256 Lattice="13.92061044198979 0.0 0.0 0.0 13.92061044198979 0.0 0.0 0.0 13.92061044198979" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1009.6330240311678 stress="-0.008956692518713323 -5.444100904265401e-05 -0.00020851781411026642 -5.444100904265401e-05 -0.00884701208428101 0.0005259606089561183 -0.00020851781411026642 0.0005259606089561183 -0.009058233757111732" free_energy=-1009.6330240311678 pbc="F F F" Ni 0.00692460 0.02460959 0.00768717 0.29160124 0.42091190 0.35450152 Ni 1.72590902 1.76034342 0.01099384 0.18987338 -0.06231896 -0.35396993 Ni 1.70721740 0.02742251 1.71759173 0.29412697 -0.36291481 0.20302164 Ni 0.01630196 1.76385912 1.76375064 -0.59968976 -0.13771333 -0.38365974 Ni 3.49009557 0.02694964 0.04657801 -0.09842948 -0.24589863 -0.31337690 Ni 5.20600485 1.76452529 0.01844121 0.23283482 -0.02120448 -0.43853537 Ni 5.24563920 0.00194264 1.73364363 -0.03860114 -0.34816715 0.19092155 Ni 3.50523531 1.71551293 1.70825952 -0.37887407 0.55833846 0.70404302 Ni 6.94446928 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0.02119922 -0.24080147 0.34216784 -0.52355434 Ni 5.20722865 8.69641702 0.03235800 0.22364321 0.10401590 -0.49297165 Ni 5.18877342 6.98060837 1.71646997 0.58219233 -0.19500068 0.62561973 Ni 3.48363999 8.71934538 1.74634881 -0.41743786 -0.18810735 0.27828092 Ni 6.97414126 6.96178477 0.03092740 -0.16547390 0.23971607 -0.52947010 Ni 8.70852024 8.68476227 0.02800772 -0.05785971 0.27179757 -0.46488698 Ni 8.71561092 6.97761673 1.75154132 0.11345070 -0.18943006 0.41721529 Ni 6.97150312 8.68527521 1.74213874 -0.17457886 0.23866937 0.20326986 Ni 10.46472532 6.97042998 0.03282500 -0.08655396 -0.20158431 -0.40704463 Ni 12.19860216 8.67607452 0.03257060 -0.08803319 0.23365108 -0.05165869 Ni 12.19346451 6.98718649 1.73843896 0.14738923 -0.44247535 0.26724212 Ni 10.40747343 8.68760502 1.74913960 0.15300236 0.22160007 0.23630685 Ni 0.03136623 10.42697691 0.01092573 -0.22660535 0.13827687 0.13248636 Ni 1.72079183 12.17458620 0.01280397 0.23822724 -0.11124628 0.11244958 Ni 1.72198020 10.44435063 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0.06387212 3.44822858 -0.09109313 -0.16443423 0.19441885 Ni 1.75998844 1.76987144 3.46498059 0.25075365 -0.43398017 0.20351499 Ni 1.73256448 0.01585131 5.18672623 0.09355295 -0.26472961 0.12288737 Ni 0.01053862 1.74425706 5.23219007 -0.31003788 -0.06890236 -0.12502922 Ni 3.49557517 0.03329100 3.49250039 -0.21048078 -0.34511932 -0.30778300 Ni 5.24715945 1.71124496 3.46868082 -0.43313398 0.78529054 0.11581335 Ni 5.21943011 0.03307330 5.20519146 0.02768650 -0.63455577 0.25360043 Ni 3.50627603 1.73770708 5.24888577 -0.47515511 0.29735036 -0.28060144 Ni 6.95115856 0.02472489 3.50044320 0.35584546 -0.32780884 -0.08541763 Ni 8.71084351 1.74748730 3.50256724 -0.27543189 0.15475255 -0.28448614 Ni 8.71097666 0.02643433 5.22875703 -0.10746901 -0.39250724 -0.03345770 Ni 6.93016737 1.77206465 5.24972690 0.29144300 -0.24629977 -0.35797049 Ni 10.44399979 0.01709766 3.50122331 0.13701353 -0.36602906 -0.28062971 Ni 12.18394767 1.75798821 3.50028163 0.10107768 -0.00257541 -0.48924278 Ni 12.21267909 0.04618786 5.20404113 -0.12149596 -0.17786220 0.02790619 Ni 10.41571015 1.72339835 5.20519377 0.36410761 0.35054987 0.17763308 Ni 0.03140797 3.45300084 3.48795697 -0.70261798 0.43627174 0.09399013 Ni 1.74228484 5.21186875 3.45809563 0.30681437 0.23661994 0.17485740 Ni 1.73077347 3.48219426 5.18578644 0.40194129 -0.04545314 0.65293007 Ni 0.03049288 