108 Lattice="10.428450479148818 0.0 0.0 0.0 10.428450479148818 0.0 0.0 0.0 10.428450479148818" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.387209378605 stress="-0.010239460813453649 0.0004972851370615511 0.00047989443599146236 0.0004972851370615511 -0.009374957103374009 -0.0008772699134983295 0.00047989443599146236 -0.0008772699134983295 -0.010090182475774544" free_energy=-413.387209378605 pbc="F F F" Ni 0.00091947 0.00085481 0.03009735 0.61593194 0.59576803 0.52549640 Ni 1.76436764 1.76034033 0.00561307 -0.40705588 -0.42912049 -0.47912578 Ni 1.76286779 0.00594580 1.72065146 -0.26806476 -0.38643133 0.04051593 Ni 0.03065771 1.74311839 1.73459464 -0.38811822 -0.12932156 -0.17760416 Ni 3.50111146 0.00218536 0.03178095 -0.05754613 0.23401635 0.01787645 Ni 5.21129534 1.76906076 0.02237142 0.08073657 -0.52339441 -0.35780613 Ni 5.18723103 0.00601595 1.76499327 0.39473774 -0.20305035 -0.29590583 Ni 3.45199450 1.76423634 1.76013141 0.53896330 -0.40999308 -0.18279546 Ni 6.98503362 0.01074738 0.02349058 -0.23161541 0.31062511 0.26681545 Ni 8.67444871 1.78935277 0.03168944 -0.12628757 -0.17411465 -0.09282743 Ni 8.70418989 0.05967172 1.73884199 -0.05144032 -0.09076969 0.02243585 Ni 6.97516364 1.71806484 1.75513241 -0.42375090 0.24204731 -0.24990201 Ni 0.01861064 3.51773971 0.00570373 0.18848006 -0.20722996 0.10953259 Ni 1.77023729 5.22700605 0.03223429 -0.31464328 -0.11457739 -0.53951174 Ni 1.75763809 3.46240201 1.73233286 -0.18623011 0.14626677 0.25142088 Ni 0.02351342 5.17432997 1.76887145 -0.45455129 0.24987906 -0.12936167 Ni 3.46272850 3.46605719 0.02002434 0.21220560 0.25609043 -0.44264685 Ni 5.20261538 5.19041386 0.02155051 -0.14610638 0.23821967 -0.27171531 Ni 5.23123084 3.45206902 1.73272831 -0.19895191 0.25823992 0.48364790 Ni 3.44551582 5.23821773 1.77034271 0.54964133 -0.40911350 -0.07925871 Ni 6.92029357 3.49594022 0.03360505 0.42111978 -0.05339054 -0.54387396 Ni 8.67943620 5.24519737 0.01433062 -0.07246195 -0.18323346 -0.13899910 Ni 8.69378312 3.49373810 1.70872640 0.27555471 0.09796915 0.29425914 Ni 6.97190590 5.23508751 1.74910124 -0.27441140 -0.34132815 0.06089767 Ni 0.02993273 6.95824266 0.06065287 -0.11184915 -0.23276015 -0.10172892 Ni 1.73235932 8.67363001 0.01507363 0.27927309 -0.06586862 0.00430449 Ni 1.71033948 6.95055635 1.74016589 0.46053633 0.07006119 0.34439115 Ni 0.05749591 8.71361875 1.70815266 -0.21857142 -0.05771153 0.24650303 Ni 3.46627080 6.94733695 0.01917244 0.17985227 0.12286638 -0.39425927 Ni 5.18671762 8.70385014 0.00735971 0.19455946 -0.31184418 0.17524263 Ni 5.20467113 6.92942878 1.76263457 0.06859543 0.32145631 -0.12607273 Ni 3.49973936 8.68054487 1.72915641 -0.32399072 0.24381482 0.13305324 