108 Lattice="10.349622023961842 0.0 0.0 0.0 10.349622023961842 0.0 0.0 0.0 10.349622023961842" Properties=species:S:1:pos:R:3:forces:R:3 energy=-384.0331336908818 stress="-0.01979349909017597 0.001158910805192681 -0.0030603735820905753 0.001158910805192681 -0.01653459933988812 -0.001975857964998312 -0.0030603735820905753 -0.001975857964998312 -0.019181027008323536" free_energy=-384.0331336908818 pbc="F F F" Ni 0.01835743 0.00898843 0.01153346 0.59667322 0.63589066 0.38958519 Fe 1.72893480 1.75703057 0.01018402 -0.77015541 -0.22470171 -0.59154074 Ni 1.73742566 0.00113018 1.70300848 -0.16214344 -0.40753112 0.13908159 Ni 0.00397291 1.71271077 1.70315313 -0.23977634 0.31146992 0.15257992 Fe 3.45080869 0.03371417 0.00455341 -0.34851753 -0.65661720 -0.57901317 Ni 5.15058745 1.71623294 0.03194922 0.70455753 0.42219676 -0.96430590 Fe 5.13591426 0.03097062 1.70026043 0.47463297 -0.88385114 0.29512111 Ni 3.42458905 1.71892602 1.69811996 0.43411734 0.98455270 0.84353115 Ni 6.93340231 0.00664424 0.02594579 -0.55463360 0.45735014 0.31920534 Ni 8.65276434 1.70374912 0.02619632 -0.61046446 0.34048464 0.37101745 Fe 8.60041089 0.00692952 1.72034482 0.50037135 -0.19668143 0.02465491 Fe 6.86931017 1.71766939 1.75492866 0.28721580 -0.27078190 -0.93560056 Ni 0.00803282 3.47034542 0.02372913 0.18970949 -0.23504204 0.19827934 Fe 1.71743469 5.15960368 0.02292442 -0.06945386 0.12355140 -0.72891810 Fe 1.73541712 3.45312963 1.73578533 -0.21644135 0.57059552 0.35182238 Ni 0.02353100 5.19034729 1.71832138 -0.61828648 -0.29797687 0.12352683 Fe 3.48437907 3.48123927 0.01650515 -0.12092777 -0.25536729 -0.53046133 Ni 5.15371013 5.19968273 0.02417864 0.51391018 0.06686094 -0.61035070 Fe 5.20878752 3.44463455 1.69784321 -0.86447340 -0.20042189 1.17339416 Ni 3.47326745 5.20401221 1.73448969 -0.16908624 -0.75078080 0.25069480 Fe 6.91326499 3.39473687 0.02747628 0.08536181 0.31146680 -1.05685979 Ni 8.63758417 5.16988213 0.03213949 -0.50052484 -0.54645109 0.16551561 Fe 8.60632924 3.41894154 1.72660542 0.82493761 0.16217957 -0.33206253 Fe 6.87094753 5.17799223 1.70243932 0.58776431 -0.12938224 0.17323814 Ni 0.03286387 6.91993654 0.01147997 0.19782553 -0.33660598 -0.02961813 Fe 1.75311276 8.62342792 0.05009706 -0.31076192 0.19050817 -0.45946334 Ni 1.71385061 6.86311673 1.71255510 0.09484825 0.53970578 0.67879858 Fe 0.00650805 8.62665492 1.69693473 -0.15788456 -0.26159530 0.44224823 Fe 3.43408304 6.91712753 0.03305315 0.38207283 -0.18944316 -0.79929993 Ni 5.15276924 8.63217179 0.03482400 0.18887479 -0.54538594 0.06375380 Fe 5.18129248 6.91285965 1.75928316 0.13263586 0.08770518 -0.75641313 Ni 3.44700284 8.61441501 1.71716784 0.43274266 0.43351394 0.59111800 Ni 6.92270089 