108 Lattice="10.45401949495281 0.0 0.0 0.0 10.45401949495281 0.0 0.0 0.0 10.45401949495281" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.9210159530821 stress="-0.011504633439707989 0.001602966377533537 0.001814588094687063 0.001602966377533537 -0.011033651254295972 0.0017749195767327191 0.001814588094687063 0.0017749195767327191 -0.01062916429994413" free_energy=-417.9210159530821 pbc="F F F" Ni 0.00984325 0.01133566 0.02028224 0.23276735 0.23828795 0.13150266 Ni 1.77072926 1.73246965 0.01575405 -0.11471471 0.36713474 -0.57362968 Ni 1.72430507 0.00905269 1.72445567 0.42612899 -0.32306448 0.58235230 Ni 0.02428807 1.74438643 1.71629399 -0.43008143 0.15589175 0.59982089 Ni 3.45423795 0.02868801 0.00849418 0.23963812 -0.23344523 -0.11046548 Ni 5.22300349 1.75885527 0.01390619 0.04681084 0.13025449 -0.55220024 Ni 5.20006603 0.00435486 1.76278314 0.10338233 -0.37780923 -0.12616337 Ni 3.50598609 1.75390143 1.71044371 -0.35889347 0.14277188 0.62494032 Ni 6.96811809 0.01219768 0.01123046 -0.22799844 0.13897422 0.11314714 Ni 8.73948885 1.77246278 0.02040534 -0.22360915 0.12217618 0.01296694 Ni 8.72605320 0.03223373 1.73745576 -0.18232991 0.13462069 0.39535200 Ni 6.93592869 1.74337146 1.73256215 0.26910403 0.25042786 0.16022133 Ni 0.03126202 3.48977128 0.02825621 -0.37288575 -0.14888777 -0.27851410 Ni 1.70769690 5.19578581 0.01393210 0.48208195 0.54813478 -0.56965040 Ni 1.71951903 3.50009991 1.70771626 0.46742015 -0.22834207 0.86254006 Ni 0.00884331 5.25376501 1.75470582 -0.48444767 -0.14379691 0.29276900 Ni 3.46335812 3.50932641 0.01876584 0.18057343 -0.11258766 -0.61208842 Ni 5.22505796 5.23733535 0.03036311 0.15446524 -0.05537080 -0.48086903 Ni 5.20905944 3.49541015 1.74003649 0.21323691 0.16738791 0.26349199 Ni 3.45477453 5.24584944 1.73125525 0.22359822 -0.30524069 0.48626598 Ni 6.98544583 3.49941916 0.00465166 -0.28791769 0.02948942 -0.28049612 Ni 8.71670358 5.25904529 0.00334323 0.07896331 -0.08070465 0.02430361 Ni 8.72142504 3.50299399 1.72188390 0.37307923 -0.09580455 0.30291432 Ni 7.00119145 5.24933193 1.77471870 -0.36124936 -0.00418415 -0.25671443 Ni 0.01324285 6.94618641 0.00092172 0.06668814 0.01377230 0.08404117 Ni 1.74319349 8.72979771 0.03017114 0.36560197 -0.07888448 -0.05719069 Ni 1.76869360 6.99166616 1.72832728 -0.34266158 -0.24044766 0.05633870 Ni 0.01895179 8.73653640 1.73475290 -0.04561758 -0.18228761 0.23936280 Ni 3.49063354 6.97013791 0.03073287 -0.22347193 -0.11555395 -0.68449096 Ni 5.24790080 8.68436381 0.02502249 0.02204284 0.10518583 -0.14709392 Ni 5.21104379 6.97153705 1.73603723 0.43077598 -0.22231010 0.29423860 Ni 3.51236414 8.71168656 1.77339822 -0.30283681 0.58595986 -0.20845097 Ni 6.99177259 