74933 19.78531 0.015498 -0.007727 -0.002919
B 7.4125 3.46521 19.75876 -0.020756 0.002064 -0.009484
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B 7.4125 6.03346 19.78038 -0.014805 -0.005651 -0.00323
B 5.18875 9.88583 19.78562 -0.003309 -0.007717 -0.002663
B 7.4125 8.60171 19.80496 -0.005824 0.001494 0.004505
B 5.18875 12.45408 19.77995 0.002605 0.008453 -0.00358
B 7.4125 11.16996 19.80501 0.002614 0.001528 0.003849
B 5.18875 15.02233 19.80007 0.007007 0.003386 0.001224
B 7.4125 13.73821 19.80416 -0.005003 -0.005075 0.004109
N 1.4825 0.89696 19.79964 -0.013816 0.006825 0.001498
N 3.70625 2.18108 19.80219 0.000348 -0.002436 0.00257
N 1.4825 3.46521 19.78764 -0.001267 -0.004664 -0.002217
N 3.70625 4.74933 19.80022 0.001354 -2.4e-05 0.002106
N 1.4825 6.03346 19.799 -0.016441 -0.005896 0.001529
N 3.70625 7.31758 19.80067 -0.008786 0.012371 0.001939
N 1.4825 8.60171 19.79598 0.003706 0.008095 0.000706
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N 5.93 13.73821 19.79788 -0.013464 -0.016695 0.001799
N 8.15375 15.02233 19.80221 0.000586 0.010536 0.003248
C 5.35726 13.72285 27.81547 -0.002267 -0.000886 0.000134
C 6.14193 12.61778 27.65816 0.003855 -0.001564 0.000634
C 2.16338 12.6184 23.05153 -0.005373 -0.008295 -4e-06
C 5.89337 11.4533 28.45726 9.8e-05 0.001327 0.000657
C 3.52001 12.17614 22.79924 -0.031523 -0.05917 -0.000244
C 6.77977 12.24213 26.34411 0.004803 0.003342 -0.000586
C 5.69183 10.76381 23.98812 0.029665 -0.009517 0.000671
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C 6.08812 12.86222 25.19737 0.000716 -0.015222 0.001116
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C 5.69181 12.14292 23.98798 0.02063 0.004971 2e-06
C 5.0007 14.6089 26.64108 0.005919 0.006748 0.001408
C 3.53893 14.81471 26.85033 -0.007701 -0.001339 -0.001369
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C 4.89534 11.45326 29.44654 0.00239 0.001466 0.000383
C 0.08412 12.61777 25.00092 -0.010658 0.00056 0.000492
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C 1.69489 2.58408 25.00109 0.010043 -0.001378 9.5e-05
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C 1.44638 3.74857 24.20204 0.031075 0.003129 0.001314
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C 1.2447 4.43805 28.67163 0.000108 -0.001699 0.001195
C 0.82355 1.26507 27.32194 0.00188 0.004976 0.000795
C 6.38653 1.47879 28.77439 0.005542 0.000644 0.000242
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C 7.50206 0.78538 28.19125 -0.002273 0.003555 -0.00159
C 7.13496 0.38717 26.8503 0.002662 0.005414 0.009967
C 7.50214 6.71166 28.19169 -0.002167 -0.003009 0.001323
C 0.44832 3.7486 23.21379 0.001439 -0.000751 3.2e-05
C 4.53204 2.58412 27.65808 -0.002923 -0.000295 0.000276
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C 2.7061 10.73051 29.86918 -0.01657 0.002436 0.000525
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C 1.22566 8.29781 26.01853 -0.008357 -0.008384 0.001362
C 2.68742 8.09206 25.80896 0.007756 0.004169 0.003942
C 5.35733 9.18379 27.81561 -0.002517 -0.000105 0.000641
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C 8.51062 4.91365 23.0548 -0.033569 -0.032565 0.000468
C 4.78063 3.74855 28.45726 0.000135 -0.001315 0.000617
C 7.15399 4.47139 22.80286 0.046587 -0.080392 0.000102
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C 4.98217 3.05906 23.98774 -0.036137 -0.011337 0.00082
C 5.40318 6.23205 25.33801 0.007426 0.011795 0.000627
C 8.73531 6.01829 23.88653 0.020278 0.029419 -5.4e-05
C 6.32734 6.29244 24.2206 -0.007034 0.041929 0.000465
C 8.51056 2.58359 23.05361 -0.027699 0.045524 0.000173
C 4.58588 5.15747 25.19755 -0.008304 -0.015108 0.001148
C 6.07715 5.16161 23.37366 -0.033666 0.010462 0.000546
C 0.82369 6.23204 27.32229 0.00076 -0.005953 0.003685
