108 Lattice="10.396156049360318 0.0 0.0 0.0 10.396156049360318 0.0 0.0 0.0 10.396156049360318" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.16748151456494 stress="-0.007586408544649375 -2.9587592306175626e-05 -0.0014305234743955738 -2.9587592306175626e-05 -0.007755415170698553 -0.000994292487430259 -0.0014305234743955738 -0.000994292487430259 -0.00697812313594324" free_energy=-399.16748151456494 pbc="F F F" Ni 0.02033919 0.02250232 0.02361049 0.58731711 0.64045510 0.60530721 Ni 1.70709489 1.76221255 0.00493517 0.10793396 -0.21843745 -0.45781003 Ni 1.71662932 0.01481802 1.72661804 0.16136810 -0.70151151 -0.22320292 Ni 0.02628304 1.72048859 1.76322352 -0.72547470 0.15446912 -0.40775624 Ni 3.48360980 0.02222518 0.00120766 -0.22568230 0.33680831 0.22748406 Ni 5.22651217 1.74171784 0.02562691 -0.31060390 -0.11595607 -0.64392323 Ni 5.18233620 0.00373029 1.71489993 -0.05585170 -0.48852715 0.19048036 Ni 3.43244732 1.73478773 1.75300474 0.22222829 0.17086512 -0.41191159 Ni 6.90672921 0.00452369 0.02971486 0.20695852 0.39011393 0.29536665 Ni 8.65486543 1.76665982 0.01027350 -0.53258378 -0.17278379 0.35999819 Ni 8.65482810 0.01749010 1.70215236 -0.44026810 0.52172132 0.11405809 Ni 6.90634579 1.73760963 1.75840904 0.43694537 -0.23732800 -0.26361169 Ni 0.00496327 3.47742857 0.01339496 0.15344543 -0.09140310 0.20523164 Ni 1.75066622 5.20703114 0.00601875 -0.17338492 0.21134740 -0.66738166 Ni 1.72079898 3.49624115 1.73563330 0.25566118 -0.39087771 0.07150155 Ni 0.03260238 5.19429927 1.72721543 -0.82750051 0.26057690 -0.25358041 Ni 3.45930862 3.48796025 0.00635974 0.08109228 -0.32997236 -0.43695382 Ni 5.22014536 5.18469902 0.01437885 -0.35637072 0.21366227 -0.69915986 Ni 5.22773016 3.44575319 1.73311745 -0.56920800 0.26258453 0.30946860 Ni 3.44909230 5.17707759 1.74901599 0.44619993 0.09888914 0.06659817 Ni 6.90139024 3.47941157 0.02788743 0.54670029 -0.20802122 -0.80668074 Ni 8.69266481 5.17732467 0.01958117 -0.42174449 0.09062897 0.31699114 Ni 8.64111455 3.43411633 1.73863287 0.63025660 0.20783358 -0.18794511 Ni 6.89701644 5.19128853 1.70860053 0.64897490 0.11173203 0.28409618 Ni 0.01236337 6.95913411 0.01929628 0.36006454 -0.14065159 0.42198385 Ni 1.71265009 8.63821097 0.00658177 0.12051935 -0.31253507 0.29482657 Ni 1.76669939 6.89996965 1.74645702 -0.35205260 0.56511025 -0.25884059 Ni 0.02702557 8.69699075 1.70010907 0.45198885 -0.60942582 0.22029161 Ni 3.49891410 6.96212970 0.01951087 -0.11509827 -0.18179431 -0.61597857 Ni 5.21168601 8.69547927 0.00096010 0.06961501 -0.37081041 0.39430250 Ni 5.20565608 6.89767245 1.73355249 -0.39192621 0.40521247 0.00517359 Ni 3.44477962 8.64315927 1.72006571 0.06008960 0.53651955 0.17725609 Ni 