64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=65.54739651672394 stress="-0.000796388423920649 -2.217715313569678e-05 -0.0003332800857618004 -2.217715313569678e-05 -0.0008398113699467147 0.00010077241609574329 -0.0003332800857618004 0.00010077241609574329 -0.0008141430472847992" free_energy=65.54739651672394 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -3.47830237 -2.23176685 -2.93952981 Ni 36.59933616 35.93572417 35.98055861 -6.03686437 -19.83142238 16.83399319 Ni 37.14715992 37.22516294 35.23402360 -1.39205494 8.06766676 -26.36703253 Ni 37.93229823 38.31172061 36.19084223 5.48146238 19.40703401 7.57153200 Ni 37.29465675 35.14771729 38.20399864 -9.19248910 -2.66306767 -3.56493369 Ni 38.85840215 35.76443239 39.02546443 8.35327584 7.01991364 -0.29989516 Ni 34.95577374 37.79563377 37.93187189 -0.26578126 -1.32754438 -1.24850721 Ni 36.55604684 39.07636534 38.99475015 -19.99371887 50.57960695 -28.82834485 Ni 40.78248547 35.50979054 35.01871475 -1.72040538 -1.04061630 -4.02157311 Ni 41.20935311 36.04524550 37.00114475 -5.63978757 5.17878058 1.88490611 Ni 42.56413860 37.40080582 34.86420263 -6.31487993 -5.71612081 -4.60979469 Ni 43.67982227 38.56376137 35.86736005 5.89691154 5.42309236 5.41016770 Ni 42.81964364 35.29825864 37.75344230 4.31943684 -6.14671758 0.62132279 Ni 43.94092265 36.58905321 38.94859689 19.05561372 -2.94459708 -14.72849097 Ni 39.13852573 37.20608632 37.20242380 4.35693873 -3.06361895 4.14144749 Ni 40.75858622 38.88988228 38.51999491 0.79111830 -1.59204484 -0.90215095 Ni 35.10340100 40.31298788 35.02164361 -2.71124556 -2.27265869 -1.79621309 Ni 36.63900191 41.14262195 36.24085714 -8.98053441 -16.59585311 26.81457977 Ni 37.21949456 41.99713164 35.09651729 12.04797432 16.83293499 -24.74694815 Ni 38.61643991 43.32327578 36.40123177 -34.53655183 21.92570555 -22.40663375 Ni 37.95366604 39.88968876 37.71888199 -10.95392359 -8.06984331 -8.62206191 Ni 39.18297782 40.79320854 38.39174556 15.97122080 10.61058777 8.94705343 Ni 35.34278350 42.83814538 37.63905551 -2.10544651 -9.72266328 -16.11465191 Ni 35.60366252 43.66349090 39.11824152 3.53993529 8.39071551 16.93736169 Ni 40.26176311 40.27927672 34.77599447 -1.65823969 -0.74166282 0.04689756 Ni 41.60365422 41.12475624 36.46651109 -11.22349077 13.40967292 -8.83697209 Ni 41.67119966 43.29253646 34.78221554 -1.99387870 -0.71247979 -0.27353666 Ni 43.57559210 43.55058575 36.17451505 0.62073582 -0.62460617 1.68091622 Ni 42.58087455 40.09122498 37.35935114 10.18804943 -12.70990545 10.69346873 Ni 43.97462727 41.11272182 38.87984742 0.77578058 0.14465176 1.33469961 Ni 39.66448343 42.68403127 37.11226018 34.42379107 -21.73614358 22.00051674 Ni 40.97555741 43.31914392 38.89352680 -16.74614596 5.84044708 -8.69753870 Ni 34.77045360 35.28866239 39.68786656 -0.62236994 -0.08443365 -2.14519702 Ni 36.11803101 36.09305905 41.30199494 -12.63594795 10.56330379 -7.40850066 Ni 37.00297454 37.99791377 39.62151619 20.60295356 -54.24449263 26.47167696 Ni 38.07353166 38.51894432 41.34725891 -4.66264441 -4.80821686 5.47297810 Ni 37.43970136 35.30962604 42.02044147 9.49630091 -7.72038627 9.77399041 Ni 39.08450338 35.75571598 43.58475277 -8.08327852 -22.32768646 15.72261145 Ni 34.99655912 37.96978731 42.51668654 -6.93060205 -5.13187811 -6.94820803 Ni 36.22422232 38.91950201 43.54655608 -6.72069564 -7.58979507 14.14495285 Ni 39.08532250 35.00206044 40.83625574 5.39350354 -2.95832729 3.35086409 Ni 41.48837336 36.00831489 41.43404765 -20.83841932 29.32049630 -14.22714384 Ni 42.84911873 37.01595790 40.07449325 -19.60171551 1.38739607 10.11781568 Ni 43.60556472 38.49425818 41.03735392 2.59791113 7.75172869 4.70115516 Ni 42.20384740 34.85081933 42.03810700 17.93280260 -29.73797028 15.17361039 Ni 43.75567948 35.58042468 44.03850275 -0.27046653 0.42090388 -0.28089733 Ni 39.60939942 37.00409575 42.77385137 8.90203428 23.35652267 -15.75243406 Ni 40.88981588 38.99050463 43.64455433 0.48679642 -0.26596163 -1.19352606 Ni 35.03346674 39.71662307 40.34902654 -4.96080114 -2.66529490 0.37078162 Ni 36.12753280 41.21395641 41.27609686 3.03408426 3.00796265 1.12215319 Ni 37.82350393 42.21827495 39.80335328 -8.31080886 -11.83069722 -12.08043356 Ni 38.63834321 43.28337470 40.87827378 8.26435987 10.99925696 11.03306022 Ni 37.36102597 39.94186987 42.87644269 15.28544353 14.85497537 -6.81239480 Ni 39.67171808 41.11056424 43.96640764 -1.51000403 -0.60528760 1.66553834 Ni 34.85019353 42.97085593 42.41342367 -5.52012845 -1.32646960 -4.32995157 Ni 36.40009545 43.42893138 43.60183795 6.13113190 0.84851659 3.46391453 Ni 39.60146438 39.30457994 40.50975364 5.73881575 3.04283715 -2.58220146 Ni 40.89974943 41.22892384 41.12165250 10.71906843 -26.52240004 -36.36009668 Ni 42.34497277 42.80178516 39.71375535 16.44247007 -6.57340550 10.36389498 Ni 43.84947997 43.91585207 41.75724536 -0.83131845 -0.88261792 0.12213145 Ni 42.43376557 40.85345170 42.38498733 3.03890357 -3.31353647 -0.07879860 Ni 43.66153064 41.54291660 43.96495890 1.91504701 1.65804327 2.84715736 Ni 40.39757659 42.11536967 42.13716159 -15.60304225 28.69517729 28.62779495 Ni 40.86157597 44.04079721 43.69789396 0.24211238 -0.40574002 -0.26035182