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C 2.33265 4.53734 26.31504 0.003481 3.7e-05 0.002838
C 7.15397 3.02591 22.80114 0.04534 0.089511 0.000131
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C 5.6733 6.90415 26.64156 -0.005797 0.00594 0.000833
C 7.13507 7.10996 26.85093 0.003957 -0.003013 -0.000703
C 0.91012 6.01806 24.84469 0.011716 0.014606 0.001773
C 8.73523 1.47894 23.88586 0.016019 -0.035124 5.7e-05
C 0.55345 6.90409 26.01888 0.010243 0.008551 -0.002186
C 7.61974 6.71164 24.46907 -0.022604 0.019673 0.000709
C 7.9867 7.10984 25.80951 -0.005568 -0.003028 0.001883
C 7.61965 0.78559 24.46842 -0.009853 -0.020237 0.003132
C 5.77866 3.74851 29.44657 -0.002626 0.000328 0.000712
C 1.69488 4.91302 25.00127 0.011081 -0.002961 -0.00098
168
energy=-1497.81538724 config_type=nep2xyz pbc="T T T" virial="-19.12120416670809 -0.014671963359494054 -0.004576968161708058 -0.014671963359494054 -27.40491768375235 0.0073573693814372515 -0.004576968161708058 0.0073573693814372515 -4.047152015437815" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.78102 0.002274 0.002883 -0.003608
B 2.965 0.89696 19.8034 0.007965 0.009187 0.002266
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B 2.965 3.46521 19.79896 -0.005223 0.003443 0.001363
B 0.74125 7.31758 19.80027 0.000991 -0.006837 0.001401
B 2.965 6.03346 19.80256 0.007204 -0.008917 0.00223
B 0.74125 9.88583 19.79366 0.00425 0.004646 9.4e-05
B 2.965 8.60171 19.78572 0.008981 0.009745 -0.001906
B 0.74125 12.45408 19.78998 0.001148 -0.005333 -0.001213
B 2.965 11.16996 19.75336 -0.005508 -0.010409 -0.008632
B 0.74125 15.02233 19.79888 0.003086 -0.001638 0.000978
B 2.965 13.73821 19.77749 0.004476 -0.002108 -0.003807
B 5.18875 2.18108 19.79431 0.01588 0.013637 -0.000259
B 7.4125 0.89696 19.78744 -0.005159 0.015497 -0.001247
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B 7.4125 3.46521 19.75998 -0.024503 -0.000202 -0.0082
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B 7.4125 6.03346 19.78013 -0.013976 -0.007412 -0.002723
B 5.18875 9.88583 19.78436 0.003636 -0.006232 -0.002662
B 7.4125 8.60171 19.8052 -0.008823 0.001937 0.003738
B 5.18875 12.45408 19.77812 0.011801 0.007739 -0.003462
B 7.4125 11.16996 19.80456 -0.000491 0.001334 0.00303
B 5.18875 15.02233 19.80024 0.01096 0.000495 0.001503
B 7.4125 13.73821 19.80393 -0.008906 -0.003999 0.00354
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N 5.93 13.73821 19.79637 -0.013094 -0.016068 0.001405
N 8.15375 15.02233 19.80224 0.002126 0.009971 0.002783
C 5.57964 13.72285 27.81543 -0.002438 -0.001457 0.001031
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C 2.38576 12.6184 23.05225 -0.006242 -0.011377 3e-05
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C 1.44793 14.60884 26.01841 -0.007819 0.006114 0.000198
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C 5.11772 11.45326 29.44647 0.002446 0.001299 0.000411
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C 7.84203 0.78559 24.46841 -0.010706 -0.021679 0.001641
C 6.00103 3.74851 29.44646 -0.003022 0.000412 0.000223
C 1.91726 4.91302 25.00127 0.011103 -0.002464 0.002879
168
energy=-1497.81597184 config_type=nep2xyz pbc="T T T" virial="-19.105420042860707 -0.0099238935842642 -0.013089273434417436 -0.0099238935842642 -27.391528982494272 0.007614021801719947 -0.013089273434417436 0.007614021801719947 -4.0564342779713725" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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B 2.965 0.89696 19.80339 0.005482 0.007745 0.003117
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C 0.28506 6.01829 23.88634 0.016109 0.020262 0.000312
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C 5.42694 4.43817 23.98742 -0.035409 0.004167 -0.000197
