108 Lattice="10.411273644962426 0.0 0.0 0.0 10.411273644962426 0.0 0.0 0.0 10.411273644962426" Properties=species:S:1:pos:R:3:forces:R:3 energy=-415.37699988067834 stress="-0.009686417124261236 -0.00029807882526495074 0.0011246122137353678 -0.00029807882526495074 -0.008773269407115843 -0.0007216366271501345 0.0011246122137353678 -0.0007216366271501345 -0.009341080411267579" free_energy=-415.37699988067834 pbc="F F F" Ni 0.00091795 0.00085340 0.03004778 0.64012794 0.63801117 0.55977886 Ni 1.76146153 1.75744085 0.00560383 -0.35207409 -0.50948881 -0.47906762 Ni 1.75996415 0.00593601 1.71781735 -0.26420576 -0.38308207 -0.00705499 Ni 0.03060722 1.74024727 1.73173757 -0.39043300 -0.20776190 -0.15274470 Ni 3.49534473 0.00218176 0.03172860 -0.05462752 0.25135990 0.04460929 Ni 5.20271175 1.76614692 0.02233457 0.08520686 -0.53488836 -0.35930855 Ni 5.17868707 0.00600604 1.76208612 0.38690819 -0.20957321 -0.31575616 Ni 3.44630868 1.76133044 1.75723227 0.52508200 -0.42912464 -0.20583931 Ni 6.97352848 0.01072968 0.02345189 -0.12925634 0.36132851 0.38680012 Ni 8.66016092 1.78640551 0.03352593 -0.18178474 -0.25619177 0.11130272 Ni 8.68985311 0.03074158 1.78123881 -0.17370728 0.09910366 -0.25686875 Ni 6.96367476 1.71523499 1.75224151 -0.32557904 0.11289835 -0.29775987 Ni 0.01857999 3.46517694 0.00569434 0.22205158 0.14831114 0.24561335 Ni 1.76732151 5.21839658 0.03218119 -0.37501824 -0.18086105 -0.51217643 Ni 1.75474306 3.45669905 1.72947952 -0.32756805 0.25483281 0.21549011 Ni 0.02347469 5.22577286 1.76595792 -0.46592064 -0.38557871 -0.25451233 Ni 3.45702499 3.46034820 0.01999136 0.11610249 0.16602172 -0.44292894 Ni 5.14701720 5.18186466 0.02151501 0.32825793 0.25290917 -0.27134799 Ni 5.22261442 3.44638307 1.72987431 -0.18238302 0.25440612 0.43893224 Ni 3.43984067 5.22958980 1.77690800 0.46159114 -0.39144509 -0.15527815 Ni 6.90889507 3.49018201 0.03354970 0.38692231 0.02390227 -0.48990557 Ni 8.65801041 5.23655794 0.01696856 0.00964417 -0.30112186 -0.07575512 Ni 8.67946348 3.47684289 1.73549351 0.27058739 0.19602670 -0.03740861 Ni 6.96042239 5.22646473 1.74324457 -0.31587579 -0.36162266 0.00636352 Ni 0.01530473 6.93081371 0.02654552 0.11695916 0.02136508 0.08379646 Ni 1.72950593 8.65934356 0.01504880 0.20346918 -0.18095940 0.15206445 Ni 1.70752236 6.93910800 1.73729964 0.39302289 0.27052894 0.16660393 Ni 0.04300755 8.69926644 1.70533914 -0.06542362 -0.25449331 0.12199136 Ni 3.46056146 6.93589390 0.01914086 0.09071679 0.28524161 -0.31696566 Ni 5.17817451 8.68951391 0.00734758 0.17345600 -0.38685223 0.30702450 Ni 5.19609845 6.91801523 1.75973132 0.14063501 0.36797373 -0.21430747 Ni 3.49397489 8.66624703 1.76031574 -0.31014602 0.23719399 -0.24945508 