108 Lattice="10.41089761666513 0.0 0.0 0.0 10.41089761666513 0.0 0.0 0.0 10.41089761666513" Properties=species:S:1:pos:R:3:forces:R:3 energy=-397.35305300780215 stress="-0.013864442807612795 -0.0006993022606300432 0.0009181368977456108 -0.0006993022606300432 -0.012876398517521186 -0.0008117366567764156 0.0009181368977456108 -0.0008117366567764156 -0.012776682801397016" free_energy=-397.35305300780215 pbc="F F F" Ni 0.02956307 0.00927509 0.02082024 0.20754889 -0.06351067 0.16322578 Ni 1.70896202 1.73487128 0.01967440 0.63741595 0.29621664 -0.44419362 Ni 1.76447946 0.00323641 1.76419060 -0.22760115 -0.36456625 -0.09624899 Ni 0.01870029 1.71484711 1.72229323 -0.52428080 0.21382223 0.57446346 Ni 3.44669843 0.03208410 0.02513473 -0.07263267 -0.10542556 -0.14082072 Ni 5.19088710 1.73705577 0.03087787 0.40321340 0.14626567 -0.50374895 Ni 5.21634021 0.03153091 1.71961750 -0.22523381 -0.32108770 0.52430823 Ni 3.43872733 1.78404354 1.73871000 0.32859643 -0.59400857 0.30697848 Ni 6.95140391 0.03304813 0.02069008 -0.39059641 -0.15501406 -0.28233955 Ni 8.68093763 1.73025006 0.02841979 0.08781309 0.68697780 -0.14424630 Ni 8.64630631 0.02928086 1.73729413 0.50100061 -0.36451593 0.33265230 Ni 6.96334629 1.74125587 1.75622572 -0.47188952 0.40134733 -0.29433054 Ni 0.02840340 3.46586420 0.02073151 -0.43286690 -0.10260077 -0.18230783 Ni 1.72979066 5.18084916 0.00324944 0.59081572 0.18886559 -0.22635178 Ni 1.70334878 3.45034021 1.76273160 0.44328677 0.25324331 -0.20232149 Ni 0.01718657 5.22004193 1.72977697 -0.28342895 -0.15802187 0.46895791 Ni 3.50189179 3.45084775 0.03091197 -0.67098434 0.34460571 -0.53431516 Ni 5.23952263 5.18430201 0.02713712 -0.44190172 0.59055039 -0.45856525 Ni 5.21332495 3.46954562 1.70612391 0.11179591 0.01802592 0.88650390 Ni 3.44320944 5.22361429 1.75606576 0.38909853 -0.29068915 -0.50923363 Ni 6.93244803 3.49723813 0.01003802 0.25875293 -0.61227929 -0.21174781 Ni 8.69563016 5.17428723 0.02918166 0.01106882 0.27419422 -0.18099583 Ni 8.68304410 3.48133976 1.76896573 0.11583242 -0.10754945 -0.15888958 Ni 6.94609099 5.23878037 1.73283388 0.09785081 -0.44614742 0.55796102 Ni 0.02828461 6.92871565 0.03214477 -0.21615855 -0.08635111 -0.39579741 Ni 1.75834620 8.67054326 0.01753875 0.16936316 0.19679047 -0.40911701 Ni 1.75634011 6.94829390 1.70695833 -0.07568920 -0.11787385 0.63319810 Ni 0.02293286 8.69571140 1.70242487 -0.07901798 -0.08029421 0.55066085 Ni 3.50226381 6.96787771 0.02091821 -0.19020202 -0.66671212 -0.35414472 Ni 5.19846309 8.67684216 0.01796185 0.27209719 0.20071941 -0.03083690 Ni 5.23360672 6.93307784 1.73626253 -0.22424388 0.29620861 0.25381413 Ni 3.45073972 8.69678641 1.73768581 0.22681712 0.20119241 0.40420988 Ni 