C 6.11805 6.90415 26.64121 -0.005295 0.005562 0.00232
C 7.57982 7.10996 26.85073 0.00463 -0.001857 -0.003104
C 1.35487 6.01806 24.84455 0.011118 0.017305 0.000667
C 0.28498 1.47894 23.88591 0.011419 -0.026053 0.00061
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C 8.06449 6.71164 24.4688 -0.022319 0.025493 -0.000592
C 8.43145 7.10984 25.80925 -0.007564 -0.004609 0.004123
C 8.0644 0.78559 24.46833 -0.007919 -0.024508 0.001996
C 6.22341 3.74851 29.44634 -0.002866 0.000674 0.000484
C 2.13963 4.91302 25.00131 0.00855 -0.000496 -0.000249
168
energy=-1497.81584092 config_type=nep2xyz pbc="T T T" virial="-19.109355379971706 -0.004320315741425364 -0.02622132227221532 -0.004320315741425364 -27.398886351875706 0.005774679456360634 -0.02622132227221532 0.005774679456360634 -4.056648154988275" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77656 0.00621 -0.003202 -0.005158
B 2.965 0.89696 19.80344 0.002826 0.005384 0.003363
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B 2.965 3.46521 19.79804 -0.005092 0.002614 0.001808
B 0.74125 7.31758 19.79847 -0.000382 -0.006115 0.000769
B 2.965 6.03346 19.80143 0.002045 -0.006108 0.002681
B 0.74125 9.88583 19.79553 -7e-06 0.00822 0.000468
B 2.965 8.60171 19.78736 0.005958 0.009441 -0.001775
B 0.74125 12.45408 19.79318 -0.00206 -0.006191 -0.000484
B 2.965 11.16996 19.75697 -0.006183 -0.002953 -0.009007
B 0.74125 15.02233 19.79922 -0.000371 -0.00051 0.001273
B 2.965 13.73821 19.78137 -7.3e-05 -0.00355 -0.00329
B 5.18875 2.18108 19.80069 0.015418 0.004656 0.00217
B 7.4125 0.89696 19.78772 -0.00274 0.015525 -0.001152
B 5.18875 4.74933 19.79739 0.015581 -0.003719 0.000977
B 7.4125 3.46521 19.76249 -0.022208 -0.005846 -0.008491
B 5.18875 7.31758 19.80016 0.017438 0.000326 0.00254
B 7.4125 6.03346 19.78064 -0.009967 -0.007901 -0.002851
B 5.18875 9.88583 19.78133 0.015362 0.000508 -0.004012
B 7.4125 8.60171 19.80406 -0.013413 0.006339 0.003565
B 5.18875 12.45408 19.77491 0.024558 0.003925 -0.005178
B 7.4125 11.16996 19.80046 -0.012407 0.001679 0.002157
B 5.18875 15.02233 19.7995 0.017622 -0.011109 0.002263
B 7.4125 13.73821 19.80163 -0.016571 -0.005449 0.003121
N 1.4825 0.89696 19.796 -0.011258 0.015164 0.000466
N 3.70625 2.18108 19.80596 -0.006576 0.002121 0.005092
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168
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C 2.22018 11.45335 23.21393 0.005536 0.004398 0.000904
C 7.03146 10.28887 27.65801 0.001712 -0.000474 0.000902
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C 5.42157 4.91303 27.65806 -0.003019 -0.000973 -0.000923
C 0.50512 4.91365 23.05285 0.008642 -0.013701 0.000168
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C 5.87169 4.43817 23.98753 -0.028139 0.005057 0.001161
C 6.5628 6.90415 26.64122 -0.006233 0.005853 -0.00289
C 8.02457 7.10996 26.85052 0.003715 -0.001638 0.005096
C 1.79962 6.01806 24.84436 0.009624 0.014411 0.000845
C 0.72973 1.47894 23.88595 -2.8e-05 -0.018356 -0.000249
C 1.44295 6.90409 26.01861 0.007733 0.006634 8.4e-05
C 8.50924 6.71164 24.46848 -0.006817 0.029266 0.001983
C 8.8762 7.10984 25.80915 -0.007441 -0.006852 -0.004207
C 8.50915 0.78559 24.46832 0.003763 -0.027089 0.002373
C 6.66816 3.74851 29.44644 -0.002883 0.001014 0.000342
C 2.58438 4.91302 25.0013 0.007515 0.003344 0.00027
168
energy=-1497.81389601 config_type=nep2xyz pbc="T T T" virial="-19.16291018500403 0.007870674222002641 -0.03417754730097886 0.007870674222002641 -27.44786418874632 0.0049619467921321 -0.03417754730097886 0.0049619467921321 -4.001553435434256" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77433 0.005052 -0.003007 -0.005733
B 2.965 0.89696 19.80333 -0.002244 0.002656 0.003739
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B 2.965 3.46521 19.79703 -0.005261 0.002043 0.00161
