256 Lattice="14.541799544691308 0.0 0.0 0.0 14.541799544691308 0.0 0.0 0.0 14.541799544691308" Properties=species:S:1:pos:R:3:forces:R:3 energy=-706.9552665759692 stress="-0.005027364045636025 -0.00021649722715667009 -0.00023821485369805536 -0.00021649722715667009 -0.005334054584311491 -0.00043113138579689976 -0.00023821485369805536 -0.00043113138579689976 -0.005236656863231689" free_energy=-706.9552665759692 pbc="F F F" Ni 0.02979191 0.01925411 0.01242782 -0.45751780 -0.39783963 -0.39420621 Ni 1.83222822 1.79293889 0.01814150 0.55146533 0.79218747 -0.91317930 Ni 1.79454405 0.02389040 1.83650530 0.78587978 -1.09434422 0.61943426 Ni 0.01220661 1.82005499 1.83008860 -0.86577013 0.56196554 0.57528262 Ni 3.62094613 0.00423643 0.02732895 0.15731326 -0.63321115 -0.56732451 Ni 5.48361115 1.79793440 0.03368376 -0.61277339 0.93606983 -0.76790409 Ni 5.43498614 0.03613219 1.84018914 0.20360626 -0.85142315 0.64878525 Ni 3.62997859 1.79024845 1.81889866 0.25112250 1.16046050 0.70712697 Ni 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12.73598006 0.00662157 5.47135218 0.38774197 -0.43844189 0.19430149 Ni 10.88857106 1.81006184 5.50892952 -0.68252376 0.85246483 -0.52054763 Ni 0.00695973 3.65978320 3.60050342 -0.56665472 -0.58800336 0.39327936 Ni 1.78939586 5.41757073 3.63228148 1.35991188 0.46817451 -0.23875713 Ni 1.80656717 3.65975282 5.43176905 0.85355321 -0.39492069 0.03056551 Ni 0.02276127 5.45984409 5.43074709 -0.63701384 0.19218424 0.12604536 Ni 3.65634366 3.60378076 3.65665656 -0.38103096 0.40560328 -0.47192866 Ni 5.43561192 5.44473075 3.66982294 0.24494947 0.29047916 -0.06485987 Ni 5.43719850 3.60796901 5.42799854 0.72617945 0.38556263 0.56798692 Ni 3.60362883 5.42049178 5.43629068 0.20632281 0.59545167 0.20560253 Ni 7.28499734 3.65577987 3.62723112 -0.11046581 -0.19162146 0.14066094 Ni 9.08846294 5.47780134 3.66706372 -0.13950728 -0.21158345 -0.52461483 Ni 9.10088365 3.66136282 5.47289347 -0.28185520 -0.31610308 -0.15466461 Ni 7.30107032 5.45656051 5.46535321 -0.26463130 -0.23909409 -0.14017656 Ni 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Ni 9.07728615 3.64541179 12.71274667 0.34540072 -0.22974970 0.25021194 Ni 7.25935531 5.40649586 12.73823599 -0.18649115 0.25157729 0.45735388 Ni 10.93925683 3.59682258 10.88818916 -1.33816398 0.39779263 -0.25844536 Ni 12.72566848 5.47774923 10.93136964 0.58892383 -0.27673081 -0.76878006 Ni 12.70097568 3.62331242 12.72054121 0.65864314 -0.00221916 0.48804823 Ni 10.92466169 5.42608250 12.75371426 -0.82614520 0.11157156 0.34767348 Ni 0.00983587 7.30662570 10.90735599 -0.71535429 -0.39236158 -0.52421751 Ni 1.83340219 9.12081205 10.94145439 0.74662206 -0.40466542 -1.40507036 Ni 1.81823490 7.29105693 12.69355897 0.66772478 -0.30795398 0.80219745 Ni 0.03212600 9.06354828 12.71513609 -0.66722197 0.20703591 0.77157643 Ni 3.66821438 7.28311109 10.91376909 -0.24709145 -0.39290519 -0.83029250 Ni 5.43819111 9.11458682 10.89588956 0.37094187 -0.25520758 -0.77493031 Ni 5.47587308 7.30683988 12.72042926 -0.15607709 -0.39228506 0.47732184 Ni 3.63255594 9.09476389 12.69052699 0.24131278 -0.04657250 0.84119634 Ni 7.27357199 7.29544308 10.91206786 -0.21325383 0.07016637 -0.77759704 Ni 9.11788518 9.10998723 10.92474498 -0.58179258 -0.19292932 -0.79330050 Ni 9.05982855 7.23552661 12.74279301 0.03472662 0.25708953 0.42609077 Ni 7.23576772 9.11322641 12.75413676 0.53751862 -0.10476465 0.25148942 Ni 10.87170647 7.25756191 10.92300280 -0.63476217 0.14353900 -0.72331289 Ni 12.75456060 9.05289668 10.89289940 0.21164675 0.29800444 -0.40347717 Ni 12.72250708 7.26768183 12.71477643 0.32849118 0.16851500 0.60167322 Ni 10.89000952 9.11778301 12.73281181 -0.30874246 -0.46854719 0.51608674 Ni 0.01451021 10.87056565 10.92433996 -0.63476363 -0.19089382 -0.64665170 Ni 1.83378721 12.74527239 10.93602162 0.15161838 0.45855674 -0.86231456 Ni 1.83940594 10.91375965 12.75986750 0.40716517 -0.51610745 0.76955317 Ni 0.01896891 12.69807251 12.72727158 -0.37462853 0.31481339 0.31155974 Ni 3.60381760 10.90472634 10.90990572 0.42379576 -0.36575645 -0.99903889 Ni 5.48866460 12.74281021 10.94201977 -0.52317386 0.57799281 -0.95549941 Ni 5.47033427 10.90204487 12.70062083 -0.51286687 -0.34619375 0.80525047 Ni 3.62391581 12.75089614 12.70266197 0.29983792 0.35718744 0.58706095 Ni 7.23492095 10.91449757 10.90767499 0.55885995 -1.12378537 -0.62126384 Ni 9.04299110 12.69261792 10.87664299 0.28647962 0.71668951 -0.24306567 Ni 9.10785801 10.90888948 12.74938445 -0.33333925 -0.45847638 0.41210011 Ni 7.27849075 12.71130611 12.71851749 0.15176478 0.51653223 0.69227076 Ni 10.91056232 10.91116807 10.89603558 -0.62754145 -0.83733844 -0.47620574 Ni 12.69115897 12.69010899 10.91975524 0.76023622 0.63707408 -0.28522490 Ni 12.73559348 10.87962503 12.75334244 0.32896898 -0.28540311 0.35670430 Ni 10.87279560 12.75939457 12.72940593 -0.33698904 0.33968038 0.35994018