108 Lattice="10.410897715939292 0.0 0.0 0.0 10.410897715939292 0.0 0.0 0.0 10.410897715939292" Properties=species:S:1:pos:R:3:forces:R:3 energy=-397.41154615855737 stress="-7.5412085471928485 -1.4707402861857943 0.5076918409607036 -1.4707402861857943 -6.484789214268897 0.11252146055180035 0.5076918409607036 0.11252146055180035 -5.801699458125125" pbc="F F F" Ni -0.00760947 -0.00880592 0.00824399 0.30057466 0.38202858 0.50174043 Ni 1.70169531 1.73038250 0.00750976 0.14488266 0.12106986 -0.24920056 Ni 1.76696791 -0.00120846 1.70756232 -0.45012981 -0.32347314 0.45499977 Ni -0.00643667 1.76741236 1.75350088 -0.21724927 -0.32921610 -0.30657409 Ni 3.45088959 0.02640988 0.00954808 0.13020892 -0.13591570 -0.25764644 Ni 5.17817098 1.74422975 0.02396918 0.39393744 -0.04167920 -0.19525435 Ni 5.23485897 -0.03245891 1.73170416 -0.23916809 0.07108532 0.06359346 Ni 3.43578818 1.73142263 1.74184558 0.33871887 0.16911376 -0.07576660 Ni 6.97417662 -0.03201339 0.00621732 -0.40040638 0.25708165 0.08800271 Ni 8.65790472 1.74291452 -0.01385495 0.30078657 -0.02135070 0.09748621 Ni 8.69603974 -0.01221751 1.74958438 -0.19495761 0.24054550 0.24069867 Ni 6.94828888 1.76252610 1.72057559 -0.15470792 -0.74732495 0.56625398 Ni 0.02036220 3.47712857 0.02622094 -0.15433809 -0.08631387 -0.21627779 Ni 1.71833912 5.22975610 -0.02608370 0.13518667 -0.09691346 -0.01227563 Ni 1.75087058 3.49779579 1.74416613 -0.35870594 -0.35017973 -0.10349312 Ni -0.01693312 5.21049059 1.72275433 0.05013750 0.30288797 0.35113538 Ni 3.41570714 3.43456282 -0.02435468 0.26820535 0.28614450 -0.10205656 Ni 5.18305510 5.22324056 -0.00378543 0.13415134 -0.46491546 -0.21045903 Ni 5.23101796 3.48467581 1.74234733 -0.47240364 -0.13526264 -0.33000108 Ni 3.44095389 5.17551088 1.72701217 0.31859684 0.45609090 0.09274032 Ni 6.96382012 3.43833583 0.03061997 -0.73128202 0.60569453 -0.66677470 Ni 8.64117619 5.20733469 -0.01116332 0.23681103 0.05486205 0.12789474 Ni 8.64215979 3.48332320 1.73817222 0.61290378 -0.06165123 0.21636583 Ni 6.91657515 5.22911661 1.76909499 0.30342098 -0.20931475 -0.48127487 Ni 0.01877960 6.96466072 -0.00123078 -0.16090932 -0.31921870 0.17488802 Ni 1.72166503 8.66030981 0.00300327 0.38637671 0.19138813 -0.04924858 Ni 1.76554007 6.97127265 1.76937887 -0.55945232 -0.86095476 -0.47020149 Ni -0.00786708 8.70937355 1.74266278 0.08919665 -0.13067219 0.15973018 Ni 3.44107373 6.91155217 -0.00983528 0.09502754 0.11568908 -0.14801610 Ni 5.21817471 8.61508264 -0.01772799 -0.04645521 0.07019229 -0.11156804 Ni 5.22756720 6.92568727 1.73004480 -0.32948212 0.19027824 0.14431265 Ni 3.46346465 8.64125443 1.71751625 0.32155623 0.65442658 0.06708476 Ni 6.93899038 6.89289354 -0.00609596 