B 0.74125 7.31758 19.79717 6.7e-05 -0.005964 0.000353
B 2.965 6.03346 19.80002 -0.003556 -0.005036 0.002446
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B 2.965 8.60171 19.78958 0.006909 0.011994 -0.000985
B 0.74125 12.45408 19.79719 -0.002534 -0.008791 0.000673
B 2.965 11.16996 19.76435 -0.006151 0.005783 -0.007395
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B 5.18875 2.18108 19.80305 0.011974 -0.001329 0.003022
B 7.4125 0.89696 19.78814 0.001259 0.014759 -0.001336
B 5.18875 4.74933 19.80074 0.010673 6.9e-05 0.002048
B 7.4125 3.46521 19.76354 -0.01039 -0.00762 -0.007954
B 5.18875 7.31758 19.8004 0.017774 0.008979 0.002145
B 7.4125 6.03346 19.7819 -0.002957 -0.009448 -0.003015
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B 7.4125 8.60171 19.8021 -0.013534 0.008574 0.001955
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B 7.4125 11.16996 19.79327 -0.023297 0.001611 -0.000163
B 5.18875 15.02233 19.79777 0.020429 -0.02047 0.001673
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N 3.70625 2.18108 19.80646 -0.008438 0.005387 0.005267
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C 0.72749 4.91365 23.05209 0.010884 -0.009267 0.000188
C 5.8925 3.74855 28.45723 -0.000343 0.000949 0.000339
C 8.26587 4.47139 22.7997 0.029627 -0.067704 -0.000219
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C 6.78518 6.90415 26.64116 -0.006137 0.006469 0.002219
C 8.24694 7.10996 26.85053 0.007378 -0.000764 -0.005176
C 2.022 6.01806 24.84416 0.007517 0.012731 0.000735
C 0.95211 1.47894 23.88589 -0.003787 -0.01655 0.000152
C 1.66532 6.90409 26.01847 0.007025 0.006206 -0.001265
C 8.73162 6.71164 24.46835 0.001039 0.026907 -0.000985
C 0.20357 7.10984 25.80894 -0.010799 -0.006143 0.005731
C 8.73153 0.78559 24.46834 0.008735 -0.025496 0.000816
C 6.89053 3.74851 29.44652 -0.002696 0.001295 0.000535
C 2.80676 4.91302 25.00113 0.008695 0.002325 -0.000335
168
energy=-1497.8130901 config_type=nep2xyz pbc="T T T" virial="-19.194692309715705 0.013003722627656538 -0.02382589968291017 0.013003722627656538 -27.46861025938584 0.005346925422556143 -0.02382589968291017 0.005346925422556143 -3.9725089365389312" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77413 0.002802 0.000361 -0.005609
B 2.965 0.89696 19.80312 -0.003972 0.004064 0.003913
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B 2.965 3.46521 19.79617 -0.007846 0.002323 0.001386
B 0.74125 7.31758 19.79687 0.000787 -0.008168 0.000509
B 2.965 6.03346 19.79922 -0.006239 -0.006709 0.002327
B 0.74125 9.88583 19.7997 -0.001157 0.011514 0.001515
B 2.965 8.60171 19.79075 0.008287 0.012164 -0.00071
B 0.74125 12.45408 19.79905 -0.001641 -0.008357 0.001178
B 2.965 11.16996 19.76837 -0.00597 0.007556 -0.007178
B 0.74125 15.02233 19.80054 -0.001044 0.004352 0.00214
B 2.965 13.73821 19.78827 0.002642 -0.008905 -0.001281
B 5.18875 2.18108 19.80321 0.009521 -0.001078 0.003156
B 7.4125 0.89696 19.7887 0.00402 0.016108 -0.001253
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B 7.4125 3.46521 19.76489 -0.003578 -0.00645 -0.007447
B 5.18875 7.31758 19.80028 0.016445 0.009543 0.001877
B 7.4125 6.03346 19.78316 0.000978 -0.011944 -0.002947
B 5.18875 9.88583 19.7726 0.022038 -0.000101 -0.006632
B 7.4125 8.60171 19.80108 -0.011705 0.006985 0.001177
B 5.18875 12.45408 19.76703 0.024111 0.008994 -0.007936
B 7.4125 11.16996 19.78905 -0.024596 0.000942 -0.001616
B 5.18875 15.02233 19.79688 0.020204 -0.02138 0.001391
B 7.4125 13.73821 19.7971 -0.019081 -0.003941 0.000594
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N 3.70625 2.18108 19.80603 -0.008696 0.004946 0.005167
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N 8.15375 15.02233 19.80065 0.000333 0.005069 0.001817
