108 Lattice="10.948451430088983 0.0 0.0 0.0 10.948451430088983 0.0 0.0 0.0 10.948451430088983" Properties=species:S:1:pos:R:3:forces:R:3 energy=-274.391028929665 stress="-0.005052004393305519 -0.00022443725236319755 -0.0007243685507809329 -0.00022443725236319755 -0.005085642983540783 0.00030149117390398044 -0.0007243685507809329 0.00030149117390398044 -0.0045375744615632815" free_energy=-274.391028929665 pbc="F F F" Ni 0.02743379 0.01729667 0.01095970 -0.44983700 -0.35540832 -0.26457862 Ni 1.81201682 1.79034930 0.00146945 0.78132013 0.89252983 -0.61870708 Ni 1.78890555 0.03066031 1.85568171 1.04768926 -0.91133447 0.43214691 Ni 0.02611743 1.82842621 1.86010068 -0.98541393 0.78223813 0.39972378 Ni 3.62328102 0.00894728 0.02799837 0.19528932 -0.39048862 -0.46940121 Ni 5.53042821 1.85564776 0.03506020 -0.26391761 0.31733399 -0.82430890 Ni 5.44427456 0.01782942 1.82602466 0.48771863 -0.55850098 0.48087865 Ni 3.67707647 1.81890946 1.80839068 -0.33086043 0.87441663 0.98425157 Ni 7.33114210 0.01656857 0.00304456 -0.72793303 -0.62150502 -0.32853763 Ni 9.09360223 1.80979154 0.02348619 0.62721448 0.65968512 -0.57062749 Ni 9.10979346 0.02951698 1.85398348 0.69929752 -0.61134442 0.24630994 Ni 7.29878147 1.84632040 1.84129122 -0.68936762 0.68862245 0.72094548 Ni 0.03367271 3.63023839 0.01394123 -0.57496486 0.01635837 -0.47291410 Ni 1.80328139 5.46902804 0.02489490 0.98589316 -0.17882622 -0.67178893 Ni 1.80823026 3.62205354 1.82372557 1.08466675 0.21358128 0.94311998 Ni 0.01819892 5.48620820 1.80807548 -0.77757507 -0.39501078 0.94264803 Ni 3.65424203 3.64256778 0.01147406 -0.29866224 -0.06428653 -0.43715902 Ni 5.43415196 5.44632081 0.00833346 0.23796400 0.22741297 -0.23252836 Ni 5.44143534 3.62139848 1.82439555 0.28527093 0.50836272 0.97956768 Ni 3.61709122 5.47731482 1.83164730 0.25375772 -0.23364577 0.76678053 Ni 7.32930929 3.69891514 0.02004870 -0.81606033 -0.17625169 -0.69693905 Ni 9.12539935 5.52223086 0.00134782 0.69869503 -0.16730339 -0.50180637 Ni 9.11086999 3.66852798 1.80032125 0.85516099 -0.29402445 0.82603328 Ni 7.33219377 5.46278610 1.80301727 -1.34981013 0.28044409 0.82538165 Ni 0.00081610 7.23867610 0.00881104 -0.57822165 0.04698509 -0.51990662 Ni 1.80747153 9.09178306 0.01371066 0.44705400 0.46042390 -0.40895100 Ni 1.79496899 7.28473551 1.84919383 1.11106834 -0.22352299 0.59339929 Ni 0.00751612 9.14608862 1.83614412 -0.49300926 0.25473841 0.36523687 Ni 3.62501690 7.30120800 0.02123730 0.11558864 -0.54679529 -0.44103112 Ni 5.47108826 9.13996971 0.01694190 0.07581696 0.25834565 -0.38263646 Ni 5.46354932 7.30899203 1.80088902 0.24236519 -0.91929472 0.73269365 Ni 3.66211786 9.15251923 1.84664273 -0.24975789 0.32612801 0.48463695 Ni 