256 Lattice="12.942002879109761 0.0 0.0 0.0 12.942002879109761 0.0 0.0 0.0 12.942002879109761" Properties=species:S:1:pos:R:3:forces:R:3 energy=-615.8836711237798 stress="-0.006461069893235485 0.004022828428039214 0.0016011612154323634 0.004022828428039214 0.0020193050668335247 0.00178246207587702 0.0016011612154323634 0.00178246207587702 -0.0032911938583874575" free_energy=-615.8836711237798 pbc="F F F" Ni 0.04139612 0.00025327 0.00922421 0.29148631 1.12039983 0.30180463 H 1.56032285 1.61924950 0.02913797 -0.32414190 -0.03196739 0.06185523 Ni 1.64695452 0.04142162 1.60004028 -0.22263664 -0.31980117 -0.07992928 H 0.02241770 1.60682989 1.60961646 0.07174502 -0.02693992 -0.29257899 H 3.20247441 0.01802080 0.05216336 0.09004946 -0.00662997 0.15861685 Ni 4.84383733 1.61673354 0.02851723 -1.20946969 -0.03687837 -2.53695066 Ni 4.85744600 0.02484445 1.59510324 -1.45835180 -2.61086497 0.29156679 Ni 3.23054503 1.60714267 1.63641467 -0.95961748 -0.76055847 -1.65516080 Ni 6.45984455 0.01700734 0.00278512 1.00727975 -0.71469372 -1.27636708 H 8.12001487 1.62850860 0.04059651 -0.18032441 -0.39092229 -0.05454502 Ni 8.08105511 0.00573059 1.59940670 1.34625253 -0.19115718 0.24104214 Ni 6.49525070 1.60279637 1.59567887 2.52169559 2.09778244 1.22960276 Ni 9.73164829 0.01698055 0.02595074 -0.18390292 0.68262366 0.41855697 H 11.31712878 1.66419593 0.00582933 -0.06481008 -0.24447843 0.31783415 Ni 11.34339621 0.02390305 1.64027131 -0.82939488 0.96064875 0.43932469 H 9.69736507 1.61158578 1.60632341 0.27684480 -0.41209047 -0.20972172 Ni 0.01265394 3.21736658 0.01455984 0.56092004 -0.33087723 0.51900153 H 1.59149970 4.84235103 0.02800348 -0.45593989 -0.17083784 -0.07725309 Ni 1.64410110 3.25551980 1.63681988 -0.89417650 1.08262205 -0.61095664 H 0.01404384 4.85487793 1.60667562 -0.11451490 -0.16112274 -0.47418076 H 3.21304267 3.18668483 0.00394825 0.08463300 -0.20963765 0.01053880 H 4.84484665 4.87145782 0.02746482 0.34460186 0.09957209 0.05263702 Ni 4.85434505 3.22152791 1.58702042 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0.01087206 0.25902212 H 4.79487480 8.07992968 0.02014508 0.15661320 -0.08990738 -0.12453761 Ni 4.86484800 6.47865801 1.63943253 0.03813465 0.13170225 -0.65672220 H 3.20441526 8.08476871 1.61609755 0.08611280 0.07496757 0.52164560 Ni 6.48766571 6.44831821 0.00461675 -1.16608976 1.01090751 -1.17130017 Ni 8.07987665 8.08750048 0.01845950 0.11407393 0.96304271 0.52432245 Ni 8.11954484 6.48659404 1.59881550 -0.19096826 1.88899112 2.44180346 H 6.45008206 8.09617850 1.61700574 -0.04566779 0.03008441 -0.06241218 Ni 9.70410975 6.44817194 0.01675795 1.57613745 1.23981131 -0.67144801 H 11.31327249 8.09512173 0.00562844 -0.07797496 0.18886381 -0.07112291 H 11.31404697 6.46773411 1.62333760 0.10093199 -0.02978844 -0.08390047 H 9.70597508 8.03167252 1.64906899 -0.09628950 0.13725615 -0.07566261 H 0.05495370 9.70052243 0.01265787 0.15195694 0.29566820 0.44085596 H 1.64206980 11.30368108 0.02635024 -0.29148351 -0.12901699 0.38979247 Ni 1.63525203 9.71260250 1.59176176 0.79061530 -0.55524023 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0.22321823 Ni 1.60562328 1.60008645 3.23871453 -0.53433271 -0.47695670 0.05627385 Ni 1.58967075 0.02633299 4.84640690 0.57438681 -0.03849648 0.26248819 Ni 0.02074981 1.59725310 4.84779874 -0.93157616 0.05199510 0.52516647 H 3.24170161 0.02514467 3.24414701 -0.23442436 0.06368065 -0.30913417 Ni 4.82956935 1.61509629 