108 Lattice="10.985065788158838 0.0 0.0 0.0 10.985065788158838 0.0 0.0 0.0 10.985065788158838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-262.39349596413155 stress="-0.007244197064536632 -0.00045623694753617463 -0.00011627619701936664 -0.00045623694753617463 -0.007205512808794815 -0.0004064041762296385 -0.00011627619701936664 -0.0004064041762296385 -0.006974848089476014" free_energy=-262.39349596413155 pbc="F F F" Ni 0.01854869 0.00910043 0.02373581 -0.29320581 -0.34133677 -0.31696729 Ni 1.85342987 1.80545861 0.02629211 0.34432786 1.00726950 -0.74300370 Ni 1.85234983 0.00049278 1.82130774 0.40859521 -0.93483533 0.74673205 Ni 0.02282133 1.82596440 1.81467356 -0.66569531 0.69124975 0.57929139 Ni 3.64652786 0.03541927 0.02758210 0.30806224 -0.61099953 -0.64674474 Ni 5.51974635 1.82179223 0.00576956 -0.49829021 0.86798617 -0.59683291 Ni 5.49969113 0.00394392 1.80681604 -0.39396885 -0.55522431 1.11815737 Ni 3.64370957 1.79485159 1.85727648 0.41740705 1.16443308 0.54496378 Ni 7.28701974 0.02606572 0.02316093 0.08833565 -0.76921985 -0.68694846 Ni 9.18658203 1.81093161 0.00859282 0.21292015 0.50050699 -0.39827188 Ni 9.16722625 0.01699629 1.86135968 0.50461537 -0.48774429 0.15280934 Ni 7.29806843 1.79717186 1.79909733 -0.40722315 1.27079436 1.10756490 Ni 0.03552446 3.69733568 0.02634743 -0.51915320 -0.26475776 -0.53055968 Ni 1.79662126 5.52175561 0.01634046 1.01589458 -0.04501779 -0.73970024 Ni 1.82215728 3.69056668 1.81891882 1.07706474 -0.14204753 0.95017769 Ni 0.00355627 5.52573341 1.81766916 -0.67306383 -0.10096050 0.67945335 Ni 3.68236400 3.66327057 0.01061459 -0.27534094 -0.15983592 -0.29965384 Ni 5.46493680 5.48555030 0.02083776 0.21830694 0.10829607 -0.40506338 Ni 5.47969922 3.64892696 1.83280705 0.22696345 0.13848242 0.80146685 Ni 3.65451894 5.51652929 1.79667406 -0.06985941 -0.32287788 1.28329021 Ni 7.32475562 3.69493504 0.02900319 -0.43937423 -0.19961981 -0.45771586 Ni 9.13944836 5.52155546 0.00008389 0.56628398 -0.26054131 -0.32973525 Ni 9.15309638 3.62607433 1.85259258 0.34253623 0.28188274 0.09687613 Ni 7.34661497 5.52395152 1.82321074 -1.14028178 -0.66012694 1.01363089 Ni 0.00967903 7.35747014 0.00485353 -0.57226305 -0.44732947 -0.55152520 Ni 1.82966440 9.15989416 0.03438328 0.56713929 0.49652926 -0.53136200 Ni 1.82592896 7.30994166 1.83134168 0.76771234 -0.51582202 0.82112367 Ni 0.03033130 9.13954282 1.83830077 -0.55088753 0.64801742 0.45727618 Ni 3.67598327 7.35014954 0.02981356 -0.07458433 -0.64847967 -0.63835431 Ni 5.48348284 9.16078981 0.00611639 0.05860079 0.31691108 -0.21696545 Ni 5.50701050 7.31705552 1.85553450 -0.09822010 -0.77832100 0.59387033 Ni 3.65299855 9.12336062 1.85994240 0.01301511 0.71787658 