108 Lattice="10.95239206183439 0.0 0.0 0.0 10.95239206183439 0.0 0.0 0.0 10.95239206183439" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.82938607954776 stress="-0.00683644062087577 0.0003355777690081565 -0.0005256673505500975 0.0003355777690081565 -0.006577738262795804 0.0003940687147371653 -0.0005256673505500975 0.0003940687147371653 -0.006123237125289658" free_energy=-272.82938607954776 pbc="F F F" Ni 0.01485023 0.00530616 0.00368333 -0.28982339 -0.31696180 -0.20023610 Ni 1.79909239 1.81862829 0.02669921 0.83491436 0.61427430 -0.81239887 Ni 1.83446672 0.03034711 1.84277518 0.63982681 -0.90588962 0.37398987 Ni 0.02199342 1.79254790 1.85733184 -0.98741451 0.84471058 0.13773877 Ni 3.69592007 0.03048428 0.02536475 -0.20628693 -0.40270723 -0.53670028 Ni 5.50662041 1.85548780 0.01414164 -0.34366693 0.68639343 -0.50497653 Ni 5.48957358 0.00158320 1.81185251 -0.14805759 -0.66752061 0.74568732 Ni 3.64373811 1.81377652 1.82971585 0.40505348 1.12334960 0.74968954 Ni 7.33610866 0.03430216 0.00648836 -0.71875463 -0.69725111 -0.66740028 Ni 9.12054526 1.81792909 0.02045114 0.53565312 0.77678183 -0.56242008 Ni 9.12888857 0.02137969 1.79861704 0.56802937 -0.53011659 0.72295377 Ni 7.26748033 1.80621507 1.82205432 -0.15254330 1.03782460 0.86249736 Ni 0.01882449 3.66577421 0.02479760 -0.61808996 -0.32586311 -0.43182810 Ni 1.78895493 5.45134892 0.00337022 0.97201598 0.17152502 -0.45222874 Ni 1.82291819 3.61114399 1.83703330 0.92998564 0.36808364 0.58405388 Ni 0.01591179 5.45173273 1.81554720 -0.56667134 0.16373169 1.01625069 Ni 3.63200755 3.68104016 0.00034700 0.26914369 -0.25797453 -0.18224943 Ni 5.48129490 5.49483903 0.00556091 -0.06738369 -0.05410643 -0.24300795 Ni 5.50316905 3.68190135 1.85302150 -0.61379525 -0.17194019 0.22166223 Ni 3.61826833 5.47263237 1.82216058 0.25666879 -0.10149596 0.60611109 Ni 7.30659396 3.67518702 0.03289466 -0.58583813 -0.03225469 -0.62834651 Ni 9.10916952 5.49868743 0.01066876 0.54795440 -0.17328698 -0.47039335 Ni 9.09442871 3.65411752 1.82820885 0.61718017 -0.15477177 0.75327987 Ni 7.32203028 5.48965617 1.83837562 -1.07847489 0.15441052 0.68074512 Ni 0.00970095 7.26355416 0.03387783 -0.47879262 -0.13412611 -0.59080301 Ni 1.84203871 9.14596895 0.02553771 0.32180699 0.39951416 -0.50524251 Ni 1.81008557 7.31639989 1.84004465 0.76756547 -0.96585227 0.43533377 Ni 0.01155921 9.12910323 1.81292248 -0.60622678 0.46520330 0.47041240 Ni 3.62317496 7.30477407 0.00041732 0.11253460 -0.64205903 -0.38625826 Ni 5.49497802 9.11845553 0.03626572 -0.24897373 0.31835883 -0.40520034 Ni 5.44780812 7.28687578 1.84376969 0.28832599 -0.74692769 0.70103903 Ni 3.64838606 9.11686816 1.85363361 0.09915296 0.54855910 0.29159986 Ni 