3.25899913 -0.58188061 -1.11181557 1.71472201 H 4.90638389 0.02899082 4.89310709 0.29388326 -0.11085918 0.06878320 H 3.25225854 1.64811012 4.81449851 -0.15336111 0.13168853 -0.26860242 Ni 6.44565888 0.00566369 3.23007822 0.68851754 -1.38573240 1.13604292 H 8.11126237 1.62774832 3.20885302 -0.32709738 -0.36084394 -0.16988930 H 8.09546375 0.04756349 4.85009496 -0.27544466 -0.02602424 0.29982412 Ni 6.49803049 1.60379275 4.86780914 0.39029336 0.13116457 -1.06199261 H 9.71047502 0.03060295 3.25869656 0.28284086 -0.30947533 -0.14802711 H 11.28088258 1.62479166 3.23423975 0.33137934 -0.04796780 -0.02451225 Ni 11.35140527 0.02305421 4.84054958 -0.38857890 0.98585038 -0.14832502 H 9.70238842 1.64906001 4.82362746 0.26333258 -0.18870809 0.26310278 H 0.01418797 3.21348815 3.27375163 0.08230363 -0.11167679 0.30960365 H 1.62348826 4.88756830 3.27781186 0.09528088 -0.12163083 0.33075961 Ni 1.59049039 3.26620101 4.82383971 1.47067821 0.36127788 0.82575302 Ni 0.01371530 4.86136665 4.83804247 -0.33489670 -0.07096714 -1.07618852 Ni 3.26687199 3.26468793 3.25294953 -0.32870277 2.48076435 0.90415697 H 4.86899247 4.85725923 3.20410565 -0.06910494 -0.09108202 -0.18107500 Ni 4.87198656 3.22541424 4.86542059 -1.37129592 0.57686653 0.76682778 H 3.27522033 4.90043956 4.86271389 -0.14781579 -0.11176797 -0.27178939 H 6.47377457 3.23062358 3.22996627 -0.28253860 0.04779640 0.06142152 Ni 8.07397300 4.84210608 3.26217951 0.07933418 -1.55744074 -1.10139293 H 8.10265158 3.26532326 4.86579068 -0.26840864 0.17867114 0.13256081 Ni 6.50122021 4.85842848 4.86249527 -1.22277429 -0.52243753 -1.02062680 H 9.71787986 3.24596302 3.23394443 0.26101681 0.40118634 -0.02397927 H 11.32029871 4.82530178 3.25267116 0.08200067 -0.26469231 0.05801729 Ni 11.32188222 3.21373906 4.88237636 -0.45996086 -1.11836626 -0.48276079 Ni 9.65944098 4.82735009 4.83326468 0.04181087 -0.34730082 0.54139960 H 0.00347412 6.49680608 3.22533792 -0.09555622 0.08672160 0.38316685 Ni 1.64671129 8.05300903 3.22579056 -1.28798567 0.02327155 -1.68624443 Ni 1.64725310 6.48549404 4.84818062 0.55412113 -1.71596537 0.79512455 Ni 0.02580004 8.08991506 4.87201031 -0.20694246 0.36985165 -0.01848713 Ni 3.25375666 6.46309885 3.20769901 -0.19969328 -2.50210366 -0.49309413 Ni 4.84058112 8.06709455 3.26674713 2.51533191 -0.69370837 0.34534970 H 4.90272268 6.46980481 4.84684752 0.01023051 0.16633619 -0.05543276 Ni 3.28321950 8.11383393 4.82675088 -0.07875986 0.84049299 3.07588175 H 6.47206831 6.45503266 3.25625943 0.31045382 -0.19856799 -0.10814110 Ni 8.05783866 8.09689639 3.25214213 -0.62214109 -1.31146452 -2.60009053 Ni 8.07618712 6.44101192 4.85023048 0.51230627 1.35742809 1.12895414 H 6.44040566 8.10972014 4.80650392 0.27785036 0.05855138 -0.30511417 H 9.71691774 6.47446928 3.23669240 -0.23819423 -0.02187465 0.36398399 Ni 11.31278369 8.07661907 3.21791243 -0.12461628 -0.59949070 -0.71498124 Ni 11.35424187 6.47849797 4.86250690 -0.33946493 -0.40932416 0.20347903 Ni 9.68503639 8.06902170 4.84181091 1.24976802 -1.08893684 2.13614317 Ni 0.02499569 9.74429379 3.24742145 -0.62536663 -0.29198225 1.17907331 Ni 1.59707974 11.34835639 3.23119797 0.58836997 0.62261034 0.71885486 H 1.63377250 9.75503198 4.85494082 -0.05336100 -0.03776691 -0.37941475 H 0.05013744 11.31080932 4.87889133 -0.09785816 -0.08665566 -0.07844584 Ni 3.24155044 9.67795025 3.24009417 -0.29007340 1.11061156 -0.20396021 Ni 4.85399346 11.35614237 3.22543205 -0.46393466 