7.33429938 7.29202633 0.00907576 -0.99050319 -0.38316708 -0.46226275 Ni 9.10304555 9.13954657 0.00876827 0.26037947 0.17723539 -0.12787989 Ni 9.15803369 7.28843840 1.85551694 0.53143541 -0.28380244 0.24399997 Ni 7.30902185 9.13337667 1.85376520 -0.47740588 0.43220312 0.26588307 Ni 0.01191247 0.03563120 3.65042498 -0.68352763 -0.58698764 0.25384390 Ni 1.83809239 1.80290138 3.64216455 0.82688046 1.35964677 0.19713134 Ni 1.83118211 0.02016029 5.44813778 0.50761908 -0.66997954 0.20870529 Ni 0.02009755 1.85676427 5.47151262 -0.50967056 0.26574392 0.01701118 Ni 3.68910237 0.02734688 3.63919821 -0.26211176 -0.61999969 -0.03729239 Ni 5.50304816 1.81890535 3.68172578 -0.25457569 1.16511130 -0.34435880 Ni 5.48341051 0.02885517 5.45219150 -0.06993301 -0.68989805 0.30892932 Ni 3.64258471 1.79291038 5.44163569 0.22616976 1.25585839 0.36645901 Ni 7.33272533 0.03409918 3.62244190 -1.09164673 -0.89179766 0.11560289 Ni 9.13004641 1.78915206 3.69019401 0.60890090 1.46014761 -0.28646788 Ni 9.12039711 0.02453185 5.45301737 0.41601834 -0.66056636 0.39227114 Ni 7.29807114 1.79436168 5.45871626 -0.38590169 1.33314110 0.22083791 Ni 0.01454000 3.69261231 3.68691634 -0.27310012 -0.07677680 -0.14625345 Ni 1.81390325 5.50049113 3.63479984 1.06191347 -0.54746497 0.42179837 Ni 1.83074764 3.64177789 5.51128215 1.10984178 0.32969268 -0.39762904 Ni 0.02641031 5.49055278 5.51582725 -0.38487968 -0.30890838 -0.18365791 Ni 3.65046198 3.64625350 3.64443369 0.05215756 0.18834994 0.32857323 Ni 5.50752017 5.48046517 3.59999443 -0.38051625 -0.26931429 0.42010206 Ni 5.48606718 3.62293664 5.50985096 -0.33960936 0.40711208 -0.59958527 Ni 3.66023639 5.49852636 5.47502158 -0.03134722 -0.63618582 -0.33111185 Ni 7.30566977 3.66459916 3.61657989 -0.76771642 -0.26529986 0.46214776 Ni 9.11610821 5.47187939 3.61518943 0.50742166 -0.12716157 0.36764503 Ni 9.15226338 3.68734296 5.48221372 0.14341117 -0.25255905 -0.24810336 Ni 7.29012472 5.43950722 5.44980782 -0.87955597 0.14766980 0.20786328 Ni 0.01932954 7.29948811 3.66951297 -0.90916034 -0.58251750 -0.13643442 Ni 1.81553656 9.12320315 3.66153040 0.66725432 0.51687084 -0.17270296 Ni 1.80529901 7.31300424 5.43603316 1.36050915 -0.84498168 0.22915043 Ni 0.00092652 9.11091870 5.48753032 -0.46384207 0.60389570 -0.09083297 Ni 3.68691764 7.29308457 3.62937317 -0.23563190 -0.62233923 0.19117184 Ni 5.50309643 9.12752030 3.62925004 -0.25304557 0.26184552 0.22749131 Ni 5.44716032 7.29772368 5.48289791 0.35274705 -0.69134055 -0.15238814 Ni 3.63712284 9.15783110 5.43559253 0.23533392 0.15373193 0.11756396 Ni 7.31819503 7.29205345 3.63993530 -0.97633772 -0.75588740 0.09149963 Ni 9.15844659 9.12486297 3.62551930 0.34962243 0.31897307 0.26746573 