500 Lattice="17.33650799022422 0.0 0.0 0.0 17.33650799022422 0.0 0.0 0.0 17.33650799022422" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1975.1126192260822 stress="-0.00814150387445896 -0.0005030854147614445 6.7096057944385e-05 -0.0005030854147614445 -0.008387461598172637 -0.00022978295770807608 6.7096057944385e-05 -0.00022978295770807608 -0.00806037064972604" free_energy=-1975.1126192260822 pbc="F F F" Ni 0.02579689 0.02373668 0.02963309 0.45281437 0.52840461 0.45834384 Ni 1.73480309 1.73283994 0.03831383 0.05202294 0.42864065 -0.27406553 Ni 1.71990733 0.03858935 1.70295124 0.37527353 -0.40138096 0.44816808 Ni 0.02522623 1.71217058 1.76196954 -0.28654070 0.52966115 -0.24067011 Ni 3.45561843 0.01777303 0.03288479 -0.05556576 0.16364558 0.12087211 Ni 5.21125369 1.70082629 0.02007338 -0.17292105 0.24448442 -0.53197015 Ni 5.19010758 0.02306366 1.73404900 0.21340001 -0.52128140 0.12257089 Ni 3.49431041 1.73604756 1.71865856 -0.63133437 0.00366025 0.32581860 Ni 6.90695767 0.02027528 0.00159083 0.18119948 0.22085168 0.32453082 Ni 8.69756753 1.70450977 0.01453547 -0.33613478 0.30324052 -0.33118686 Ni 8.65467140 0.01705584 1.71373764 -0.07990068 -0.31686539 0.22352887 Ni 6.92390029 1.76708091 1.72409516 0.22366185 -0.41699945 0.28815751 Ni 10.39334019 0.04045440 0.01749738 0.12940015 -0.00707868 0.20611999 Ni 12.12048608 1.70369252 0.00150894 0.22146002 0.41187445 0.02632285 Ni 12.16215193 0.00305081 1.71827523 -0.20180040 -0.14870072 0.21348164 Ni 10.38220672 1.70058959 1.76446272 0.49498942 0.44952289 -0.08614015 Ni 13.89010640 0.01439448 0.02748324 -0.19929429 0.25152946 0.33257658 Ni 15.57420506 1.69932928 0.02202534 -0.33629786 0.42274362 0.39379329 Ni 15.63017431 0.01214998 1.76116168 -0.51257187 0.38756143 0.19602483 Ni 13.87060237 1.71623033 1.74096409 -0.17853402 0.34566813 0.06697087 Ni 0.01068215 3.50083929 0.00644087 0.43711502 -0.23451278 0.55179753 Ni 1.74456470 5.20129330 0.02325779 0.13209965 -0.13651056 -0.31605068 Ni 1.75978894 3.47258834 1.76897394 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0.17421518 -0.46854527 -0.29106066 Ni 15.63193616 5.21161440 0.02317580 -0.43992531 0.00364471 0.33995448 Ni 15.58402765 3.47530415 1.73989650 0.15144220 -0.21341382 -0.00169128 Ni 13.85956517 5.20136051 1.71799422 0.42252417 0.30781240 0.21896923 Ni 0.03086208 6.89615537 0.03321613 0.25958013 0.24045733 0.15333144 Ni 1.76612848 8.66607336 0.01661475 -0.27757617 0.14579630 -0.48620745 Ni 1.76825047 6.96704443 1.73253212 -0.19327577 -0.57642932 0.25302825 Ni 0.01676867 8.67078022 1.72224692 -0.33600112 0.02282539 -0.07933613 Ni 3.44508842 6.94918737 0.02307860 0.31586810 -0.17790130 -0.53625226 Ni 5.21565617 8.66535203 0.01947551 -0.13520625 -0.03776872 -0.24298167 Ni 5.17336209 6.93302473 1.74703408 0.05453627 -0.07244029 -0.14486543 Ni 3.43919052 8.65767688 1.76248934 0.52905641 0.39437177 -0.33507334 Ni 6.92976444 6.92957407 0.02184408 0.15041516 0.08724615 -0.31087981 Ni 8.67717276 8.70473430 0.01020685 -0.17749236 -0.20918601 -0.24337737 Ni 8.70280863 6.93661948 1.74431658 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0.00397897 -0.15264466 -0.10024192 -0.21671453 Ni 5.21268455 12.15325305 0.02823009 -0.17728307 -0.14621510 -0.50223302 Ni 5.20968081 10.38867163 1.72572543 -0.16837292 0.15945343 0.23133299 Ni 3.45978174 12.13638673 1.73894031 -0.16250579 -0.04162993 0.15142904 Ni 6.91258521 10.43110930 0.00137804 0.22731938 -0.21433416 -0.14475537 Ni 8.67733667 12.13481482 0.01958891 -0.13825712 0.17992719 -0.40058180 Ni 8.65112981 10.38503589 1.76753263 0.16428272 0.12150780 -0.55622146 Ni 6.95702089 12.15133518 