Ni 6.93221398 6.94185601 0.02909558 -0.05815529 0.21626375 -0.62776684 Ni 8.68655994 8.67348342 0.02039829 -0.45484009 -0.51321930 0.39283527 Ni 8.67815996 6.93250440 1.71506206 0.62711879 0.45949948 0.30835488 Ni 6.96680108 8.66671532 1.71392013 -0.08751350 0.49819870 0.20192984 Ni 0.00301323 0.01704158 3.48021877 0.27260813 0.12174058 -0.09202847 Ni 1.76200804 1.72025162 3.46779900 -0.16457740 0.17416349 0.33015036 Ni 1.75488642 0.02566871 5.23561680 -0.07263838 -0.48989969 -0.32583166 Ni 0.01251397 1.75103242 5.19077036 -0.23878478 -0.11826891 0.27639586 Ni 3.50585557 0.01294195 3.47927513 -0.28003250 -0.40144131 0.15530760 Ni 5.24252496 1.72633518 3.49886047 -0.28355101 0.29807363 -0.39461136 Ni 5.23135250 0.02880406 5.21886312 -0.13528216 -0.68428023 0.13512412 Ni 3.50603435 1.73980410 5.24063932 -0.41122303 0.04170232 -0.29595210 Ni 6.95478469 0.02772878 3.49709420 0.21886515 -0.80004669 -0.29024578 Ni 8.66932043 1.76478195 3.45270194 0.72196577 -0.04203986 0.35276686 Ni 8.69100778 0.01663336 5.22947924 -0.10036768 0.18897051 -0.00261405 Ni 6.95343141 1.71369640 5.19058549 0.27372054 0.47018296 0.71542768 Ni 0.01326472 3.45751066 3.48083464 -0.22837955 0.10264677 0.10817275 Ni 1.76656008 5.18566233 3.45940994 -0.22509418 0.18921574 0.43419589 Ni 1.76200575 3.48915224 5.23533566 -0.05354127 -0.38575566 -0.19646680 Ni 0.02448731 5.24681320 5.22896394 -0.62672408 -0.51494193 -0.47905204 Ni 3.50874788 3.43431980 3.48774884 -0.15295956 0.40557025 -0.05524347 Ni 5.24432551 5.19081026 3.45276031 -0.23876654 0.07735213 0.44582492 Ni 5.20133108 3.44527991 5.24063098 0.43964003 0.48305590 -0.16048688 Ni 3.47178386 5.18786828 5.21503407 0.21423689 0.25281899 0.09456023 Ni 6.95830990 3.46055382 3.49728240 -0.17291933 0.29317603 -0.22115635 Ni 8.67629082 5.21265443 3.48017286 0.37084774 0.04224379 0.05493249 Ni 8.65750133 3.50386270 5.23825627 0.49706230 -0.22730287 -0.15341615 Ni 6.93706546 5.24303136 5.23278871 0.02949773 -0.32933147 -0.33819699 Ni 0.00665400 6.95217090 3.48938415 -0.40753697 0.02738990 -0.28252956 Ni 1.71888268 8.68734934 3.44301769 0.39887918 0.32154553 0.28101482 Ni 1.70711707 6.95920424 5.21621262 0.67894912 0.17992864 -0.23660322 Ni 0.02404256 8.69996935 5.19997973 0.10242514 -0.09287329 0.19067817 Ni 3.48799955 6.94504849 3.51429258 -0.22492489 0.13995217 -0.17438346 Ni 5.19169608 8.72304153 3.48032059 0.25778274 0.11627754 -0.01362937 Ni 5.21082502 6.95582765 5.22747566 0.04431716 0.08806765 -0.25932628 Ni 3.47829204 8.69950889 5.24660430 -0.14113921 0.31446922 -0.36236425 Ni 6.96920487 6.98269510 3.46858524 -0.21850461 0.01770543 0.16283499 Ni 8.72224370 8.72010577 3.49413802 -0.38214442 -0.39104012 -0.18738400 