6.95676587 6.95814104 0.03397009 -0.27320751 -0.44694074 -0.76199432 Ni 8.68441770 8.66311712 0.01243315 -0.00298066 -0.13016131 0.09136142 Ni 8.67637575 6.92587546 1.72238121 0.39615971 -0.07844989 0.70348705 Ni 6.97050112 8.67736548 1.70756206 -0.38074356 0.28805871 0.77170878 Ni 0.01212816 0.01466772 3.48291181 -0.18473105 -0.21178742 -0.27645402 Ni 1.74244054 1.71147254 3.47275596 -0.13515938 0.35558772 -0.31842488 Ni 1.75299294 0.00656039 5.18008877 -0.14480216 -0.56077772 0.46850649 Ni 0.03092496 1.74375209 5.18747860 -0.59438712 0.00211112 0.32522643 Ni 3.44353294 0.02008111 3.47316614 0.79269492 -0.40973016 -0.27091250 Ni 5.23595043 1.75848742 3.47134765 -0.62774765 -0.33209088 -0.20641699 Ni 5.20011279 0.00865772 5.23359516 0.26197716 -0.35213555 -0.42859121 Ni 3.45202144 1.70767555 5.19395771 0.53146902 0.59321217 0.14336333 Ni 6.95193242 0.00703975 3.44986417 -0.33343411 -0.31471576 0.32034163 Ni 8.66809476 1.76344340 3.46292228 0.39315350 -0.29987317 0.22110671 Ni 8.64354732 0.03130020 5.25801974 0.23824346 -0.20780429 -0.36222317 Ni 6.91106572 1.71635967 5.20080586 0.09586430 0.28705855 0.41209868 Ni 0.01671422 3.44134911 3.47586071 -0.41103294 0.36740877 -0.12095573 Ni 1.76954917 5.21095172 3.44544479 -0.67908864 0.18749815 0.24241826 Ni 1.76096332 3.42383400 5.17116397 -0.33130079 0.61736091 0.49752014 Ni 0.03154957 5.23235389 5.22417605 -0.21319860 -0.46052004 -0.34780771 Ni 3.43977086 3.45848287 3.47734537 0.60078616 -0.07175130 -0.30917735 Ni 5.17762838 5.21485663 3.46368077 0.44291914 -0.28977223 -0.10138034 Ni 5.23377680 3.48626996 5.20700364 -0.36365357 -0.16832371 0.12855874 Ni 3.44074406 5.19503593 5.17687491 0.20247670 0.40128348 0.41704047 Ni 6.92295301 3.44605954 3.47196663 0.11648417 0.53628290 -0.23909571 Ni 8.68859246 5.17321579 3.49838184 0.19189851 0.15593600 -0.37795711 Ni 8.64181450 3.42327565 5.21332975 0.35428549 0.25214198 0.13401706 Ni 6.97277437 5.18405014 5.19150664 -0.75541151 0.28708298 0.19034634 Ni 0.00720531 6.93165868 3.47961216 -0.21972651 -0.06692978 -0.43790004 Ni 1.71472568 8.66779762 3.47181219 0.38642116 0.22834156 -0.41076683 Ni 1.72936144 6.95107018 5.20233144 0.41587921 -0.24210327 0.11884803 Ni 0.02385683 8.67542393 5.18551696 -0.12289456 0.08048056 0.53503641 Ni 3.49602363 6.94716813 3.46136019 -0.46309065 0.33943737 -0.04417077 Ni 5.20739013 8.70751675 3.47296931 0.01832528 0.13773591 -0.20155070 Ni 5.20547866 6.95407360 5.17221499 -0.19973967 -0.24464419 0.51529844 Ni 3.40618945 8.69871828 5.22105901 0.41278791 0.14306805 -0.20495604 Ni 6.92786535 6.93486366 3.50318600 0.24990453 0.11663002 -0.70319754 Ni 8.69891058 8.68948037 3.46743090 -0.21435221 -0.19299556 -0.14858328 