0.76992148 0.59895514 H 4.85409195 9.70188350 4.83507051 -0.37941384 0.16440516 -0.39138402 Ni 3.22244339 11.32003132 4.88357515 -0.68985281 -0.77960031 0.60135270 Ni 6.46997907 9.68213577 3.22135646 0.48143303 0.49689542 0.25808762 H 8.09492334 11.34070960 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1.57847735 9.71916307 8.10781478 -0.13096898 -0.02074991 0.19091547 H 0.03230304 11.33820713 8.08793468 0.21871949 -1.12173712 -0.82656936 H 3.18407603 9.76161288 6.48962044 0.20756308 0.25768116 -0.24024497 Ni 4.83815244 11.33012874 6.49950806 0.13792535 -0.75665197 -0.25118147 H 4.90929340 9.67623798 8.15008124 0.13061216 0.52755961 0.30773273 H 3.24131049 11.32965863 8.08924825 0.28957725 0.10474774 0.18847390 H 6.47421730 9.70966557 6.48437619 0.03819633 0.50614484 0.03710975 Ni 8.09194915 11.35658567 6.47824169 -1.24999652 0.72410239 0.38634126 H 8.11129084 9.69642483 8.07444610 0.22042566 0.51813869 -0.01183233 Ni 6.43500785 11.29983915 8.05818755 0.59119846 -0.28260708 -0.27443667 Ni 9.68959135 9.71768198 6.49204331 0.82269233 -1.89577336 0.54102737 Ni 11.34008787 11.34102923 6.48807163 0.65248452 -0.08944622 0.03455693 H 11.28076402 9.71832123 8.05305196 -0.10131191 0.37341930 -0.15895118 Ni 9.71754689 11.27508042 8.07314102 -0.10164525 -0.07525204 1.27013660 H 0.00682003 0.02144938 9.72112657 0.23383899 1.07816622 0.85201192 H 1.60642043 1.62253787 9.69626680 0.10213841 0.28429956 0.19771092 H 1.59867779 0.01087630 11.27056346 -0.10495032 0.44322129 0.09708461 Ni 0.02388384 1.63346159 11.29993649 1.07472273 -0.87757039 -1.46658499 H 3.20414955 0.00058020 9.71395629 0.23088201 0.00912446 0.20327310 Ni 4.88058313 1.63221923 9.70096364 -0.06340750 -2.03328098 0.40546553 Ni 4.86409944 0.00294140 11.27421849 0.19140937 -0.41644197 -0.13095526 Ni 3.24465022 1.63228024 11.29240548 -0.72279035 -0.43529137 0.37554375 H 6.45446273 0.02652023 9.70354289 -0.09722307 0.02525927 0.15937286 H 8.07452862 1.61472820 9.72441790 -0.30260641 0.08016231 -0.00728417 H 8.08530136 0.00618826 11.30608289 -0.58407863 0.52747252 -0.10241289 Ni 6.45994512 1.65123070 11.34173048 0.76676872 -0.41617608 0.15838731 H 9.67874596 0.01072951 9.71874775 0.19853088 -0.16868113 -0.23773457 Ni 11.33175676 1.64003829 9.73393985 -0.09756601 -1.56491407 0.71887797 H 11.33151595 0.01277516 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0.38151565 -0.87501559 H 6.48802129 8.09617403 11.27237532 0.11072048 0.29724744 0.20098585 Ni 9.72306349 6.50111316 9.68571355 -0.50943726 0.63560696 1.80260469 H 11.28153692 8.09961819 9.74773146 -0.07157435 -0.08666079 0.08828545 H 11.27959749 6.43934019 11.34665316 -0.13553228 -0.09554408 0.03516252 Ni 9.72089366 8.07019307 11.33459791 0.59119889 0.32685988 -0.57607000 H 0.00986511 9.69393472 9.71795659 0.06600075 -0.29141385 0.34873841 H 1.59833740 11.30790571 9.72755118 0.42566233 -0.62119124 0.09300956 H 1.59549898 9.69492948 11.31783800 -0.22027670 -0.12963626 -0.11282745 H 0.01845429 11.34127777 11.34055949 0.55289410 -1.14885444 -0.44254396 Ni 3.24464832 9.69925900 9.70316509 -0.64719962 0.19081999 -0.21904337 Ni 4.87760140 11.29343507 9.67895316 -0.45010941 0.86894233 0.01609390 Ni 4.84625452 9.69713062 11.35621736 0.09159742 -0.32520049 0.15097511 H 3.20612333 11.31673510 11.31736154 0.41256051 -0.30921160 -0.30883938 Ni 6.44418899 9.67565641 9.73075972 0.46618881 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