6.93314750 6.94018128 0.02682990 0.16113858 0.05754944 -0.63389736 Ni 8.66140139 8.63104738 0.00385936 -0.70064566 -0.58746804 0.68771593 Ni 8.68406175 6.94353271 1.71130062 0.32888616 -0.10929301 0.13356340 Ni 6.91858815 8.64626488 1.74685289 0.18610027 0.61672629 -0.19389663 Ni 0.01317009 0.02484540 3.44895594 0.12717983 0.10218889 0.17190805 Ni 1.74591519 1.72663262 3.43899842 -0.28060261 0.34069016 0.24136006 Ni 1.74432502 0.03331442 5.18538266 -0.33866889 -0.66629153 0.31233144 Ni 0.00479783 1.75716862 5.22178237 -0.38369218 -0.12963027 -0.08901330 Ni 3.44581858 0.03317538 3.49812529 0.22197747 -0.83628194 -0.46266357 Ni 5.18213882 1.76579510 3.44245271 0.29210429 -0.18141336 0.34178150 Ni 5.18618692 0.01674229 5.20522608 0.17628271 -0.44600036 -0.02506032 Ni 3.45035124 1.72901512 5.17494506 0.22761253 0.20244452 0.41507168 Ni 6.91645111 0.02782366 3.44781893 0.14463489 -0.48964992 0.12889362 Ni 8.65004951 1.75522160 3.48068914 0.53930785 -0.32733961 -0.06925586 Ni 8.66349150 0.01793838 5.19026778 -0.32253314 0.15673090 -0.00831402 Ni 6.93385744 1.75591412 5.23128777 -0.27012585 -0.12745310 -0.42130301 Ni 0.00802955 3.48212883 3.44490206 -0.50487946 -0.19956424 0.15811692 Ni 1.72524584 5.23195593 3.44142631 0.28577851 -0.54313060 0.38903877 Ni 1.76698061 3.45142719 5.16473331 -0.38531214 0.23927585 0.23860793 Ni 0.00738507 5.17529416 5.19686405 -0.29550043 -0.02318882 0.14341108 Ni 3.48142776 3.45171302 3.47883133 -0.13283723 0.33930699 -0.31586315 Ni 5.21203951 5.20932973 3.47033473 -0.22822056 -0.44697628 0.00242150 Ni 5.17450112 3.44389857 5.22979047 0.31431839 0.25118729 -0.25870923 Ni 3.45260914 5.19468361 5.18218487 0.28171514 0.16854194 0.31686648 Ni 6.95505688 3.48276468 3.45507541 -0.64657305 -0.16319679 0.34948843 Ni 8.63604474 5.17293880 3.48444709 0.66606581 0.37358027 -0.49009881 Ni 8.66242360 3.49119330 5.20823112 0.49579548 -0.15112145 0.13278250 Ni 6.92248402 5.24122176 5.18355981 -0.22346726 -0.36789771 0.30536614 Ni 0.02140233 6.90411162 3.46668130 -0.73993887 0.46156359 -0.10524362 Ni 1.69942501 8.64742531 3.48935113 0.15872835 0.50291269 -0.26201674 Ni 1.74843154 6.92327882 5.18384515 -0.11889422 0.02117553 0.28335552 Ni 0.01140166 8.68567295 5.21679543 0.18265493 -0.40612068 0.01353969 Ni 3.45848401 6.89938149 3.49662056 0.18548009 0.29890530 -0.39627209 Ni 5.17110632 8.66562551 3.47316897 0.23112434 0.49475269 -0.30629533 Ni 5.23074909 6.95655646 5.16413250 -0.33272450 -0.47478442 0.55098221 Ni 3.49602540 8.67949584 5.19391397 -0.45104206 0.42471080 -0.00759421 Ni 6.90050277 6.91206572 3.40933419 0.61441848 0.34199396 0.36197007 Ni 8.67678323 8.67908207 3.44004213 -0.45878735 -0.49179574 0.04925843 