1.74639338 -0.11807533 -0.18570978 0.00412704 Ni 10.39689182 10.43173506 0.01934591 -0.06676622 -0.31827478 -0.45951348 Ni 12.12209784 12.10793559 0.01482893 0.48677887 0.31640710 -0.34942549 Ni 12.12995950 10.38095316 1.70370929 0.36018230 0.09292542 0.43789038 Ni 10.38693989 12.14892717 1.70776124 0.04153139 -0.21782639 0.27203847 Ni 13.90524241 10.39430500 0.03093353 -0.47589171 0.16129538 -0.55293698 Ni 15.57266854 12.13495261 0.01951428 -0.08217342 0.16584832 0.31439711 Ni 15.59060413 10.36899355 1.70065426 0.51188308 0.32825346 0.65438955 Ni 13.90201775 12.12744757 1.75927726 -0.33204473 0.31669683 -0.07156985 Ni 0.01496175 13.85184076 0.01304686 0.30918473 -0.12638058 0.27975655 Ni 1.71643500 15.60753932 0.00897886 0.36396098 -0.43611267 0.40695005 Ni 1.72541022 13.90752584 1.71651586 0.21701356 -0.37524991 0.13856321 Ni 0.00523024 15.56945309 1.71970660 0.31727384 -0.30288248 0.30518970 Ni 3.46686832 13.84608244 0.01706155 -0.12925343 0.27693735 -0.10904573 Ni 5.19703445 15.63668426 0.00109861 -0.13214008 -0.50510695 0.36955133 Ni 5.22947326 13.85555558 1.70913355 -0.54927901 0.16190882 0.42558043 Ni 3.49034215 15.61811013 1.75736533 -0.15636000 -0.05941391 -0.18831382 Ni 6.90187708 13.84959715 0.03373196 0.45052111 0.25560776 -0.52476517 Ni 8.69822903 15.58465403 0.01380294 -0.13749677 -0.32560283 0.32852644 Ni 8.68756592 13.87595622 1.74159824 -0.16616561 0.19018861 -0.09956000 Ni 6.91927475 15.59996501 1.70168020 0.22952840 0.25442241 0.10682729 Ni 10.43169952 13.89302329 0.02540184 -0.20733993 -0.19018354 -0.50440918 Ni 12.13971425 15.59020635 0.00021277 0.33369643 -0.34039607 0.41033517 Ni 12.10577209 13.84811841 1.72035002 0.71502504 0.19371037 0.13211181 Ni 10.43406068 15.60348472 1.73730489 -0.17172926 0.23959481 0.21804245 Ni 13.90187074 13.84542279 0.01237388 -0.30616589 0.09306251 0.11670205 Ni 15.59558037 15.62479228 0.03276654 -0.70957974 -0.77097528 0.72087196 Ni 15.59575415 13.89022001 1.78021287 0.19051475 -0.28234984 -0.16896159 Ni 13.88970754 15.54483775 1.76664985 -0.38665157 0.30929523 -0.20675550 Ni 0.01908607 0.04087080 3.44663559 0.14670902 -0.06862885 0.05984042 Ni 1.71515765 1.70519319 3.48893411 0.55509468 0.47703646 -0.42220699 Ni 1.71521212 0.01567304 5.22767911 0.21434417 -0.43105570 -0.12388218 Ni 0.03230068 1.73456286 5.18311534 -0.55360226 0.11624581 0.06021304 Ni 3.48181277 0.00530922 3.47377682 -0.37730484 -0.38959022 -0.12802488 Ni 5.17688045 1.70284567 3.45732739 0.32825019 0.41009863 0.36756491 Ni 5.21401065 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3.45468959 5.22033168 -0.31387227 0.28695649 -0.14775408 Ni 10.41573985 5.22379307 5.22386743 0.04942964 -0.29115226 -0.36867063 Ni 13.85188265 3.48000596 3.46371670 -0.02744759 -0.23964715 -0.09641646 Ni 15.58796914 5.17992268 3.49152661 0.43468212 0.20508947 -0.45271959 Ni 15.60421062 3.48537185 5.17891173 0.37229925 -0.41686925 0.18252148 Ni 13.87891171 5.17598911 5.24088845 -0.30540946 0.36136674 -0.19877484 Ni 0.01728613 6.97105438 3.44757634 -0.29370064 -0.30767562 0.17812014 Ni 1.74898208 8.64019041 3.43711220 -0.16969318 0.42948508 0.44743054 Ni 1.73701967 6.94633565 5.21929423 0.04788541 -0.14232315 -0.25438519 Ni 0.02847462 8.69305399 5.18783691 -0.38074008 -0.27510879 0.12410175 Ni 3.49146690 6.96709951 3.49413829 -0.45184030 -0.76087753 -0.32239619 Ni 5.20850496 8.66652625 3.45510416 -0.15876118 0.26630773 -0.02681799 Ni 5.16955078 6.94661169 5.18746162 0.31337622 -0.10126127 0.39485875 Ni 3.48220459 8.65441373 5.19340612 -0.34514319 0.22354148 0.42050495 Ni 6.90787998 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