108 Lattice="10.454018960807979 0.0 0.0 0.0 10.454018960807979 0.0 0.0 0.0 10.454018960807979" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.90672390372976 stress="-0.00962192032198597 0.0005370567446804352 -0.0011617791094957865 0.0005370567446804352 -0.010569923310638697 3.8779826268479394e-05 -0.0011617791094957865 3.8779826268479394e-05 -0.009479555752564093" free_energy=-417.90672390372976 pbc="F F F" Ni 0.02061521 0.01329433 0.02747669 0.21237038 0.11910974 0.10684045 Ni 1.77638258 1.70751450 0.01624690 -0.07168360 0.65702234 -0.70196742 Ni 1.77633192 0.01135423 1.72265328 -0.15046882 -0.61612433 0.57178688 Ni 0.02838632 1.72648762 1.70902561 -0.40358375 0.16741046 0.71135874 Ni 3.45138450 0.02333816 0.01725899 0.31923460 -0.35379270 -0.35540438 Ni 5.20467740 1.74951923 0.00705074 0.31170849 0.27438864 -0.43119255 Ni 5.19890719 0.02794902 1.71456160 0.33267156 -0.41183614 0.47707725 Ni 3.45795837 1.74847398 1.70949982 0.41118827 0.37539363 0.75893120 Ni 6.96230127 0.00187017 0.01991574 -0.19358112 0.16231858 0.03409555 Ni 8.73057387 1.74461635 0.02943982 -0.09238999 0.23816409 -0.01033108 Ni 8.70800209 0.02387836 1.75632365 -0.07695431 -0.18645227 0.14260427 Ni 6.97231222 1.75963682 1.73648677 -0.16533821 -0.08268555 0.15705540 Ni 0.02402348 3.42143608 0.05086917 -0.16213042 0.30399763 -0.26749152 Ni 1.72146106 5.20261639 0.03063098 0.23970249 0.21465456 -0.63983635 Ni 1.76057638 3.49138799 1.73330015 -0.01320615 -0.26960090 0.36429430 Ni 0.03001498 5.23920507 1.77450624 -0.77891949 -0.12210700 -0.22827381 Ni 3.50908107 3.50755801 0.01588916 -0.19981999 -0.19310133 -0.65011930 Ni 5.21885063 5.26408117 0.01142942 0.18833964 -0.30466667 -0.62155294 Ni 5.22897814 3.50498601 1.76651046 -0.25143144 -0.37795691 -0.23183129 Ni 3.48091923 5.20150080 1.71972749 0.01986309 0.29430140 0.52489260 Ni 6.99976680 3.49291123 0.02401171 -0.59831948 -0.18367259 -0.62752516 Ni 8.69976596 5.22169418 0.02272148 0.09570911 0.27662263 -0.12095229 Ni 8.71266302 3.51813619 1.73069556 0.47832693 -0.34883588 0.41629808 Ni 6.93300554 5.19359547 1.72661898 0.21892392 0.73663836 0.27485044 Ni 0.02613346 6.97901827 0.03768505 -0.05053472 -0.32618129 -0.13903278 Ni 1.74276772 8.72651044 0.02412331 0.40178523 -0.14278163 0.14680443 Ni 1.72579804 6.94805180 1.77339326 0.54770036 0.33249022 -0.38832166 Ni 0.01740059 8.68333237 1.75447612 -0.03116286 0.27971513 0.27223035 Ni 3.47676949 6.96078481 0.02859283 -0.29660554 0.04638267 -0.48992670 Ni 5.25119170 8.69059567 0.02081147 -0.19396134 0.15905986 -0.19504363 Ni 5.20089325 6.97477051 1.71661222 0.37533733 -0.28929150 0.51551475 Ni 3.50823678 8.72313544 1.77470244 -0.45651397 0.36230571 -0.20333929 Ni 