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C 4.85426 12.17614 22.80077 -0.030377 -0.066879 0.00012
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C 7.33528 3.74851 29.44671 -0.002831 0.001695 0.000362
C 3.25151 4.91302 25.00063 0.013678 -0.005414 0.000105
168
energy=-1497.81382908 config_type=nep2xyz pbc="T T T" virial="-19.201493598853194 0.019719460958387055 0.015014166586537649 0.019719460958387055 -27.448078065763223 0.0011977112946525757 0.015014166586537649 0.0011977112946525757 -3.9823472793164343" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77433 -0.003555 0.008263 -0.004827
B 2.965 0.89696 19.80221 -0.005058 0.011027 0.003373
B 0.74125 4.74933 19.76657 0.004501 -0.010854 -0.006684
B 2.965 3.46521 19.7922 -0.016347 0.002251 0.000245
B 0.74125 7.31758 19.79685 0.002158 -0.015786 0.000971
B 2.965 6.03346 19.79706 -0.008996 -0.012694 0.001683
B 0.74125 9.88583 19.80168 -0.000329 0.006199 0.001947
B 2.965 8.60171 19.79307 0.009838 0.009238 -0.000132
B 0.74125 12.45408 19.80164 0.001093 -0.004253 0.001891
B 2.965 11.16996 19.77546 -0.005281 0.007274 -0.005362
B 0.74125 15.02233 19.80167 -0.001035 0.011003 0.002806
B 2.965 13.73821 19.79155 0.006782 -0.006328 -0.000279
B 5.18875 2.18108 19.80279 0.004197 0.003838 0.003028
B 7.4125 0.89696 19.79095 0.010211 0.021022 -0.000625
B 5.18875 4.74933 19.80132 0.000394 -0.005294 0.002377
B 7.4125 3.46521 19.77038 0.009874 -0.001548 -0.005391
B 5.18875 7.31758 19.80041 0.012114 0.003959 0.001403
B 7.4125 6.03346 19.78727 0.009026 -0.019242 -0.001725
B 5.18875 9.88583 19.76745 0.017191 -0.011201 -0.007241
B 7.4125 8.60171 19.79956 -0.005337 0.000704 0.000114
B 5.18875 12.45408 19.76161 0.01565 0.021868 -0.008762
B 7.4125 11.16996 19.78092 -0.014669 -0.001782 -0.003327
B 5.18875 15.02233 19.79577 0.016548 -0.015223 0.000357
B 7.4125 13.73821 19.79487 -0.012536 0.002389 -0.000843
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N 3.70625 2.18108 19.80346 -0.007836 -0.000848 0.004128
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N 3.70625 4.74933 19.80016 -0.002146 0.005651 0.002945
N 1.4825 6.03346 19.78357 0.000823 0.00922 -0.00177
N 3.70625 7.31758 19.80196 -0.009477 0.006805 0.002774
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N 5.93 13.73821 19.77937 -0.014392 0.000721 -0.00445
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C 5.29901 12.17614 22.80161 -0.038882 -0.0511 0.000144
C 8.55877 12.24213 26.34456 0.005934 0.003267 0.001137
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C 2.64794 9.18385 24.84425 -0.009949 -0.004178 0.000626
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C 2.73445 8.96982 27.32202 -0.002235 0.003475 3e-05
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C 0.03799 4.47139 22.79846 0.017591 -0.068886 -9.1e-05
C 5.67323 4.53738 26.3443 -0.006857 0.002951 0.000493
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C 6.76119 4.43817 23.98812 -0.015115 0.017918 0.000434
C 7.4523 6.90415 26.64124 -0.006778 0.00811 0.000361
C 0.01907 7.10996 26.85031 0.00908 -0.002993 -0.00599
C 2.68912 6.01806 24.84351 -0.00122 0.012766 0.001065
C 1.61923 1.47894 23.88562 -9.2e-05 -0.016349 -0.00033
C 2.33245 6.90409 26.01805 0.007518 0.005929 -0.001907
C 0.50374 6.71164 24.46802 0.013315 0.017756 -0.000875
C 0.8707 7.10984 25.80867 -0.01061 -0.004764 0.006408
C 0.50365 0.78559 24.46841 0.008201 -0.018414 -0.000451
C 7.55766 3.74851 29.44672 -0.002814 0.001796 0.000339
C 3.47388 4.91302 25.00039 0.015493 -0.009579 -0.000594
168
energy=-1497.81515838 config_type=nep2xyz pbc="T T T" virial="-19.180405324986634 0.019505583941484807 0.015228043603439894 0.019505583941484807 -27.40209450712924 0.001283262101413474 0.015228043603439894 0.001283262101413474 -4.027903083916613" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77413 -0.00723 0.009328 -0.004047