0.30192174 Ni 7.31710273 7.30633784 0.01771168 -0.65818954 -0.15179027 -0.77325384 Ni 9.18838688 9.15778477 0.01016527 -0.00206647 0.10742280 -0.09873546 Ni 9.12391072 7.32770013 1.82879415 0.88515541 -0.39941543 0.64142007 Ni 7.30546540 9.13191343 1.85463670 -0.42866453 0.67889217 0.22847903 Ni 0.01011353 0.00161284 3.62528090 -0.36010744 -0.41300590 0.20640653 Ni 1.82734495 1.79475870 3.63456396 0.64577842 1.26583439 0.43664910 Ni 1.85979033 0.01072926 5.49264586 0.25966419 -0.60987709 0.09584009 Ni 0.01313448 1.80012344 5.51652193 -0.51041565 0.83471366 -0.45557280 Ni 3.66395857 0.01415512 3.71329806 0.28144341 -0.50558010 -0.42689806 Ni 5.49165320 1.86469918 3.67271017 0.07448966 0.30503451 -0.26358665 Ni 5.52401522 0.03085165 5.46821500 -0.11577518 -0.60127852 0.22928589 Ni 3.67937457 1.80036546 5.51829734 -0.17014124 1.27273911 -0.19532643 Ni 7.35735742 0.00324009 3.63042654 -0.96150878 -0.44851254 0.15008265 Ni 9.12216559 1.85992767 3.64231191 0.61220065 0.34486676 0.33717349 Ni 9.15907768 0.01748697 5.45687667 0.27503814 -0.24679683 0.17192635 Ni 7.29144297 1.80909251 5.48622837 -0.19488386 0.82847998 0.11799267 Ni 0.00281571 3.68340051 3.63287625 -0.41899929 -0.28518770 0.16245411 Ni 1.79686878 5.49535557 3.68227829 1.21279038 -0.06910984 -0.35767915 Ni 1.80029044 3.66703683 5.47139133 1.38311117 -0.36579764 0.03895857 Ni 0.03422082 5.46585432 5.52662688 -0.59986693 0.42829189 -0.32072438 Ni 3.67295440 3.63283656 3.64902095 -0.42875419 0.30476993 0.24046267 Ni 5.46728211 5.45721945 3.65309793 0.32421558 0.25188961 0.19603828 Ni 5.51649393 3.65402275 5.49723608 -0.35237793 0.34162834 0.04883603 Ni 3.64584709 5.49915801 5.47406962 0.26975369 -0.34961659 0.08653241 Ni 7.35428256 3.64205145 3.69750718 -1.26546482 0.32267895 -0.42655585 Ni 9.13347964 5.45458326 3.64057824 0.53579382 0.12852222 0.21198113 Ni 9.14984927 3.66244885 5.51912822 0.53727507 -0.20475926 -0.23057768 Ni 7.34974720 5.47820507 5.52416392 -1.28223394 0.24578351 -0.43297103 Ni 0.00389897 7.33961009 3.62975714 -0.44106659 -0.65918602 0.59058747 Ni 1.83156993 9.16862248 3.68683693 0.45584326 0.38613177 -0.07967620 Ni 1.86723663 7.29723651 5.48438664 0.29078210 -0.62467626 -0.17982539 Ni 0.03279568 9.13907638 5.52363732 -0.55173069 0.35486625 -0.36179624 Ni 3.64774767 7.33850074 3.63221980 0.14517789 -1.17175647 0.32396490 Ni 5.46800707 9.14842193 3.64250568 0.12321725 0.32028931 0.35565315 Ni 5.47060145 7.33170565 5.50958907 0.15370217 -0.98970535 -0.43347640 Ni 3.63842218 9.12687625 5.48976661 0.47597393 0.51060250 -0.11918804 Ni 7.34821340 7.30555701 3.67502247 -1.19322913 -0.80725812 0.26095617 Ni 9.12093429 9.16467591 3.65972757 0.53336020 0.37562492 0.01564319 