0.02698114 0.39856465 -0.17107689 Ni 8.70208739 8.64584429 -0.00563081 -0.41634526 -0.47755518 0.28353956 Ni 8.66646950 6.94173392 1.75639853 0.08218150 -0.15113487 -0.16270800 Ni 6.94740471 8.70555552 1.70223299 -0.21690468 -0.11833903 0.39779647 Ni 0.03183419 0.01208343 3.44404831 -0.02829221 -0.12299361 0.06758952 Ni 1.70648144 1.74658872 3.44861485 0.57643629 -0.13073237 0.26064784 Ni 1.76228873 -0.01100691 5.23974156 -0.05521603 -0.12722816 -0.26623223 Ni 0.02079257 1.76614205 5.21045706 -0.48962482 -0.41409278 0.05176138 Ni 3.46498124 0.00217367 3.46941686 -0.19391742 -0.24557163 -0.27169707 Ni 5.17930827 1.74723542 3.44704360 0.62660685 -0.31016278 -0.09408747 Ni 5.16949285 -0.01384748 5.19187019 0.36183851 -0.24525280 0.24519406 Ni 3.49416280 1.72924424 5.18707404 -0.54814264 0.10126610 0.22317548 Ni 6.91983671 -0.01819223 3.47629537 0.09757846 0.09627688 -0.14139656 Ni 8.70207006 1.74080536 3.47789581 -0.20266627 -0.08289158 -0.24909329 Ni 8.65332277 0.01384331 5.21733035 0.04420819 -0.17451237 -0.00971459 Ni 6.89408919 1.70535105 5.23249918 0.42988771 0.27447652 -0.37293512 Ni -0.00566053 3.45986545 3.44726602 -0.30537229 0.33694919 0.24678264 Ni 1.73103066 5.18022301 3.49703482 0.21660122 0.36008336 -0.41880409 Ni 1.72151758 3.44198765 5.22451596 0.41926234 0.33668198 -0.29043930 Ni 0.02783167 5.23489411 5.19415350 -0.46078778 -0.42317714 -0.05785540 Ni 3.48176518 3.44126519 3.45524458 -0.27538493 0.37371000 0.28393900 Ni 5.21164667 5.19046692 3.47806723 -0.37789880 0.24913514 0.14246728 Ni 5.23060358 3.44545640 5.21911691 -0.20989746 0.45480819 -0.34084337 Ni 3.45148701 5.22996785 5.21837364 0.41433749 -0.35845855 -0.28009412 Ni 6.92841793 3.49435415 3.45956379 0.17756068 -0.49534779 0.31073262 Ni 8.68349128 5.21057018 3.44867559 0.14476801 0.14233752 0.41259693 Ni 8.66425803 3.43707402 5.17763378 0.01247791 0.14837061 0.38451408 Ni 6.94801044 5.23521586 5.22971546 -0.31333805 -0.21572355 -0.32674801 Ni 0.03265576 6.96475088 3.46537511 -0.50847798 -0.42185348 -0.02838305 Ni 1.72899320 8.64849395 3.46836817 0.39950182 0.75678486 0.12303550 Ni 1.75989869 6.93238389 5.21565155 0.11638190 0.31348181 -0.21191117 Ni 0.03118894 8.67710300 5.23039717 -0.10652603 0.00688611 0.00344996 Ni 3.49021477 6.96092984 3.44093530 -0.17179079 -0.57807601 0.25383760 Ni 5.18600991 8.69177700 3.49125991 0.36580296 0.26173995 -0.69312878 Ni 5.16748773 6.95650733 5.20159774 0.57463798 -0.24764055 0.38146186 Ni 3.48134756 8.68868298 5.17868934 -0.32935959 0.20791021 0.38072596 Ni 6.90640601 6.93123675 3.48444928 0.20927909 0.20231066 -0.12528984 Ni 8.65260133 8.64438388 3.48356062 0.14126376 0.14527187 -0.23621347 Ni 8.66731104 6.94797588 