Ni 8.68374091 6.90894689 5.18268164 0.37519749 0.50713925 -0.11345023 Ni 6.94767257 8.65803473 5.21809721 0.28142153 0.49047949 -0.29993516 Ni 0.02826909 0.01644756 6.95901675 0.34218329 0.29243713 -0.19463956 Ni 1.76220587 1.73075593 6.92472620 -0.27368825 0.06744124 0.14891639 Ni 1.72192553 0.03423637 8.67160730 0.11864893 0.26805593 -0.25232304 Ni 0.00516445 1.69802623 8.65374232 0.24640692 0.14612902 -0.31399857 Ni 3.47517280 0.02744478 6.97937694 -0.31060588 -0.66529211 -0.25416642 Ni 5.17956447 1.71315844 6.94217325 0.13463710 0.34548066 -0.16756602 Ni 5.17065240 0.02796950 8.65092228 0.29800217 0.09499360 0.04593308 Ni 3.46467561 1.76254499 8.69139779 -0.22002790 -0.12228114 0.45850966 Ni 6.92984117 0.01216271 6.93497879 0.11317271 -0.44988558 0.20886356 Ni 8.65432024 1.71823490 6.89765396 0.48112536 0.03877685 0.54763903 Ni 8.64327446 0.01133924 8.65794978 -0.73791529 0.80606754 -0.73161020 Ni 6.91560098 1.75949107 8.69715123 0.34739003 -0.28210292 0.15915422 Ni 0.02487631 3.47475429 6.96305934 -0.37209623 -0.08540523 -0.17380430 Ni 1.76472875 5.23188340 6.97334590 -0.24605253 -0.29168689 -0.33223488 Ni 1.69555220 3.43276339 8.68775231 0.20811785 0.05705255 0.44090139 Ni 0.01678656 5.16384747 8.68183529 0.28181418 0.36466532 -0.25332260 Ni 3.42533609 3.48690576 6.90451295 0.18909989 -0.23637150 0.20723542 Ni 5.21585200 5.18228731 6.95352411 -0.22702435 0.57245762 -0.42648461 Ni 5.18122803 3.43329186 8.63299965 0.18080473 0.21283393 0.60826441 Ni 3.47438468 5.16782787 8.68852542 -0.10850225 0.19383602 0.42718284 Ni 6.92263618 3.47307642 6.92169279 0.24038110 0.04215806 0.25038160 Ni 8.67905829 5.22045394 6.91045573 0.25737543 -0.21585035 0.36429273 Ni 8.68358057 3.44214293 8.66693310 -0.50202297 0.09504864 -0.52630579 Ni 6.91086944 5.22735030 8.68614065 0.24002771 -0.25336913 0.23083523 Ni 0.02106760 6.89795851 6.90015184 -0.49157233 0.34502813 0.47775846 Ni 1.72986703 8.64038936 6.91412256 -0.25984129 0.65030447 0.19894697 Ni 1.75610209 6.96479724 8.67213254 -0.62072206 -0.18822323 0.57541619 Ni 0.01032611 8.69608886 8.68756859 0.86689567 -0.92375055 -0.94997101 Ni 3.44430914 6.95880935 6.94550165 0.47223838 -0.53751603 -0.37233191 Ni 5.17384639 8.66050026 6.90014238 0.29204822 0.43190420 0.48194691 Ni 5.17761970 6.94639083 8.68599961 0.30298876 0.10657387 0.17130528 Ni 3.43553396 8.61662542 8.67199612 0.13784013 0.23468244 -0.11276288 Ni 6.96525558 6.96194808 6.91144167 -0.40585496 -0.17516108 0.36669650 Ni 8.67972147 8.66078631 6.96503310 -0.34611245 -0.41931829 -0.14347139 Ni 8.63754130 6.90078065 8.63811432 -0.25025678 0.22807700 -0.18362034 Ni 6.94006797 8.69543421 8.63796096 -0.09198983 -0.57954252 -0.47619464