6.97245270 6.97578601 0.00824671 -0.09788559 -0.20930187 -0.28570961 Ni 8.67730586 8.73652469 0.02814985 -0.25327540 -0.24263318 0.20988524 Ni 8.70263788 6.99641156 1.73078223 0.13657579 -0.29158163 0.40139176 Ni 6.94928227 8.74574858 1.74435678 0.04295309 0.09987231 0.44664066 Ni 0.03071980 0.02618742 3.49867718 -0.15189587 -0.16395362 -0.22312366 Ni 1.73325579 1.72169549 3.48816226 0.19795405 0.45948620 -0.15870648 Ni 1.71579955 0.03078920 5.25820422 0.35317112 -0.55371874 -0.22807471 Ni 0.00510295 1.74808200 5.24124504 -0.55716588 0.26610640 -0.13748670 Ni 3.49882232 0.01220227 3.47076350 -0.08007516 -0.37982003 0.24317381 Ni 5.23151703 1.76630126 3.47897072 -0.18660557 -0.12141588 0.02619303 Ni 5.25041046 0.02326932 5.26134211 -0.32698679 -0.43892492 -0.32427401 Ni 3.45779177 1.73723377 5.21970973 0.29227373 0.18864852 0.03023629 Ni 6.97301185 0.01944650 3.51524714 -0.37944160 -0.48586722 -0.52828388 Ni 8.74250155 1.71380173 3.45065136 0.17731979 0.70067885 0.08323417 Ni 8.72631916 0.03261304 5.20256372 0.03124972 -0.15372192 0.33085578 Ni 6.99206879 1.71238233 5.20971071 -0.30144710 0.65396622 0.09843707 Ni 0.00440836 3.51199773 3.45175340 -0.36531747 -0.55745607 0.13527544 Ni 1.72278921 5.24802968 3.46519778 0.45948985 -0.32222576 0.45502848 Ni 1.71116955 3.45971515 5.25000953 0.38923813 0.31092837 -0.45284163 Ni 0.00229884 5.20710577 5.19664654 -0.44496794 0.36981781 0.25813541 Ni 3.45675706 3.50186677 3.51657728 0.16809748 -0.31931886 -0.28091706 Ni 5.22366645 5.20761846 3.50276128 -0.12604600 0.26377863 -0.11371866 Ni 5.25223026 3.45385821 5.25831680 -0.25557590 0.27280035 -0.14600209 Ni 3.48335013 5.21822374 5.21853221 -0.01726226 -0.07846179 0.13254780 Ni 6.95086267 3.50244452 3.45126408 0.32958313 -0.34362342 0.57095533 Ni 8.68926326 5.23174691 3.46506085 0.43302846 0.10481492 0.07551860 Ni 8.73347181 3.45905212 5.21773496 0.08754103 0.27266509 -0.17540687 Ni 6.97731717 5.24350850 5.22362596 -0.16589298 -0.17908529 0.22336337 Ni 0.02398829 6.99879495 3.46640709 -0.63599236 -0.39263987 0.37330449 Ni 1.75198799 8.69685921 3.51723525 0.24008315 0.49979585 -0.23548957 Ni 1.73718267 6.95550824 5.25724065 -0.01246104 -0.18803640 -0.50702129 Ni 0.01713592 8.70695823 5.22011199 -0.09939453 0.00839801 0.16316513 Ni 3.46881030 6.95804490 3.44612408 0.12899243 -0.17370428 0.47694642 Ni 5.20746990 8.69197888 3.45727245 0.07860879 0.47714407 0.34667429 Ni 5.20017132 6.97443918 5.21695459 0.20130024 -0.31615243 0.07058079 Ni 3.46536145 8.67893762 5.26164849 0.25860975 0.59775564 -0.44687897 Ni 6.93545564 6.95555519 3.48747097 0.20600046 0.18140600 -0.28738884 Ni 8.74550918 8.71795783 3.51444192 -0.41252239 -0.08840935 -0.24916811 