B 2.965 0.89696 19.80146 -0.004445 0.014328 0.00251
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B 2.965 3.46521 19.78844 -0.019058 0.001848 -0.000541
B 0.74125 7.31758 19.7971 0.002178 -0.0189 0.001135
B 2.965 6.03346 19.7956 -0.008546 -0.014604 0.001185
B 0.74125 9.88583 19.80206 -0.001008 0.003147 0.001744
B 2.965 8.60171 19.7943 0.009625 0.007263 0.000113
B 0.74125 12.45408 19.80218 0.001396 -0.002295 0.001575
B 2.965 11.16996 19.77827 -0.005182 0.005621 -0.004497
B 0.74125 15.02233 19.80234 -0.002093 0.012795 0.002705
B 2.965 13.73821 19.7929 0.007649 -0.004429 -0.000162
B 5.18875 2.18108 19.80249 0.001879 0.006221 0.002653
B 7.4125 0.89696 19.79267 0.013168 0.022664 -8.1e-05
B 5.18875 4.74933 19.80107 -0.002554 -0.007359 0.002223
B 7.4125 3.46521 19.77434 0.014872 0.001022 -0.004014
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B 7.4125 8.60171 19.79905 -0.00185 -0.001556 -9.6e-05
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B 7.4125 11.16996 19.77725 -0.004562 -0.002395 -0.003982
B 5.18875 15.02233 19.79573 0.014346 -0.011108 0.000329
B 7.4125 13.73821 19.794 -0.008681 0.004595 -0.001201
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C 5.52138 12.17614 22.80214 -0.041904 -0.047316 4e-05
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C 2.91144 1.4791 24.84385 0.001023 -0.01745 1.5e-05
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C 2.82493 1.26507 27.32177 7.8e-05 0.006666 0.00033
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C 2.53567 12.1428 28.67174 3e-05 -0.00137 0.000501
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C 3.33206 11.45335 23.2145 -0.009518 0.005293 0.000278
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C 7.31811 6.0181 27.81558 0.002311 5e-06 0.000295
C 6.53344 4.91303 27.65835 -0.006188 -0.001686 0.000328
C 1.61699 4.91365 23.05101 -0.017726 -0.025098 -3.2e-05
C 6.782 3.74855 28.45746 -0.000985 0.001705 0.000367
C 0.26037 4.47139 22.79851 0.015136 -0.064841 -2.8e-05
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C 6.98355 3.05906 23.98847 -0.025117 -0.01269 0.000212
C 7.40456 6.23205 25.33788 -0.000811 0.006638 -9.3e-05
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C 2.82507 6.23204 27.32158 -0.000659 -0.007506 -0.000223
C 3.64238 5.15742 27.46107 -0.013097 -0.001137 0.00042
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C 1.90092 6.29236 28.44019 0.011526 -0.006018 0.000347
C 4.33403 4.53734 26.31439 0.002623 -0.000514 8e-06
C 0.26035 3.02591 22.80014 0.017119 0.049761 -3.6e-05
C 6.98357 4.43817 23.98812 -0.019119 0.016425 0.000206
C 7.67468 6.90415 26.64122 -0.00711 0.00876 0.000208
C 0.24144 7.10996 26.85018 0.007309 -0.004621 0.001607
C 2.9115 6.01806 24.84343 -0.002036 0.013285 -0.000244
C 1.84161 1.47894 23.88554 0.003761 -0.018322 0.000406
C 2.55482 6.90409 26.01794 0.008092 0.005759 0.000993
C 0.72612 6.71164 24.46795 0.013293 0.016771 0.000297
C 1.09307 7.10984 25.80868 -0.008134 -0.005077 -0.001004
C 0.72603 0.78559 24.46839 0.004394 -0.018207 -0.000596
C 7.78003 3.74851 29.4467 -0.00276 0.00182 0.000346
C 3.69626 4.91302 25.00024 0.016545 -0.0112 0.000553
168
energy=-1497.8164241 config_type=nep2xyz pbc="T T T" virial="-19.127235498584735 0.01890672829415852 0.01877840208401717 0.01890672829415852 -27.338359156092373 0.004405866548186262 0.01877840208401717 0.004405866548186262 -4.054509384819252" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77411 -0.010595 0.007407 -0.004146
B 2.965 0.89696 19.80013 -0.00321 0.015704 0.002097
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B 2.965 3.46521 19.78358 -0.019441 0.000553 -0.001766