Ni 6.94665577 6.93042199 0.02904765 -0.37596359 0.19462132 -0.63137110 Ni 8.67225219 8.65919722 0.02036469 -0.41200579 -0.49219936 0.38498894 Ni 8.66386605 6.92108578 1.71223716 0.70371361 0.44457216 0.34397692 Ni 6.96891093 8.65244026 1.71109711 -0.19928299 0.48870335 0.18482643 Ni 0.00300827 0.01701351 3.45878978 0.29427931 0.14867224 -0.00360866 Ni 1.75910581 1.71741817 3.46208714 -0.19233973 0.14009369 0.32636572 Ni 1.75410764 0.02562643 5.22699315 -0.12328795 -0.48443922 -0.31784875 Ni 0.01249336 1.74814828 5.18222057 -0.23396258 -0.14945911 0.25991246 Ni 3.50008103 0.01292063 3.47354437 -0.27070094 -0.41045959 0.14430542 Ni 5.23388993 1.72349171 3.49309745 -0.27609249 0.26500801 -0.38808088 Ni 5.22273588 0.02875661 5.21026706 -0.11846734 -0.68833412 0.12009952 Ni 3.50025952 1.73693845 5.23200740 -0.40222830 -0.03829176 -0.34038655 Ni 6.94332937 0.02768311 3.49133409 0.17113722 -0.79947214 -0.22670193 Ni 8.65504108 1.76187515 3.44701495 0.72349466 -0.11186711 0.43393829 Ni 8.67669271 0.01660596 5.22086570 -0.11166968 0.14325314 -0.06840878 Ni 6.94197833 1.71087375 5.18203601 0.29401620 0.43638717 0.70025832 Ni 0.01324287 3.45181575 3.47510132 -0.23014573 0.20776238 -0.01140104 Ni 1.76365035 5.17712096 3.45371190 -0.27532769 0.17228928 0.44684335 Ni 1.75910353 3.48340522 5.22671247 -0.13480556 -0.37985780 -0.24107223 Ni 0.02444697 5.23817111 5.22035125 -0.63060286 -0.48192668 -0.48401329 Ni 3.50296857 3.42866309 3.48200412 -0.14894640 0.38081611 -0.03463479 Ni 5.23568751 5.18226041 3.44707323 -0.21452692 0.07155766 0.44443618 Ni 5.19276390 3.43960515 5.23199907 0.48560344 0.47335559 -0.20731933 Ni 3.46606544 5.17932327 5.20644432 0.20837100 0.29421877 0.04335941 Ni 6.94684878 3.45485390 3.49152198 -0.18996771 0.29344982 -0.17323593 Ni 8.66199999 5.20406860 3.47444062 0.37629373 0.09805540 0.10832069 Ni 8.64324145 3.49809144 5.22962827 0.50003237 -0.27749097 -0.09473081 Ni 6.92563933 5.23439549 5.22416972 0.09325594 -0.28807797 -0.32220744 Ni 0.00664304 6.94071989 3.48363675 -0.41559924 0.15928795 -0.16312871 Ni 1.71605148 8.67304030 3.43734665 0.26947884 0.32608237 0.28649716 Ni 1.70430525 6.94774165 5.20762093 0.63534416 0.20488210 -0.23056356 Ni 0.02400296 8.68563951 5.19141478 0.12494735 -0.11445595 0.18539355 Ni 3.48225442 6.93360921 3.50850415 -0.21992657 0.12625258 -0.09721891 Ni 5.18314477 8.70867370 3.47458811 0.31408662 0.12879198 0.00373113 Ni 5.20224221 6.94437062 5.21886542 0.01250967 0.07678753 -0.25371560 Ni 3.47256290 8.68517982 5.23796255 -0.13450567 0.32362022 -0.35873862 Ni 6.95772580 6.96778972 3.46287209 -0.18554482 0.08137504 0.15432709 Ni 8.70787718 8.70574277 3.48838278 -0.41125093 -0.37776686 -0.15293584 