Ni 8.66153950 6.96462444 5.21873906 0.38565101 0.15867559 0.22642995 Ni 6.95340881 8.71238485 5.21983698 0.00143523 0.14081867 0.20815917 Ni 0.02300542 0.00459289 6.92967252 0.13790342 0.25147028 0.06505749 Ni 1.76848840 1.71859722 6.95339313 -0.45805523 0.32055094 0.14424211 Ni 1.71905859 0.02322606 8.69470319 0.15503035 0.08486192 -0.25903299 Ni 0.00703831 1.71406924 8.67978897 0.25591061 0.21125513 -0.34925038 Ni 3.48894145 0.00778874 6.94485742 0.03143144 -0.52512157 0.24193619 Ni 5.20286463 1.76618298 6.95092087 0.45570646 -0.40908282 0.28236098 Ni 5.19407389 0.01201475 8.70008757 0.21163189 0.16445895 -0.23413581 Ni 3.49065528 1.72264505 8.68748663 -0.31132187 -0.01448033 0.55336392 Ni 6.94163988 0.00990605 6.95228005 0.21612095 -0.29450492 0.15028528 Ni 8.71847082 1.75700663 6.96559269 0.29416154 -0.28539811 -0.14359154 Ni 8.71256930 0.01579666 8.66660355 -0.49460818 0.45951440 -0.53569870 Ni 6.98497037 1.71969002 8.65797540 -0.21041347 -0.12597194 0.58643750 Ni 0.00644229 3.48382232 6.94089162 -0.34007698 -0.21691900 0.08285254 Ni 1.71388938 5.23548700 6.92005653 0.57961502 -0.27217799 0.43893087 Ni 1.72398129 3.51020894 8.66442471 -0.02615890 -0.40277911 0.41061051 Ni 0.01390950 5.21855252 8.68048149 0.07762787 0.13670006 -0.12137060 Ni 3.48481302 3.45275719 7.00108580 -0.13660991 0.59895136 -0.37291982 Ni 5.23823998 5.22762263 6.92013156 -0.53535988 -0.37176931 0.73850817 Ni 5.20215879 3.45250966 8.72356132 0.30322114 0.35300798 0.17374322 Ni 3.44241581 5.23282524 8.70358289 0.35595592 -0.18167817 0.08690172 Ni 6.98207093 3.45713564 6.97848164 -0.52141263 0.21903637 -0.12241681 Ni 8.66404742 5.20957598 6.96942217 0.48307414 0.18264579 0.16016479 Ni 8.68634024 3.45725564 8.71680967 -0.10621680 0.14597297 -0.11245657 Ni 6.96029525 5.23819622 8.71274853 -0.24144910 -0.26371403 0.32635286 Ni 0.02241465 6.93231171 6.93235924 -0.51819365 0.73171626 0.49784925 Ni 1.77203032 8.72129200 6.95741527 -0.60983355 0.24358468 0.10630904 Ni 1.76499213 6.95885121 8.67319169 -0.64333745 0.22429652 0.44757172 Ni 0.00088196 8.70155954 8.66326961 0.66508959 -0.68448886 -0.65259777 Ni 3.44602931 6.97052200 6.96256471 0.25605323 -0.54551102 -0.41782459 Ni 5.18446994 8.66499775 6.98533913 0.36446756 0.54780712 -0.34796554 Ni 5.16580182 6.97875721 8.70704680 0.33089264 -0.51148579 0.37432870 Ni 3.48753541 8.67450428 8.68237915 -0.25051668 0.31339593 0.25451610 Ni 6.92645523 6.93070071 6.98637138 0.39754993 0.65630013 -0.13400370 Ni 8.69019724 8.71392549 7.00104362 -0.46139400 -0.49953085 -0.17882179 Ni 8.67024163 6.96625809 8.71202604 -0.18767355 0.04400289 -0.31051047 Ni 6.92328387 8.68030663 8.68266389 0.10124512 -0.17824732 -0.12853037