108 Lattice="10.948451448244494 0.0 0.0 0.0 10.948451448244494 0.0 0.0 0.0 10.948451448244494" Properties=species:S:1:pos:R:3:forces:R:3 energy=-274.2988148863281 stress="-0.005665670715230504 0.0013983291767725383 -0.000251895864198934 0.0013983291767725383 -0.005018855797331948 -0.0009571486075224336 -0.000251895864198934 -0.0009571486075224336 -0.006030719028971286" free_energy=-274.2988148863281 pbc="F F F" Ni 0.02489712 0.00296761 0.01967014 -0.45389293 -0.32469467 -0.53130302 Ni 1.85611054 1.80758831 0.02496926 0.35411306 0.86531262 -0.75482357 Ni 1.79639891 0.00163024 1.78897592 1.05956199 -0.75716768 0.95853115 Ni 0.00415965 1.79739287 1.82186618 -0.78422736 0.93623430 0.48247118 Ni 3.67978622 0.02277143 0.00586403 -0.04035735 -0.49806903 -0.37590563 Ni 5.45029967 1.85449143 0.02287602 0.29646671 0.29519423 -0.64989258 Ni 5.45130312 0.01960589 1.84470366 0.11312730 -0.66840531 0.26876083 Ni 3.65985765 1.83753549 1.84259781 -0.14068327 0.69575725 0.95712711 Ni 7.32316521 0.02832733 0.03353803 -0.76236548 -0.31051695 -0.52589999 Ni 9.14369705 1.85845570 0.02505640 0.46786258 0.35486936 -0.43709659 Ni 9.09643578 0.03448372 1.81926004 0.62105525 -0.47085437 0.65325807 Ni 7.27695896 1.85335452 1.85725776 -0.24917599 0.42735292 0.34827210 Ni 0.01677981 3.67905740 0.00115455 -0.16645538 -0.16802822 -0.25769706 Ni 1.85453639 5.49668530 0.00059529 0.61498002 -0.40244214 -0.46803911 Ni 1.83480174 3.62106382 1.85519487 0.43898800 0.31030536 0.38049194 Ni 0.00082326 5.49429835 1.80551467 -0.45924302 -0.53439080 0.80542627 Ni 3.65742743 3.64368957 0.03399488 -0.23199309 0.10909860 -0.51037250 Ni 5.44511629 5.45058320 0.03204309 0.13576544 0.00576516 -0.54473360 Ni 5.50019878 3.62950327 1.81093710 -0.44898721 0.44320567 1.37688973 Ni 3.63424848 5.43317466 1.85135130 0.27492804 0.29041386 0.81549833 Ni 7.32603500 3.63154190 0.02706676 -0.70632351 0.23883435 -0.63016718 Ni 9.15968863 5.44468636 0.02267887 0.22276350 0.18998392 -0.48127944 Ni 9.15800618 3.67256596 1.83212392 0.47142069 -0.27835618 0.68602935 Ni 7.29713221 5.47242170 1.81339565 -0.77089576 -0.26336206 0.78415709 Ni 0.02365483 7.27749175 0.02297084 -0.59998915 -0.22882852 -0.65902619 Ni 1.84725819 9.09630076 0.02551565 0.34068645 0.59614725 -0.69982289 Ni 1.83983994 7.27273871 1.80899916 0.88456051 -0.39032614 1.06595242 Ni 0.03590728 9.14483810 1.80303903 -0.46634055 0.36178671 0.59011596 Ni 3.66195698 7.32039625 0.00826311 0.24483567 -0.86925929 -0.51512705 Ni 5.47410510 9.15694936 0.01428202 0.12208285 0.28627905 -0.41812615 Ni 5.47959315 7.26440600 1.81745810 -0.35066262 -0.38800951 1.08359140 Ni 3.67380279 9.12856382 1.79178894 -0.17867185 0.40282842 1.06022548 Ni 