Ni 8.71342864 6.99119488 5.19534410 0.14556936 -0.18902309 0.24698566 Ni 6.91903515 8.71789456 5.23112181 0.24180105 0.27383617 -0.21693142 Ni 0.00239863 0.01962271 6.96792696 -0.00641904 0.06166021 -0.04887730 Ni 1.73743970 1.76934192 6.99981598 -0.00402172 -0.20002808 -0.15020260 Ni 1.72764043 0.03867351 8.73297910 0.35647677 -0.12260307 -0.12146288 Ni 0.02808910 1.75361723 8.73711299 -0.15015145 0.37912076 -0.12162041 Ni 3.45077131 0.01996111 6.93666529 0.16428039 -0.52915806 0.22564203 Ni 5.20542918 1.73631081 6.99669439 0.11278926 0.18962935 -0.53472521 Ni 5.25825472 0.00202150 8.69606909 -0.36198124 -0.26023567 0.09991210 Ni 3.50572778 1.71866575 8.70521070 -0.27370140 0.35381142 0.57796674 Ni 6.93742428 0.02309570 6.98158125 0.42289414 -0.49231741 -0.37776786 Ni 8.68632544 1.78397951 6.93900271 0.46130246 -0.30757526 0.29357957 Ni 8.68821432 0.00124459 8.71882712 -0.33943457 0.45846456 -0.47240681 Ni 6.93385808 1.71460051 8.70742009 0.35179604 0.44664447 0.45400763 Ni 0.01668823 3.49690169 6.94699979 -0.58089555 -0.04750445 0.18565620 Ni 1.76535096 5.23059651 6.94879356 -0.13051701 -0.05421811 0.21413029 Ni 1.72758769 3.51577408 8.71961619 0.36315991 -0.25423649 0.40071848 Ni 0.03047687 5.23488788 8.68691578 -0.19831431 0.03181754 0.12014707 Ni 3.44481155 3.44882379 6.97648072 0.56369263 0.49946310 -0.10492467 Ni 5.22843727 5.25579556 6.98239821 -0.07898476 -0.52911695 -0.37820429 Ni 5.25359905 3.46184451 8.70813919 -0.28315062 0.19067785 0.39493893 Ni 3.50502493 5.20358933 8.74518878 -0.20693418 0.14389636 0.12901198 Ni 6.95482370 3.46687471 6.98032531 0.22848151 0.39359537 -0.20436103 Ni 8.74028194 5.26157339 6.92792749 -0.03422059 -0.29527716 0.16727077 Ni 8.72083436 3.47267794 8.72236790 -0.27501446 0.09260793 -0.23155978 Ni 6.94662214 5.22999066 8.74556323 0.21395633 -0.14636075 0.03546907 Ni 0.00536613 6.97962074 6.99302784 -0.35152223 -0.21467913 -0.33427067 Ni 1.76642783 8.67931175 6.94166937 -0.29613438 0.60450358 0.22828124 Ni 1.73525605 6.97827359 8.73437158 0.29890134 -0.34474320 0.20106803 Ni 0.02757922 8.73007910 8.73820332 0.41060464 -0.34273844 -0.46233043 Ni 3.45013927 6.95686239 6.95348394 0.44899896 -0.26880098 0.31436344 Ni 5.24177518 8.68192012 6.95058016 -0.30906907 0.52873701 0.16247845 Ni 5.23064366 6.93497358 8.68297001 -0.26157140 0.22353111 0.63441179 Ni 3.46366955 8.69482785 8.68152505 0.19718007 0.02881374 0.07842059 Ni 6.96062115 7.00206926 7.00263520 0.13940672 -0.53676776 -0.66321382 Ni 8.70050841 8.72179918 6.96174912 -0.16367616 -0.10453171 -0.26898555 Ni 8.67895495 6.96673652 8.69618425 0.14593739 -0.27665252 0.04974093 Ni 6.95349577 8.68730917 8.73664204 -0.26962936 0.09685807 -0.06590002