6.87221223 0.00314579 -0.39345765 0.34317503 -0.33368655 Ni 8.59898135 8.62371836 0.00953711 -0.46355819 -0.55860880 0.41322847 Ni 8.61150330 6.86215472 1.69638105 0.37307656 0.32643571 0.67975970 Ni 6.88101901 8.61471045 1.69100968 0.26735615 0.28883993 0.33318505 Ni 0.05908785 0.03009771 3.47122092 -0.13488834 0.01906539 -0.42538317 Ni 1.72455284 1.76863664 3.39993999 0.41026623 -0.51027309 0.60158014 Ni 1.71735275 0.01392303 5.14338340 0.57377296 -0.20225905 0.29601850 Ni 0.01976817 1.73955264 5.15664269 -0.33480087 0.20826810 0.28852407 Ni 3.47498074 0.02125833 3.44306555 -0.45830552 -0.36413421 0.11087170 Ni 5.19299235 1.70089835 3.48065142 -0.34505813 0.73752182 -0.73898836 Ni 5.19072487 0.02696623 5.19116897 0.20070631 -0.77843730 0.02416342 Ni 3.47918882 1.70849292 5.19687455 -0.70927654 0.34808949 -0.13341835 Fe 6.90885379 0.01470804 3.41591986 -0.55463457 -0.98017231 0.38363121 Fe 8.60592576 1.71322969 3.47238474 1.11843945 0.10985206 -0.32366336 Fe 8.65410013 0.01203590 5.14494816 0.21469961 -0.40718632 0.30128333 Ni 6.92698908 1.69116294 5.17036618 -0.65251331 0.61099913 0.43685199 Ni 0.00857400 3.47223680 3.47115309 -0.62066820 -0.35082347 -0.68835349 Ni 1.70101978 5.17124951 3.47464522 0.76658788 0.37770885 -0.66567642 Fe 1.74519852 3.45033828 5.14006268 -0.26572774 -0.70473111 0.52343318 Fe 0.02150121 5.16760713 5.15957569 -0.95999759 0.13773547 0.41177545 Ni 3.46577985 3.48324441 3.47586059 0.37453511 -0.67997739 -0.90006643 Fe 5.20045028 5.16628257 3.47870936 -0.21665960 -0.31226951 -0.28469741 Fe 5.18155518 3.41951349 5.19108936 -0.02796970 0.12683674 -0.42763616 Ni 3.42723569 5.15787200 5.14090034 0.67249792 0.60631413 0.79445153 Ni 6.92465120 3.42411852 3.43173601 -0.85227323 0.63916314 0.31894756 Fe 8.64924294 5.14995079 3.47169517 0.17436247 0.50628425 -0.15469640 Fe 8.62381197 3.44096286 5.14067006 0.29290466 -0.07418013 0.52317584 Ni 6.88552735 5.14217315 5.18290678 0.23662809 0.67514926 -0.42414852 Ni 0.01225248 6.89081087 3.46588713 -0.43734563 0.29683902 -0.41689442 Fe 1.75368719 8.60084027 3.42968795 -0.24526177 0.34663376 -0.16453082 Ni 1.69502647 6.93321753 5.20839606 1.60556976 -0.57133442 -0.57868581 Fe 0.02482333 8.59244165 5.18239796 -0.70459409 0.85919310 -0.16805766 Fe 3.44179162 6.89119617 3.43020937 -0.32351686 -0.06906791 0.35657589 Ni 5.19020624 8.61650051 3.45036583 -0.23091338 0.34420468 0.20508109 Fe 5.16357537 6.88732679 5.16863658 0.40763825 -0.10785835 0.10292285 Fe 3.48115400 8.61227201 5.19429042 -0.51567228 0.59478167 -0.60934237 Fe 6.90123848 6.90664655 3.42387424 0.29283701 -0.07342468 0.45662850 Fe 8.59415914 8.63598467 3.44475763 0.17615971 -0.03028321 -0.49656656 Ni 