7.32729205 7.31684493 0.02465224 -1.02908323 -0.74303290 -0.91612356 Ni 9.15905801 9.09255559 0.02755538 0.42880178 0.50397732 -0.54032046 Ni 9.09205613 7.32273521 1.79627957 0.99943135 -0.71891960 1.26031065 Ni 7.33314376 9.10685175 1.79744517 -0.87415219 0.77079490 1.15257687 Ni 0.00525940 0.00628743 3.61874699 -0.48673826 -0.50829711 0.34944350 Ni 1.79763656 1.84600560 3.65467166 1.25265678 0.51706296 0.08346802 Ni 1.80433695 0.01386971 5.45239905 0.56149145 -0.60036275 0.14518068 Ni 0.03171478 1.85503602 5.47283978 -0.77091278 0.25916421 -0.00065736 Ni 3.62521078 0.02063927 3.65863419 0.14227107 -0.47510922 -0.28820216 Ni 5.50861834 1.80013150 3.62551091 -0.61474285 1.16550789 0.31340613 Ni 5.42564713 0.01008203 5.43704785 0.38396404 -0.46284624 0.26588756 Ni 3.63534438 1.79006014 5.45533387 0.35289166 1.49364775 0.15574932 Ni 7.32274015 0.00617547 3.63780427 -0.59930066 -0.69519250 0.20831347 Ni 9.12614090 1.80555560 3.68291947 0.39655638 0.76435828 -0.43413958 Ni 9.15058819 0.00457054 5.48219957 0.20508938 -0.45761806 0.04075104 Ni 7.29013970 1.83142117 5.45473282 -0.70321734 0.73296043 0.21704189 Ni 0.03301530 3.63677990 3.62430970 -0.60523031 0.36597878 0.33798580 Ni 1.83342643 5.47778159 3.62653500 0.69206870 -0.29530233 0.36398440 Ni 1.86023633 3.62230699 5.46754720 0.71208912 0.58349072 -0.11011002 Ni 0.02657166 5.47878509 5.46754126 -0.43525334 -0.41941475 -0.27568618 Ni 3.65745133 3.65580208 3.62300280 0.18867312 -0.19455602 0.38550234 Ni 5.48541288 5.44429131 3.64395691 -0.35691173 0.43886769 0.23104430 Ni 5.47850978 3.66121922 5.50221316 -0.31403595 -0.30745157 -0.20073641 Ni 3.66103089 5.44770527 5.49001494 -0.17933915 0.29115084 -0.42357289 Ni 7.26667302 3.65953274 3.62324013 -0.23771236 -0.11364785 0.49218155 Ni 9.11213475 5.49981125 3.63729590 0.37186675 -0.08904629 0.29383114 Ni 9.13118586 3.63732208 5.43765827 0.13978259 0.38613532 0.05899700 Ni 7.27076447 5.46277772 5.49055155 -0.41653401 -0.10777301 -0.01677131 Ni 0.02583755 7.32168571 3.68019774 -0.78277981 -0.76816289 -0.34071421 Ni 1.82347947 9.12009381 3.62673226 0.64287352 0.65601692 0.40055182 Ni 1.79369395 7.28769445 5.46063806 1.60732717 -0.70290074 -0.04207982 Ni 0.03592373 9.11015677 5.50864500 -0.46740929 0.78112267 -0.25477948 Ni 3.62799284 7.28044521 3.62454423 0.37188479 -0.71120015 0.75670844 Ni 5.45951087 9.13719781 3.64329631 0.06165609 0.17058981 0.14258224 Ni 5.49225725 7.28069109 5.47773373 -0.59176027 -0.62302584 -0.29278093 Ni 3.63492032 9.12935782 5.50165939 0.18016727 0.17356781 -0.49747845 Ni 7.30046790 7.29924323 3.68729533 -0.81708026 -0.71830777 -0.49789837 Ni 9.13583433 9.15793666 3.68200311 0.34992271 0.16131859 -0.22430352 Ni 