7.28222758 7.30836699 0.02944303 -0.60866553 -0.74882687 -0.74718903 Ni 9.08747037 9.08995290 0.02171044 0.31062205 0.39200699 -0.26600505 Ni 9.09076562 7.28436428 1.81893687 0.78120904 -0.47107088 0.47172897 Ni 7.27414778 9.15734201 1.85840418 -0.53076968 0.50844323 0.39734312 Ni 0.01812297 0.00864619 3.66431413 -0.48879053 -0.68881672 -0.13005307 Ni 1.79637164 1.80879922 3.63663761 1.32643110 0.78860424 0.14446233 Ni 1.80712897 0.03634010 5.49892134 0.93856536 -0.70748885 -0.32293853 Ni 0.01154805 1.80022037 5.43853876 -0.63300093 0.94919367 0.49917618 Ni 3.63530008 0.01164096 3.65221678 -0.19402246 -0.46633310 0.00649385 Ni 5.47840800 1.79590736 3.62671190 -0.19738150 1.44920455 0.65571875 Ni 5.43313019 0.00617020 5.49366422 0.29588303 -0.47723774 -0.21421942 Ni 3.66247018 1.83075958 5.44745896 -0.31791957 0.89618132 0.14632220 Ni 7.27455953 0.01383688 3.63548455 -0.45467759 -0.65526562 0.21943473 Ni 9.12975887 1.81913332 3.68066327 0.56831625 0.68042571 -0.24903158 Ni 9.10240789 0.01205913 5.46374057 0.47183554 -0.63662812 0.06803292 Ni 7.32543636 1.80186242 5.47556710 -1.30295043 1.19635464 -0.09954865 Ni 0.02955271 3.62065767 3.67800366 -0.65097905 0.32219472 -0.32755152 Ni 1.79352334 5.46223238 3.63653649 0.97876962 0.02286267 0.20827122 Ni 1.81955838 3.66076206 5.47382717 1.14625952 -0.20710847 0.17563186 Ni 0.00210772 5.46080160 5.48029562 -0.40972304 0.32759152 -0.18255044 Ni 3.62222266 3.67289949 3.68494276 0.46150628 -0.32599696 -0.27058232 Ni 5.48322461 5.47364642 3.65356990 0.00765243 -0.25441694 -0.16677290 Ni 5.44481122 3.65731559 5.48894562 0.54309893 -0.14398888 -0.55465424 Ni 3.67437470 5.50239607 5.42997575 -0.20497424 -0.19196665 0.51644341 Ni 7.33222769 3.63473836 3.61715693 -1.30685299 0.23457133 0.60762344 Ni 9.11312739 5.47010369 3.61893507 0.54069878 0.27119170 0.24068741 Ni 9.12405523 3.69903677 5.44838414 0.39916697 -0.27068264 0.06461222 Ni 7.33005648 5.50315337 5.43771333 -1.31324326 -0.20833216 0.11276020 Ni 0.03145632 7.28893820 3.62349978 -0.60693120 -0.36167845 0.27059239 Ni 1.81712855 9.12069718 3.67680582 0.62943717 0.58575502 -0.39710312 Ni 1.85585287 7.29717370 5.45656413 0.34528833 -0.93527456 0.34000968 Ni 0.01591457 9.12475401 5.49449013 -0.52945244 0.27485033 -0.27792580 Ni 3.61338566 7.31877224 3.66588115 0.45552287 -0.94634279 -0.54611229 Ni 5.43932418 9.14326974 3.64216919 0.11459120 0.22348497 -0.00120500 Ni 5.49291326 7.32189196 5.41693007 -0.15158683 -0.86253479 0.53003634 Ni 3.63981610 9.14701479 5.46531261 0.25884433 0.25472779 0.34933907 Ni 7.31857928 7.30737274 3.62158385 -1.02703009 -0.63104096 0.23416166 Ni 9.13736461 9.09832683 3.62553679 0.43400611 0.43535029 0.15086860 Ni 