Ni 9.11077457 7.27375440 5.47674334 0.56559326 -0.50273139 -0.23226257 Ni 7.29806593 9.11801782 5.43523175 -0.65886611 0.40254124 0.17842344 Ni 0.01498969 0.00930295 7.33101326 -0.40944473 -0.42734075 -0.77022972 Ni 1.85001363 1.81538703 7.30600917 0.49139377 0.64713354 -0.88576179 Ni 1.80288340 0.00494965 9.15479979 0.54128206 -0.42701694 0.51096268 Ni 0.00947552 1.84067805 9.09878168 -0.60054722 0.32079778 0.67066835 Ni 3.63625407 0.02488963 7.33335795 0.23500360 -0.55037185 -0.85135363 Ni 5.50436034 1.83427562 7.29652056 -0.52088910 0.58773214 -0.77429819 Ni 5.49777295 0.02458518 9.09735340 -0.27277922 -0.41011093 0.58863154 Ni 3.62647145 1.84029046 9.12860938 0.40610577 0.30646972 0.66087995 Ni 7.29327539 0.00969762 7.32058794 -0.22473540 -0.53862987 -0.78732965 Ni 9.15554524 1.84211808 7.31179310 0.37285821 0.38951191 -0.74993351 Ni 9.12634227 0.02724224 9.12676141 0.13931251 -0.14816955 0.25372881 Ni 7.27065536 1.86072805 9.13035879 -0.33222477 0.32670148 0.64052643 Ni 0.00948352 3.62111593 7.30866625 -0.45245157 0.40658819 -0.62357577 Ni 1.84730505 5.49174172 7.32224849 0.69268185 -0.43341488 -0.96835062 Ni 1.82135022 3.61585819 9.13025668 0.65738591 0.52292834 0.47623946 Ni 0.01636803 5.47207904 9.11485727 -0.52407475 -0.17868121 0.28730678 Ni 3.65997282 3.61384688 7.32180354 -0.14570874 0.24761988 -1.27371669 Ni 5.44248561 5.44747546 7.32928003 0.45201439 0.25927799 -1.26519502 Ni 5.44933545 3.66148358 9.11707199 0.17413705 -0.19867435 0.53316565 Ni 3.68047429 5.47225928 9.09094733 -0.33558312 0.13134101 0.69632399 Ni 7.31350206 3.62864321 7.29186363 -0.67819455 0.42343339 -0.68662449 Ni 9.15206236 5.47315583 7.32139229 0.23158292 -0.12587201 -0.40999103 Ni 9.10129608 3.61888591 9.14844119 0.37606130 0.31696421 0.38490213 Ni 7.26559397 5.48068980 9.13800016 -0.22890004 -0.17018597 0.28738249 Ni 0.02556896 7.30248374 7.26364425 -0.68342133 -0.52689450 -0.14146315 Ni 1.83430190 9.12042670 7.30355970 0.73747728 0.50455733 -0.49326990 Ni 1.78993579 7.27254900 9.14516215 0.98915707 -0.22458664 0.52466754 Ni 0.00645644 9.11962160 9.10549267 -0.27553688 0.21836671 0.20477907 Ni 3.63780199 7.28792964 7.26919940 0.09350228 -0.29468359 -0.34078119 Ni 5.44534383 9.14161436 7.33434008 0.15713521 0.27637758 -1.08939072 Ni 5.50164283 7.32882847 9.15300389 -0.36659838 -0.96341685 0.19958835 Ni 3.67671249 9.11200620 9.15106852 -0.34360359 0.18191753 0.33068810 Ni 7.31109901 7.27134564 7.26951745 -1.09508753 -0.60768638 -0.52893278 Ni 9.09004779 9.13268226 7.28041186 0.39788839 0.41898663 -0.37275406 Ni 9.11478343 7.32812336 9.13527032 0.37080590 -0.55408057 0.35914493 Ni 7.26798684 9.09926533 9.13259636 -0.17676894 0.62294506 0.36908588