B 0.74125 7.31758 19.79729 0.001485 -0.019892 0.001362
B 2.965 6.03346 19.79379 -0.007093 -0.014664 0.000569
B 0.74125 9.88583 19.80172 -0.003194 0.00103 0.001991
B 2.965 8.60171 19.79562 0.00864 0.006166 0.000396
B 0.74125 12.45408 19.802 -2.2e-05 -0.001099 0.001842
B 2.965 11.16996 19.78138 -0.005203 0.003833 -0.004062
B 0.74125 15.02233 19.80267 -0.003804 0.012502 0.003022
B 2.965 13.73821 19.79424 0.007482 -0.003937 0.000174
B 5.18875 2.18108 19.80172 0.000117 0.00745 0.002662
B 7.4125 0.89696 19.79457 0.015663 0.022217 0.000586
B 5.18875 4.74933 19.8004 -0.004274 -0.008492 0.002231
B 7.4125 3.46521 19.77897 0.018162 0.002316 -0.00316
B 5.18875 7.31758 19.8013 0.008005 -0.001639 0.001785
B 7.4125 6.03346 19.79296 0.015478 -0.021057 -6e-05
B 5.18875 9.88583 19.76673 0.009471 -0.016981 -0.00677
B 7.4125 8.60171 19.79849 0.002029 -0.001542 0.000109
B 5.18875 12.45408 19.75973 0.008571 0.027406 -0.008463
B 7.4125 11.16996 19.77436 0.006087 -0.002619 -0.004547
B 5.18875 15.02233 19.79593 0.012246 -0.008078 0.000487
B 7.4125 13.73821 19.79329 -0.004638 0.004951 -0.001253
N 1.4825 0.89696 19.79431 -0.003277 0.002889 0.000749
N 3.70625 2.18108 19.79769 -0.006671 -0.005338 0.001878
N 1.4825 3.46521 19.75711 0.037665 0.007002 -0.006834
N 3.70625 4.74933 19.79334 0.000852 0.010678 0.000645
N 1.4825 6.03346 19.78194 0.000601 0.017982 -0.002078
N 3.70625 7.31758 19.8018 -0.008047 0.004639 0.002476
N 1.4825 8.60171 19.80375 0.005581 0.002603 0.003228
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N 1.4825 11.16996 19.7988 0.017266 0.000543 0.001008
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N 5.93 13.73821 19.77826 -0.012401 -0.00369 -0.004418
N 8.15375 15.02233 19.8016 -0.006106 -0.012117 0.00219
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C 8.11712 11.4533 28.45747 -7e-05 -0.000992 0.000977
C 5.74376 12.17614 22.80265 -0.04334 -0.048368 3e-06
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C 0.83081 0.78538 28.19125 -0.001952 0.003999 -0.0014
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C 0.46382 7.10996 26.85007 0.006046 -0.005649 0.007108
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C 2.06398 1.47894 23.88548 0.006558 -0.020784 0.000929
C 2.7772 6.90409 26.01788 0.008551 0.005772 0.003322
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C 0.9484 0.78559 24.46829 0.001403 -0.020467 0.001238
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C 3.91863 4.91302 25.00021 0.015916 -0.009262 0.001298
168
energy=-1497.81732328 config_type=nep2xyz pbc="T T T" virial="-19.08655608996993 0.014843064973015851 0.009325037936937912 0.014843064973015851 -27.27565041473663 0.0 0.009325037936937912 0.0 -4.087574771632339" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77378 -0.013071 0.002785 -0.003892
B 2.965 0.89696 19.7986 -0.002357 0.01455 0.001435
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B 2.965 3.46521 19.77778 -0.015769 -0.000649 -0.002882
B 0.74125 7.31758 19.7975 0.00049 -0.018552 0.001444
B 2.965 6.03346 19.79185 -0.005431 -0.012691 -0.000165
B 0.74125 9.88583 19.80085 -0.006985 0.000305 0.001661
B 2.965 8.60171 19.79695 0.007397 0.006332 0.000717
B 0.74125 12.45408 19.8012 -0.003348 -0.001018 0.001571
B 2.965 11.16996 19.78427 -0.004999 0.002947 -0.003095
B 0.74125 15.02233 19.80299 -0.005746 0.009979 0.002931
B 2.965 13.73821 19.79557 0.006716 -0.005375 0.000573
B 5.18875 2.18108 19.80087 -0.00082 0.007222 0.002229
B 7.4125 0.89696 19.79659 0.017474 0.019372 0.001216
B 5.18875 4.74933 19.79969 -0.004769 -0.008227 0.001901
B 7.4125 3.46521 19.78361 0.019221 0.002735 -0.002026
B 5.18875 7.31758 19.80194 0.006394 -0.001688 0.001885
B 7.4125 6.03346 19.796 0.017197 -0.018768 0.000823
B 5.18875 9.88583 19.7682 0.006228 -0.014768 -0.006022