6.94228594 0.00603070 -0.34578493 0.07547177 -0.25081933 Ni 8.71105463 8.68746804 0.02622539 -0.25535204 -0.15835729 0.11993980 Ni 8.73379331 7.00215987 1.74152517 0.27087682 -0.37071005 0.45917552 Ni 6.97729539 8.72245664 1.74385451 -0.21695065 0.19382055 0.22975245 Ni 0.01807245 0.00118414 3.49852153 -0.03520818 0.16383279 -0.25416461 Ni 1.77510081 1.76795638 3.50759254 -0.17699128 -0.16484503 -0.58560620 Ni 1.72227729 0.01709914 5.19908049 0.57791834 -0.39308732 0.31053425 Ni 0.01865627 1.75546035 5.22003180 -0.42351353 0.13516288 0.18083473 Ni 3.49039088 0.03224106 3.49748531 -0.27398742 -0.60953435 -0.32848094 Ni 5.21285499 1.76032997 3.50428413 0.18449318 0.20326734 -0.57069362 Ni 5.21322790 0.02357106 5.20722405 0.36343229 -0.66521907 0.14727832 Ni 3.51554503 1.72888202 5.21689203 -0.48899531 0.16788278 0.34857323 Ni 6.93075879 0.02007343 3.45745693 0.23703827 -0.37029108 0.12362159 Ni 8.68781316 1.78525380 3.50172046 0.46588014 -0.27046170 -0.30733683 Ni 8.65521990 0.01156400 5.25329873 0.12136459 0.12497279 -0.29714862 Ni 6.93726112 1.79631743 5.18337283 0.22357872 -0.41613870 0.42853041 Ni 0.03368743 3.46049035 3.51572123 -0.47979437 0.13824323 -0.43732953 Ni 1.72806895 5.24477477 3.48808924 0.39082589 -0.28765237 -0.10351939 Ni 1.77223254 3.46449306 5.25534749 -0.10055941 0.24654678 -0.20570585 Ni 0.02091342 5.21461262 5.19576929 -0.48640398 0.21866292 0.29740044 Ni 3.48120857 3.46516979 3.51919942 -0.02659840 0.57737013 -0.59040232 Ni 5.24448763 5.25366424 3.47894339 -0.38775076 -0.23251536 0.10753725 Ni 5.21022330 3.46309861 5.24212033 0.27454183 0.62994955 -0.19799810 Ni 3.45686957 5.22526150 5.25317930 0.57046802 0.29330685 -0.20711297 Ni 7.00101709 3.50797350 3.45467739 -0.72756589 -0.15495371 0.03847786 Ni 8.70177933 5.22203421 3.50389260 0.67712244 0.25867463 -0.29586661 Ni 8.68410786 3.49818093 5.21244068 0.67289874 -0.12070875 0.25009560 Ni 6.97672408 5.21743221 5.20408214 -0.36724315 0.20310930 0.38236856 Ni 0.02461970 6.99299336 3.47481854 -0.51674119 -0.35192028 -0.09634818 Ni 1.73339605 8.69154733 3.47420325 0.36185833 0.59207334 0.13342598 Ni 1.73637893 6.94294237 5.25617665 0.30439957 0.17903467 -0.11552729 Ni 0.03387853 8.66718990 5.20716530 -0.21092196 0.18442501 0.28721593 Ni 3.44950770 6.98388264 3.46095508 0.34365567 -0.49130996 0.48071442 Ni 5.20279558 8.68270543 3.46399534 0.47750357 0.58626866 0.23495039 Ni 5.24855105 6.98642969 5.21744760 -0.39090734 -0.49639166 0.21046495 Ni 3.50866480 8.69381576 5.21863811 -0.33097355 0.42235763 0.21452089 Ni 6.98831927 6.99507797 3.50611716 -0.16568905 -0.18889486 -0.27415124 Ni 8.69041052 8.72965755 3.51059031 0.10693923 0.02369536 -0.12588828 Ni 8.74146114 