8.62801189 6.91692072 5.16003154 0.39557938 -0.40766639 -0.15651628 Ni 6.92235631 8.59249139 5.17009906 -0.54819454 0.44447920 0.07828077 Ni 0.03132327 0.01871739 6.85441366 0.13677033 0.13599809 0.31504830 Fe 1.69715534 1.71495733 6.89982706 0.29684808 -0.16476184 -0.45815618 Fe 1.71540116 0.02049023 8.64657859 -0.26570694 0.01078205 -0.32103698 Ni 0.00335944 1.74641163 8.63380416 0.05193913 -0.34842346 -0.45105045 Ni 3.48199482 0.00457277 6.91217287 -0.93237374 -0.37457627 -0.10955858 Fe 5.18015554 1.70842596 6.93214236 0.26434012 0.25328960 -1.02191031 Fe 5.17018001 0.00046861 8.61700567 0.30863422 -0.39442647 0.56252814 Fe 3.47845077 1.70017939 8.63171016 -0.44410412 0.15332192 0.66363605 Fe 6.88741760 0.02522367 6.92783699 0.41485828 -0.84512139 0.00703202 Fe 8.60118593 1.72508684 6.90551060 0.48252459 -0.00551516 0.24509591 Ni 8.63832516 0.02326197 8.61644740 -0.66088724 0.60668222 -0.62717660 Ni 6.87067232 1.74855564 8.61877351 0.49688794 0.05811210 0.51711646 Ni 0.01668713 3.47519818 6.92947894 -0.61437983 -0.49947201 -0.87410705 Ni 1.70029879 5.15644451 6.87575343 0.92938907 0.46644427 0.62088553 Fe 1.68078295 3.42396824 8.62141228 0.69755772 0.31198827 0.70554233 Ni 0.01463708 5.14625360 8.62875789 0.31892844 0.72548685 -0.26191040 Fe 3.44592011 3.43299834 6.87873039 -0.15499456 0.69731009 -0.18634190 Ni 5.19722712 5.18433952 6.90126756 -0.48840077 -0.31417320 -0.32722835 Fe 5.14050936 3.44657708 8.59068683 0.74134490 0.49361423 0.53515067 Fe 3.45104660 5.20208263 8.62166235 -0.40594661 -0.27201248 0.36922141 Ni 6.87769489 3.45148425 6.85954637 0.56503727 -0.28008306 0.74939319 Fe 8.59240959 5.18718571 6.89521131 0.60751814 -0.21086715 -0.47476474 Fe 8.64728639 3.44106803 8.61199170 -0.29453136 -0.09731886 0.05262436 Ni 6.94119693 5.17822720 8.65170984 -0.67747294 -0.40381341 -0.03538737 Fe 0.01038402 6.92940922 6.86848571 -0.85533973 -0.86160412 0.88137369 Fe 1.77373900 8.63382343 6.92522299 -0.18665385 0.78375781 -0.20288962 Fe 1.73057902 6.92402209 8.65669963 -0.37212119 -0.89030679 0.33268420 Fe 0.00549761 8.59523135 8.61807621 -0.01691337 0.06450348 -0.01129570 Fe 3.47727502 6.88149219 6.90432330 -0.53548615 -0.56952186 -0.58976511 Ni 5.14050305 8.63081837 6.87718387 0.93549224 -0.07443495 0.69702236 Fe 5.19128643 6.86615437 8.59459807 0.65132460 0.72681483 0.66088953 Fe 3.42938047 8.63354376 8.62733785 0.41078855 0.23497173 0.25811380 Fe 6.92020399 6.90172996 6.86773785 -0.33880525 0.47284744 0.37554173 Ni 8.62734442 8.64408368 6.87096157 -0.51632933 -0.59196586 0.33570421 Fe 8.60794398 6.87982941 8.59616568 0.34678091 0.65268363 0.01569176 Ni 6.93198930 8.59954970 8.65680680 -0.36956763 -0.66450761 -0.87033719