9.08737099 7.33358613 5.50802309 0.57950197 -0.97781975 -0.37386904 Ni 7.30273986 9.15429054 5.47020066 -0.69793624 0.41397574 -0.31410667 Ni 0.02856859 0.01844864 7.29375239 -0.78482589 -0.66856521 -0.42242342 Ni 1.82278215 1.79621248 7.32675626 0.96361043 1.61620651 -1.12096502 Ni 1.84474701 0.00972042 9.09184918 0.34365546 -0.72335023 0.83745327 Ni 0.01639682 1.80758925 9.11254190 -0.57701813 0.63114096 0.53506891 Ni 3.61819773 0.01031980 7.29856288 0.25911010 -0.65357405 -0.74306091 Ni 5.45924006 1.79343415 7.28698088 0.22975444 1.28409252 -0.63844334 Ni 5.46612069 0.00333460 9.09487104 0.03537203 -0.55682207 0.49575794 Ni 3.67864689 1.79633644 9.12538521 -0.21430680 1.10416005 0.52743952 Ni 7.30220971 0.00937740 7.32035942 -0.48448977 -0.62787869 -0.70304779 Ni 9.13223224 1.84330575 7.28467842 0.52003405 0.62871725 -0.53387484 Ni 9.14755357 0.02050095 9.10688166 0.27317290 -0.23253214 0.22704980 Ni 7.31142897 1.82132249 9.14334827 -0.58361594 0.73988259 0.34968932 Ni 0.03248855 3.67666078 7.28500763 -0.76414677 -0.63622630 -0.73645148 Ni 1.80682660 5.46718438 7.29525350 1.32005877 0.27008042 -1.12020981 Ni 1.79044733 3.68320666 9.10969353 1.10175045 -0.58838288 0.58514620 Ni 0.02458662 5.43909286 9.08732899 -0.88234886 0.25427221 0.61653266 Ni 3.67560013 3.66189379 7.31020284 -0.40928239 -0.23545907 -0.94328722 Ni 5.48408001 5.44329151 7.30290427 -0.10063389 0.43331528 -1.09514652 Ni 5.49086096 3.64992726 9.14620137 -0.09854084 -0.21036018 0.21431843 Ni 3.63821465 5.43860992 9.11456500 0.19838594 0.22814387 0.46704916 Ni 7.29361156 3.67431061 7.26462974 -0.83747440 -0.51108694 -0.62520009 Ni 9.08818808 5.46175966 7.30270379 0.60688407 0.34255560 -0.65082485 Ni 9.13324982 3.67344417 9.09558423 0.36579158 -0.18793566 0.45454852 Ni 7.29490688 5.44085274 9.11958662 -0.44788691 0.23735806 0.61466300 Ni 0.00503513 7.31890288 7.30794119 -0.60433036 -0.74651839 -0.63010620 Ni 1.80184752 9.12556788 7.27999079 1.02828233 0.40925527 -0.24257453 Ni 1.79011978 7.26003235 9.14998458 0.95929602 -0.14658261 0.44413304 Ni 0.03603604 9.15246544 9.12715479 -0.24760842 0.23088461 0.26634190 Ni 3.66164818 7.28074869 7.32473146 0.03688179 -0.52396911 -1.02981203 Ni 5.51068711 9.13143321 7.30382906 -0.41298503 0.44635955 -0.78476518 Ni 5.50332281 7.28658811 9.10887050 -0.43823168 -0.66300215 0.71238744 Ni 3.68100856 9.14918294 9.11582022 -0.21442344 0.09948813 0.22827505 Ni 7.26732386 7.31310633 7.33168340 -0.31067845 -0.90729395 -1.09326878 Ni 9.14314616 9.13679369 7.23830328 0.27128896 0.45548084 0.14183493 Ni 9.15170348 7.30204580 9.13309646 0.23531937 -0.41220181 0.18378216 Ni 7.29816455 9.11790339 9.14448675 -0.14907355 0.50557097 0.38617299