5.23559436 5.24627463 -0.53951743 -0.10535985 -0.42462376 Ni 3.45510199 3.47032585 3.49352300 0.42244810 -0.14424002 -0.26987889 Ni 5.19430037 5.19064935 3.47505018 0.43034186 0.29084266 0.10196971 Ni 5.18677211 3.46813048 5.25315810 0.31869044 0.18346546 -0.27367173 Ni 3.47640046 5.19061929 5.22960611 -0.22112765 0.50039964 -0.14933842 Ni 6.94896053 3.47755153 3.53825594 -0.13253384 0.16147550 -0.50317470 Ni 8.67821666 5.19275108 3.47092062 0.36233336 0.27204769 0.22842870 Ni 8.70449870 3.44844229 5.21531140 0.01587654 0.44297346 -0.08871914 Ni 6.98728309 5.23967616 5.23997939 -0.36872829 -0.45003901 -0.15875017 Ni 10.45700753 3.50397752 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3.51170240 12.19645628 -0.14367979 -0.21063193 0.23009350 Ni 6.94885728 5.27098559 12.17371805 0.13809498 -0.22963800 0.35043017 Ni 10.45212158 3.49978229 10.47010714 -0.27307280 -0.07564916 -0.42597656 Ni 12.19750070 5.24438728 10.42816324 0.09251421 -0.06884101 0.14974882 Ni 12.17920808 3.45432760 12.19636428 -0.09992435 0.18568369 -0.11741619 Ni 10.44248247 5.21669135 12.18331021 0.15166895 0.15301074 0.24487724 Ni 0.01125381 6.96511828 10.46910229 -0.29119840 -0.07465554 -0.43952231 Ni 1.75327190 8.70802109 10.44229442 0.18010764 0.09532384 -0.35097334 Ni 1.72260075 6.94886621 12.16541278 0.33316897 -0.09406230 0.38970809 Ni 0.05354092 8.68683975 12.16759744 -0.22758088 0.11795144 0.22842046 Ni 3.45513800 6.94052100 10.44827577 0.28188161 -0.08146774 -0.34268702 Ni 5.19249314 8.67104872 10.45801900 0.11211673 0.27037134 -0.65896744 Ni 5.22394349 6.96301356 12.16799556 -0.30484102 -0.19819701 0.23013926 Ni 3.43871541 8.67809155 12.15247279 0.22221450 0.34255693 0.42241347 Ni 6.96995686 6.94905070 10.42898973 -0.19860222 0.28832269 -0.29388644 Ni 8.73359485 8.68234410 10.41540097 -0.46219590 0.30439055 -0.16171032 Ni 8.72018878 6.98409600 12.15752394 -0.24315741 -0.06114908 0.52236653 Ni 6.93234207 8.70232433 12.14749897 0.42704906 -0.26423261 0.29659949 Ni 10.42320375 6.96259794 10.46210786 0.31514493 -0.20116609 -0.52724370 Ni 12.20798476 8.66766855 10.42733587 0.09004959 0.31652012 0.28672698 Ni 12.17059745 6.98207769 12.20449097 -0.11010570 -0.13745128 -0.16489708 Ni 10.44578319 8.70313691 12.16918775 -0.02009564 0.32743248 0.17985100 Ni 0.01881374 10.41052169 10.45015391 -0.35417146 0.30250672 -0.24447367 Ni 1.75300822 12.15026661 10.40916909 -0.02640962 0.49876147 0.19646066 Ni 1.71818086 10.46440694 12.18553629 0.32495037 -0.16048437 0.21142311 Ni 0.02871599 12.16318688 12.14893342 0.24770695 -0.21469554 -0.33483861 Ni 3.49199804 10.47345096 10.41404846 0.07688571 -0.43321574 0.16624632 Ni 5.23982903 12.17798737 10.47434466 -0.24964866 0.19842741 -0.32985413 Ni 5.25041605 10.40955382 12.16727797 -0.42531580 0.17339512 0.25695573 Ni 3.46164020 12.15575234 12.21495102 0.13972279 -0.15270957 -0.25127271 Ni 6.97601082 10.42187896 10.41960661 -0.18887488 -0.19289868 -0.25236775 Ni 8.67297926 12.17241682 10.45062148 0.35755277 0.29026508 -0.04942337 Ni 8.65040733 10.44256473 12.16982890 0.38447052 -0.17006202 0.21247320 Ni 6.93858682 12.19117164 12.15849921 0.09678663 -0.06643571 0.12329523 Ni 10.44668600 10.47175883 10.42270869 -0.11367139 -0.44503632 0.23127522 Ni 12.15874991 12.19265229 10.46960182 0.05429059 -0.13389345 -0.18633537 Ni 12.16824807 10.44710551 12.17168200 -0.07706891 -0.17334833 -0.17522030 Ni 10.43946518 12.16362740 12.18536558 -0.21309840 -0.12924399 -0.09061744