B 7.4125 8.60171 19.79771 0.005643 0.00127 0.000138
B 5.18875 12.45408 19.76064 0.006221 0.023471 -0.007682
B 7.4125 11.16996 19.7716 0.01527 -0.002703 -0.004822
B 5.18875 15.02233 19.79633 0.010623 -0.007122 0.000623
B 7.4125 13.73821 19.79231 -0.000752 0.002564 -0.00128
N 1.4825 0.89696 19.79405 -0.002007 0.00643 0.00035
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C 3.99918 11.45335 23.21388 0.011469 -0.00045 0.000262
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C 7.44913 3.74855 28.45731 -0.000866 0.000821 9.1e-05
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C 3.57862 6.01806 24.84373 0.009856 0.00914 0.000763
C 2.50873 1.47894 23.8855 0.005984 -0.026181 5.4e-05
C 3.22195 6.90409 26.01806 0.007157 0.005825 -0.00201
C 1.39324 6.71164 24.46791 0.012943 0.021247 -0.002078
C 1.7602 7.10984 25.80855 -0.012041 -0.004701 0.009652
C 1.39315 0.78559 24.46812 0.000348 -0.026322 6.8e-05
C 8.44716 3.74851 29.44655 -0.002392 0.001542 0.0005
C 4.36338 4.91302 25.00057 0.010178 0.002969 -0.000305
168
energy=-1497.81710035 config_type=nep2xyz pbc="T T T" virial="-19.0498547938695 0.005175823809034345 -0.02737625816348745 0.005175823809034345 -27.221838957284028 0.002780401219729194 -0.02737625816348745 0.002780401219729194 -4.079190792569771" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
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B 2.965 0.89696 19.79487 -0.00214 0.007161 -0.000124
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B 2.965 8.60171 19.79948 0.004611 0.010419 0.001929
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B 2.965 11.16996 19.79074 -0.002995 0.003141 -0.00121
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B 7.4125 3.46521 19.7916 0.01744 0.001664 -0.0008
B 5.18875 7.31758 19.8027 0.004264 0.003713 0.002921
B 7.4125 6.03346 19.80056 0.018507 -0.009078 0.002356
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B 7.4125 8.60171 19.79511 0.012003 0.012911 0.000383
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B 5.18875 15.02233 19.79722 0.009321 -0.011205 0.001293
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C 1.61553 0.78559 24.46808 0.00273 -0.028611 0.000285
C 8.66953 3.74851 29.44659 -0.002379 0.001285 0.000437
C 4.58576 4.91302 25.00081 0.007865 0.009857 0.00031
168
energy=-1497.81615682 config_type=nep2xyz pbc="T T T" virial="-19.069873682651554 0.00012832621014134742 -0.040850510228328925 0.00012832621014134742 -27.255460424341063 0.007956225028763541 -0.040850510228328925 0.007956225028763541 -4.06002741185533" Lattice="8.895 0.0 0.0 0.0 15.4095 0.0 0.0 0.0 50.0" Properties=species:S:1:pos:R:3:forces:R:3
B 0.74125 2.18108 19.77384 -0.010699 -0.010653 -0.004729
B 2.965 0.89696 19.79301 -0.002809 0.002992 -0.00086
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B 0.74125 9.88583 19.7954 -0.021503 0.003108 0.000595
B 2.965 8.60171 19.80091 0.003605 0.012539 0.002131
B 0.74125 12.45408 19.79487 -0.019545 -0.003267 0.000319
B 2.965 11.16996 19.79411 -0.001594 0.003478 2.8e-05
B 0.74125 15.02233 19.80213 -0.008685 -0.002485 0.00178
B 2.965 13.73821 19.7999 0.004112 -0.0162 0.002009
B 5.18875 2.18108 19.7968 -0.000648 0.003109 0.000698
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B 5.18875 9.88583 19.77869 0.003057 0.00881 -0.003089
B 7.4125 8.60171 19.79332 0.014604 0.019332 8.2e-05
B 5.18875 12.45408 19.77098 0.004284 -0.00694 -0.004593
B 7.4125 11.16996 19.76566 0.019904 -0.001715 -0.005914
B 5.18875 15.02233 19.79769 0.009084 -0.014075 0.001246
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C 2.06028 0.78559 24.46819 0.006736 -0.027132 -0.001478
C 0.21928 3.74851 29.44684 -0.002313 0.000813 0.000678
C 5.03051 4.91302 25.00122 0.006717 0.016197 0.000977