9.09584474 7.32245635 5.50797280 0.67499054 -1.07397337 -0.12850719 Ni 7.30672823 9.09263360 5.44577630 -0.87111366 0.89522977 0.38657851 Ni 0.03383962 0.00064855 7.33485019 -0.68303687 -0.34977841 -0.73518803 Ni 1.82091976 1.83215331 7.30107412 0.81401879 0.68425687 -0.77662587 Ni 1.80943077 0.01512364 9.09697056 0.62405432 -0.50745618 0.81012895 Ni 0.01080117 1.84185855 9.16056483 -0.48377045 0.52597312 0.29921346 Ni 3.63000889 0.02856058 7.32373602 0.18414736 -0.51072022 -0.78895104 Ni 5.49912425 1.82438949 7.29886283 -0.57426272 1.08799671 -0.83586092 Ni 5.46036599 0.03282103 9.12637960 0.01158261 -0.41005187 0.45710706 Ni 3.64018680 1.84578794 9.14670979 0.24519202 0.41326563 0.35571936 Ni 7.28579229 0.01036070 7.30528143 -0.42325036 -0.56883520 -0.76730253 Ni 9.15674820 1.83357891 7.26865291 0.33848867 0.58054063 -0.45189719 Ni 9.13036833 0.03404595 9.11025379 0.17979251 -0.16348884 0.21781377 Ni 7.29181083 1.86025189 9.10199037 -0.42392915 0.35729110 0.66447859 Ni 0.03555033 3.66689888 7.27648088 -0.54879574 -0.07027784 -0.35911488 Ni 1.80302845 5.50421962 7.30569783 1.22743223 -0.19896387 -0.77120866 Ni 1.85814103 3.62020467 9.11125225 0.21019398 0.54636566 0.64961639 Ni 0.01010909 5.47687053 9.10264919 -0.35866606 -0.04640617 0.42327581 Ni 3.61648843 3.68805853 7.32772177 0.43519671 -0.46146333 -1.03108027 Ni 5.41419060 5.47782471 7.33686573 0.55531970 -0.19767311 -1.06266285 Ni 5.45703109 3.66935222 9.15554582 -0.04587388 -0.14179009 0.18176674 Ni 3.66331378 5.50132409 9.16016167 -0.30418820 -0.13900661 0.34136435 Ni 7.32409864 3.67887028 7.32620696 -1.05457050 -0.18212827 -1.01164176 Ni 9.10954121 5.44588508 7.33522468 0.50329608 0.18364906 -0.87860093 Ni 9.14633603 3.61581946 9.14251502 0.35571816 0.13699790 0.42094435 Ni 7.27722231 5.47004579 9.14311584 -0.40674839 -0.08418325 0.43746548 Ni 0.00631714 7.31198664 7.25158454 -0.69291683 -0.61585752 0.07414705 Ni 1.85017902 9.11060389 7.30921499 0.26701666 0.58857426 -0.52958575 Ni 1.84768012 7.29198157 9.13461959 0.33609115 -0.44560019 0.48203037 Ni 0.00888527 9.11763246 9.12349994 -0.15884000 0.11438365 0.12752109 Ni 3.66280203 7.31505615 7.27527729 -0.22601761 -1.11019622 -0.63684827 Ni 5.45521080 9.10743262 7.33764654 0.26040421 0.68252307 -0.95201727 Ni 5.48051347 7.27883766 9.11208889 -0.15771638 -0.25800176 0.72797892 Ni 3.63504925 9.13269093 9.09214999 0.15479416 0.33335834 0.67189618 Ni 7.26530593 7.31805415 7.29391991 -0.45493824 -1.01531124 -0.52667388 Ni 9.15070341 9.10700262 7.31202563 0.24625184 0.56967284 -0.39115239 Ni 9.09158640 7.29136844 9.11268832 0.46648607 -0.47264045 0.50464956 Ni 7.29914525 9.12394170 9.15443136 -0.43612284 0.42856520 0.32872599