6.95780790 5.22090538 0.19788950 -0.16376265 0.20739825 Ni 6.98232001 8.71481554 5.25537885 -0.35972313 0.44874243 -0.25032303 Ni 0.05260957 0.04341475 6.94403609 -0.19467069 -0.20711055 -0.16153327 Ni 1.77121125 1.75624112 6.99930378 -0.00816538 -0.11218300 -0.66505699 Ni 1.74406984 0.02647884 8.71417337 0.30140669 -0.12947346 -0.05207240 Ni 0.02779676 1.76333196 8.66418381 -0.13176768 0.34668263 0.15968514 Ni 3.51144551 0.00063393 6.95377669 -0.35958269 -0.43508348 -0.06476004 Ni 5.22286652 1.72731581 6.95574254 0.15661287 0.34787526 0.23194472 Ni 5.26084770 0.00113387 8.68319941 -0.04157255 0.08745819 0.08997974 Ni 3.46097546 1.73669298 8.70522052 0.56310585 0.12841329 0.44970364 Ni 6.97404230 0.02855483 6.94071340 -0.15562019 -0.30597551 0.13928233 Ni 8.69490165 1.77407662 6.98238029 0.47219914 -0.05297672 -0.34481732 Ni 8.73284508 0.02454734 8.74435076 -0.53265677 0.43198055 -0.54525422 Ni 6.98412117 1.77501421 8.70070597 -0.21264159 -0.26745825 0.45772760 Ni 0.01162711 3.51484723 6.93822798 -0.39118671 -0.24903201 0.05080403 Ni 1.75009895 5.21408398 6.99504654 0.19006096 0.17266465 -0.32828484 Ni 1.79123504 3.48029616 8.68526134 -0.16494963 0.18569619 0.62719039 Ni 0.02328042 5.23303406 8.69604834 -0.12538733 -0.24506234 0.23692046 Ni 3.48581960 3.47055406 6.94778170 0.37175570 0.19165930 0.36983916 Ni 5.26508079 5.19405509 6.99712680 -0.38978664 0.44650792 -0.45875736 Ni 5.26674093 3.47452845 8.74055965 -0.40584770 0.00875341 0.20246093 Ni 3.50328214 5.26066309 8.71155318 0.03577301 -0.38193815 0.36219643 Ni 6.98261277 3.46543371 6.97287981 -0.38642586 0.20471279 -0.17658079 Ni 8.67846922 5.19597584 6.97626718 0.50651701 0.43664864 -0.31951450 Ni 8.69644934 3.50877467 8.72218450 0.12116732 -0.11354375 0.11885004 Ni 6.98609755 5.25009974 8.70441330 -0.35885444 -0.11396123 0.47761099 Ni 0.01595854 6.94676194 7.00209255 -0.45241714 0.03235998 -0.40987203 Ni 1.72324780 8.70734897 6.98167096 0.37239863 0.31764907 -0.18946262 Ni 1.73827873 6.94350761 8.72083880 0.32068046 0.18996932 0.41714164 Ni 0.03245844 8.71788824 8.73873414 0.29269817 -0.38939682 -0.31512766 Ni 3.47708970 7.00129276 6.99914958 0.22365015 -0.40507874 -0.33835306 Ni 5.24504171 8.68277632 6.99780589 -0.18713840 0.63159345 -0.25366131 Ni 5.23153463 6.96658989 8.73374632 0.09456929 -0.07236897 0.32405483 Ni 3.49029866 8.73474473 8.73455341 -0.15352144 -0.17289761 -0.10285235 Ni 6.94666306 6.99983421 6.96011027 0.17099507 -0.67953243 -0.02333830 Ni 8.68295016 8.66717994 6.97249443 0.28197571 0.19067353 -0.24528146 Ni 8.68535801 6.96282030 8.71078277 0.11851577 -0.30228380 -0.03065505 Ni 6.99262933 8.71602131 8.71873848 -0.41456212 -0.05780646 0.02290361