Ni 9.17436201 7.30589381 5.47257034 0.34225260 -0.20796924 0.01464800 Ni 7.31326740 9.15092899 5.46711540 -0.41106356 0.24357971 0.20182870 Ni 0.01626432 0.03042667 7.33774481 -0.61266845 -0.69104704 -0.49434548 Ni 1.81924529 1.82443501 7.31934785 0.97890673 1.00224948 -0.69880492 Ni 1.79774774 0.02590561 9.14260487 0.62898157 -0.61143865 0.58546725 Ni 0.02274306 1.85656605 9.14905068 -0.60606051 0.51082797 0.49388881 Ni 3.68263526 0.00935310 7.35984445 -0.13317841 -0.45854373 -0.86440945 Ni 5.49689149 1.85588562 7.33286165 0.01465368 0.39264995 -0.77102289 Ni 5.46995814 0.00527346 9.11777700 0.09082228 -0.24337943 0.65111655 Ni 3.61651492 1.85022288 9.16574683 0.14005948 0.42330307 0.50097000 Ni 7.32453664 0.01270790 7.35419861 -0.43758793 -0.69476021 -0.85160675 Ni 9.13247562 1.83480845 7.33501083 0.72500998 0.30894280 -0.75895647 Ni 9.15463307 0.00730528 9.17883782 0.25012436 -0.20366173 0.20427080 Ni 7.33414907 1.82798683 9.13102380 -0.70823881 0.56929959 0.80978997 Ni 0.03067159 3.68943259 7.31777720 -0.59592523 -0.28978146 -0.50527671 Ni 1.86229434 5.50246051 7.33825546 0.90846463 -0.24056805 -0.82718177 Ni 1.80426850 3.69660659 9.15859636 0.98948927 -0.10638247 0.41773783 Ni 0.02381147 5.48142591 9.13397193 -0.53441111 0.32062179 0.42260596 Ni 3.68387208 3.62519089 7.32917828 -0.42591933 0.47721731 -1.03661019 Ni 5.45750495 5.52378064 7.32202211 0.20355478 -0.50757610 -0.94145664 Ni 5.47821187 3.62918781 9.14181768 0.35440908 0.26126342 0.38121415 Ni 3.71944910 5.47598486 9.15456209 -0.41095400 -0.06339723 0.40017226 Ni 7.35088821 3.66428842 7.30756259 -1.06047292 0.27713244 -0.31802157 Ni 9.17703381 5.52238445 7.27584908 0.50983743 -0.31293225 0.13898493 Ni 9.15681894 3.63990082 9.16356293 0.25573912 0.39324311 0.21628484 Ni 7.30536942 5.52127126 9.15395740 -0.33848734 -0.63963207 0.35079953 Ni 0.03182725 7.32967480 7.30403725 -0.56978680 -0.72480789 -0.36240301 Ni 1.84768949 9.14698736 7.25947871 0.43816289 0.73219107 0.14051196 Ni 1.86584495 7.32471191 9.13208846 0.21264333 -0.66742737 0.72587785 Ni 0.01306512 9.12167620 9.14647933 -0.09546491 0.23160155 0.13314739 Ni 3.64233941 7.35226975 7.34786674 0.41390792 -0.99432348 -0.97057278 Ni 5.52997732 9.13727629 7.31300630 -0.29976862 0.48471174 -0.33684022 Ni 5.49219884 7.30595113 9.15927028 -0.10193303 -0.20151917 0.50660818 Ni 3.65286931 9.11983001 9.16561161 0.18342457 0.61811977 0.28834863 Ni 7.32727597 7.29544369 7.35557255 -0.67042003 -0.25466534 -1.34738832 Ni 9.17370722 9.17747447 7.33031657 0.15574098 0.27623779 -0.65723632 Ni 9.12189145 7.34993057 9.12279767 0.78244665 -0.65553748 0.61111639 Ni 7.33227248 9.12969246 9.17466070 -0.57194976 0.57526743 0.39606146