5.23886978 0.30367248 -0.04977745 -0.28956967 Ni 6.92822747 8.68482885 5.17415205 -0.18536330 0.10156917 0.71675102 Ni -0.01492567 -0.01890579 6.94104382 0.16758761 0.16992737 -0.18436953 Ni 1.73727872 1.71493874 6.92569795 0.09505221 0.23374636 0.48951167 Ni 1.73651038 -0.01479388 8.70600539 0.25647979 0.20544078 -0.28934823 Ni -0.01874221 1.71556117 8.69252613 0.19362693 0.31943054 -0.25958424 Ni 3.49751712 0.01881398 6.96130836 -0.44657651 -0.31156275 -0.31387485 Ni 5.18865860 1.76901702 6.93330868 0.23701981 -0.40480594 0.32637504 Ni 5.18422321 -0.01193107 8.65210108 0.32320644 0.06933854 0.28348161 Ni 3.47449848 1.75055175 8.67247178 -0.29485562 0.18928664 0.24474031 Ni 6.93107053 0.00853484 6.95974145 -0.48593252 -0.44349512 -0.46687988 Ni 8.67445634 1.70248712 6.94112817 0.15761089 0.79506706 -0.16521264 Ni 8.66496010 -0.00890978 8.64374681 -0.08054045 0.06678043 -0.04199434 Ni 6.94643046 1.71560013 8.66903832 -0.45051926 0.45531473 0.26975636 Ni 0.03250814 3.49735925 6.94883928 -0.39003713 -0.25972171 -0.16572609 Ni 1.75868972 5.23817801 6.92041762 -0.07409979 -0.50346161 0.37103221 Ni 1.70490726 3.47908354 8.70368984 0.70852341 -0.34168823 -0.05304084 Ni 0.01628197 5.17249354 8.69116617 -0.16896668 0.59819273 -0.00553236 Ni 3.47107006 3.47795510 6.90778371 -0.39207831 -0.13289984 0.36370244 Ni 5.22369681 5.17341449 6.95715884 -0.14710623 0.72898694 -0.41736067 Ni 5.17765061 3.49817228 8.66740098 0.48473479 -0.47823264 0.48828397 Ni 3.48572245 5.19840051 8.68591288 -0.29985364 0.12338292 0.19618302 Ni 6.91749921 3.48366311 6.94942922 0.54286945 -0.60699614 -0.10300305 Ni 8.64466697 5.20088119 6.91064535 0.73934882 -0.19538582 0.20788765 Ni 8.66329018 3.46811733 8.70440566 0.05354484 -0.25208530 -0.24986712 Ni 6.97283330 5.20456485 8.65189843 -0.34061799 0.12312129 0.59156468 Ni 0.00656100 6.90376028 6.91116512 -0.22758709 0.33801748 0.49024478 Ni 1.77300933 8.66445245 6.91523779 -0.33938663 0.08942152 0.24224033 Ni 1.74975776 6.91110908 8.66653951 -0.30624761 0.03082461 0.22404907 Ni -0.02824694 8.64918074 8.71043820 0.76399098 -0.61098990 -0.77286267 Ni 3.50540826 6.92479785 6.96974130 -0.24826417 0.06679777 -0.30667844 Ni 5.17352653 8.68504708 6.96312964 0.40130693 0.20672269 -0.26175167 Ni 5.24707286 6.93883687 8.66832567 -0.25604593 -0.17187084 0.38305022 Ni 3.41267610 8.65850091 8.67203614 0.28948955 0.08645505 0.30613728 Ni 6.97002498 6.94501510 6.96673549 -0.65411385 0.29506631 -0.46454609 Ni 8.69009835 8.68265632 6.95964215 -0.16541473 0.15318689 -0.38992249 Ni 8.69285240 6.95918741 8.66850003 0.06782413 -0.41919073 0.07678297 Ni 6.94422741 8.67799580 8.70568194 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