Ni 8.67440369 6.91213384 5.17768574 0.22650987 0.43487438 0.39127985 Ni 6.93047907 8.66801752 5.21202147 0.26734239 0.24376021 0.07858966 Ni 0.01382447 0.02159448 6.93258362 -0.08827615 -0.20214052 -0.43961480 Ni 1.72706927 1.73485658 6.90671483 0.43953523 0.13366263 0.32489912 Ni 1.72086071 0.03425525 8.68058987 0.48847293 -0.44030388 -0.10556339 Ni 0.02291560 1.70275923 8.68027736 -0.33948207 0.68953258 -0.02310477 Ni 3.49351939 0.02400124 6.91530701 -0.50771976 -0.58520115 0.36712476 Ni 5.17677214 1.74090729 6.95192132 0.46953523 0.37924419 -0.15181942 Ni 5.24567405 0.03754668 8.68111484 -0.11993885 -0.19622613 0.13433451 Ni 3.45493533 1.70065943 8.67868693 -0.03926968 0.71847605 0.12879268 Ni 6.94261797 0.00586631 6.96070070 -0.21701372 -0.26732562 -0.13978755 Ni 8.66776521 1.74582586 6.93169607 0.25581760 0.28394140 0.19194066 Ni 8.70455242 0.01897523 8.67992508 -0.34281123 0.31410171 -0.42435258 Ni 6.97034697 1.74098080 8.65168547 -0.27597786 0.29865928 0.42831322 Ni 0.03277802 3.48782989 6.93706147 -0.60640506 -0.44572420 -0.44661467 Ni 1.74529971 5.17696111 6.94425137 0.21304110 0.60286219 -0.20670607 Ni 1.70201915 3.45962212 8.64979267 0.90571055 -0.36617943 0.49040566 Ni 0.02475959 5.17175213 8.68781282 -0.19361174 0.48707987 0.03111786 Ni 3.48457601 3.50337429 6.91719831 -0.17656867 -0.66862194 0.26755236 Ni 5.16769611 5.23971224 6.94764376 0.39992749 -0.14342034 -0.27843695 Ni 5.21957489 3.46557060 8.70635167 -0.28415010 -0.12239218 0.08719777 Ni 3.45920837 5.21947288 8.66424286 -0.16083546 -0.15118883 0.47025080 Ni 6.91783508 3.50148967 6.96811635 -0.02273188 -0.46509877 -0.42686290 Ni 8.64231152 5.22250415 6.91458012 0.54861763 -0.22669950 0.06842156 Ni 8.67016658 3.48840360 8.68420000 0.12544932 -0.12835778 -0.12129258 Ni 6.93744854 5.19302097 8.67183878 -0.34712483 0.32696838 0.41180486 Ni 0.03299722 6.92264923 6.93312165 -0.34879091 0.01806231 0.13751415 Ni 1.75278658 8.65870213 6.97397058 -0.05240009 0.43958549 -0.38049159 Ni 1.72304786 6.95041499 8.69949542 0.29962242 -0.31226994 0.21514755 Ni 0.01673719 8.68373294 8.64109444 0.02500525 -0.19990519 -0.14878667 Ni 3.46354091 6.96611468 6.96211937 -0.20137757 -0.47625409 -0.45348505 Ni 5.19045812 8.65751922 6.90609488 0.14763253 0.33880734 0.13959735 Ni 5.18660137 6.94523079 8.69183590 0.29950426 -0.22522155 0.26498452 Ni 3.50046068 8.67835214 8.68191735 -0.24549615 0.16166327 0.13049068 Ni 6.90893769 6.92376895 6.95576509 0.03930836 0.20350655 -0.42621327 Ni 8.67258926 8.67047244 6.96634127 -0.21164734 -0.14728191 -0.45862668 Ni 8.64308747 6.92772656 8.65357823 0.10686808 -0.19652958 0.24523690 Ni 6.91233357 8.67754180 8.70239781 -0.25295844 -0.07603294 -0.23338667