Ni 8.64727297 6.97259640 5.21014320 0.34920830 -0.02633247 0.16104828 Ni 6.92206454 8.69803457 5.21123932 0.10569291 0.17879108 0.14141570 Ni 0.02296753 0.00458533 6.91825856 0.17503217 0.28243387 0.08117165 Ni 1.76557550 1.71576650 6.94194011 -0.48377224 0.27854826 0.17867405 Ni 1.71622710 0.02318780 8.68038203 0.13293496 0.11628472 -0.29822259 Ni 0.00702672 1.71124598 8.66549238 0.30094162 0.20065658 -0.39687666 Ni 3.49095739 0.00777591 6.93341845 -0.04372225 -0.52909480 0.24876252 Ni 5.19429492 1.76327387 6.93947192 0.46082226 -0.40846227 0.31458126 Ni 5.18551867 0.01199496 8.68575754 0.22065104 0.16888228 -0.23534655 Ni 3.48490578 1.71531233 8.67317735 -0.29649925 0.06600726 0.49180546 Ni 6.93020622 0.00988973 6.94082887 0.17448239 -0.34891699 0.15767575 Ni 8.70411051 1.72206321 6.95411958 0.27775987 -0.02011284 -0.14958432 Ni 8.69821871 0.01577064 8.65232867 -0.50254363 0.41631205 -0.49741080 Ni 6.97346534 1.71327210 8.64371473 -0.19011769 -0.10017669 0.57754032 Ni 0.00643168 3.48879716 6.92945918 -0.33017509 -0.26948083 0.15546094 Ni 1.71106641 5.22686356 6.90865841 0.57913024 -0.24825529 0.48176940 Ni 1.72636142 3.50442723 8.65015342 -0.08322819 -0.34817301 0.34824441 Ni 0.01388659 5.23679677 8.66618376 0.11962194 -0.02057312 -0.12003311 Ni 3.47907314 3.44707011 6.96215493 -0.13209889 0.59395417 0.07581603 Ni 5.22961201 5.21901214 6.90873332 -0.52480662 -0.36313191 0.78025828 Ni 5.19359025 3.44682299 8.70919263 0.24276462 0.34243972 0.12191124 Ni 3.43674577 5.22420618 8.70208698 0.41231100 -0.13964539 -0.02608705 Ni 6.97057067 3.45144135 6.96698729 -0.45596177 0.14354238 -0.12127877 Ni 8.64977676 5.20099522 6.95794275 0.50209587 0.22001643 0.07005246 Ni 8.67203285 3.45156115 8.68378038 -0.07522985 0.07683556 -0.08995446 Ni 6.95899936 5.22956832 8.69839765 -0.28257887 -0.34828048 0.34091108 Ni 0.02237774 6.92089341 6.92094086 -0.51509926 0.77909193 0.46159315 Ni 1.76911159 8.70692704 6.94595563 -0.63220829 0.24291033 0.11122020 Ni 1.76208498 6.94738920 8.65890597 -0.62740262 0.26202012 0.44248549 Ni 0.00088051 8.68722709 8.64900023 0.69538882 -0.71833526 -0.67757420 Ni 3.44073833 6.95904076 6.95109658 0.31529578 -0.52671268 -0.27664985 Ni 5.17593053 8.65072552 6.97383349 0.29696044 0.54591171 -0.25554706 Ni 5.19842437 6.96726241 8.69270531 -0.09275114 -0.45073217 0.37935467 Ni 3.47158332 8.66021639 8.66807829 -0.08020325 0.16964383 0.20782419 Ni 6.91504658 6.91928506 6.97486404 0.49765084 0.67015813 -0.17631806 Ni 8.67588350 8.69957268 6.94328245 -0.52191053 -0.52444848 0.10798197 Ni 8.65596076 6.93546555 8.69767635 -0.20877912 0.25055652 -0.40119561 Ni 6.91188044 8.66600919 8.66836256 0.28419296 -0.16829929 -0.23166682