256 Lattice="13.938007737373601 0.0 0.0 0.0 13.938007737373601 0.0 0.0 0.0 13.938007737373601" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1318.7805329122282 stress="-0.008056872599602754 -0.00013057094383484965 -6.512812893091539e-05 -0.00013057094383484965 -0.008076852735096106 6.147149096084116e-05 -6.512812893091539e-05 6.147149096084116e-05 -0.008220773745018903" free_energy=-1318.7805329122282 pbc="F F F" Ni 0.00371237 0.01375477 0.00486883 0.19054602 0.11517138 0.12167628 Ni 1.74597536 1.74432118 0.02220540 -0.13904478 -0.08096647 -0.17955657 Ni 1.76929808 0.03311550 1.71707924 -0.21434373 -0.18083666 0.28861597 Ni 0.05713517 1.71711140 1.73741539 -0.28193153 0.13391885 0.02593991 Ni 3.45882148 0.01137083 0.03244908 0.11984884 0.13239574 -0.05974373 Ni 5.21517767 1.72893322 0.01559572 -0.00428424 -0.04749031 -0.09145217 Ni 5.19963413 0.03221416 1.69522596 0.26830007 -0.17418207 0.25834912 Ni 3.50845361 1.73523829 1.75078531 -0.10792299 -0.10682119 -0.10275851 Ni 6.94246240 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6.96467334 0.04948001 0.09237138 0.05868047 -0.04016596 Ni 5.23153476 8.67706561 0.03134877 -0.21447281 0.21047941 -0.11480123 Ni 5.25343906 6.98801638 1.75567445 -0.44173059 -0.39124060 -0.33873359 Ni 3.47549904 8.71512105 1.76132794 0.28680440 -0.26582568 -0.46726142 Ni 6.93454467 6.96997073 0.03039402 0.41860259 -0.05671296 -0.16816842 Ni 8.72015263 8.70413105 0.03691051 -0.11788088 0.13265011 -0.22687077 Ni 8.73528951 7.00081553 1.72882992 -0.26714144 -0.39254901 -0.24047212 Ni 6.95666556 8.69042685 1.71702497 0.22336036 0.24795737 -0.15016667 Ni 10.47553954 6.98138631 0.00513948 0.04606052 -0.12462461 -0.04311654 Ni 12.17213400 8.71134395 0.02429006 -0.12383113 0.10906836 0.11846085 Ni 12.21393484 6.97665073 1.70460415 -0.09059069 0.03361032 0.09508778 Ni 10.42295793 8.69220389 1.73110446 0.67802669 0.23686030 -0.06285646 Ni 0.00311715 10.45042110 0.01355218 0.17484637 0.17767748 0.16715495 Ni 1.74718249 12.21022504 0.00137192 -0.03413009 -0.26812444 0.26737047 Ni 1.76389040 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0.00680640 0.02535053 3.50219932 0.33085221 0.22023825 0.03666687 Ni 1.74800848 1.77451294 3.50783022 -0.21210031 -0.56780184 -0.11139193 Ni 1.76882939 0.00845712 5.22190401 -0.19881036 0.00073122 0.09344114 Ni 0.03195055 1.72847684 5.26157489 -0.14081525 0.07169335 -0.35252969 Ni 3.51471277 0.03701118 3.51786195 -0.26042382 -0.23765234 -0.23990990 Ni 5.19620002 1.69278060 3.52257087 0.60603345 0.22655200 -0.26718360 Ni 5.20663764 0.03674625 5.26541236 0.26472606 -0.13035331 0.01890360 Ni 3.47405660 1.74343916 5.23671065 0.19896928 -0.25892432 -0.01795505 Ni 6.97675270 0.02324956 3.52089145 -0.12069350 0.07092708 -0.17363750 Ni 8.74017793 1.70831279 3.48402723 -0.32361545 0.00697927 0.24959358 Ni 8.69706232 0.00166735 5.27440568 0.11822833 0.10678402 -0.17672700 Ni 7.00032296 1.74906546 5.23530754 -0.23025861 -0.42970357 0.01493135 Ni 10.44427900 0.03893314 3.48510684 0.41718101 -0.15432417 0.25189618 Ni 12.19585276 1.74194073 3.48284241 -0.14135414 -0.14552432 0.01949505 Ni 12.16928114 0.02697733 5.24985089 -0.13797684 0.24436832 -0.07936515 Ni 10.44492680 1.77222123 5.25329450 0.36530761 -0.45956132 -0.27484389 Ni 0.01345352 3.51691484 3.51001908 0.02619297 -0.23304526 -0.40037231 Ni 1.72697333 5.25952754 3.49962076 -0.25192116 -0.35555745 -0.20797910 Ni 1.72581587 3.48319586 5.19754786 -0.14931650 0.25075412 0.32376668 Ni 0.02746990 5.19347189 5.20384866 -0.05921516 0.36757281 0.43450703 Ni 3.51578953 3.50973551 3.50017659 -0.24456253 -0.31402163 -0.09979939 Ni 5.23184223 5.20528856 3.45586587 0.22774520 0.46863286 0.29872771 Ni 5.23411562 3.51811707 5.20982970 0.08205700 -0.33097439 0.28258413 Ni 3.49332193 5.19340528 5.19944446 -0.09603316 0.22920002 0.36875414 Ni 6.98797343 3.50260503 3.50524029 -0.14201088 -0.39510340 -0.20591270 Ni 8.68060648 5.22922169 3.47023293 0.39708247 0.16798941 0.33056459 Ni 8.72967415 3.47783605 5.25065132 -0.16038985 0.16389028 -0.26287455 Ni 6.97967245 5.21029574 5.22527897 -0.11303339 0.30412446 0.08738425 Ni 10.46306790 3.50919983 3.45839323 0.43732479 -0.15140608 0.45509352 Ni 12.21312313 5.25746131 3.47024797 -0.15047617 -0.09054083 0.24740895 Ni 12.17908268 3.45817026 5.25773629 0.07896532 0.26518502 -0.35465174 Ni 10.46521259 5.19895123 5.23586202 0.17501267 0.39610023 -0.23911880 Ni 0.03301248 6.93740884 3.47842968 -0.09414625 0.37882371 0.11464989 Ni 1.77579635 8.73377144 3.49958131 -0.74435555 -0.32024109 -0.03256028 Ni 1.74579353 6.99128145 5.22686866 -0.38095116 -0.17076133 0.06160874 Ni 0.03493253 8.74341708 5.25117330 -0.14453489 -0.48484922 -0.21141363 Ni 3.47105907 6.93670144 3.50766971 0.24312869 0.30687514 -0.16201197 Ni 5.22271306 8.68586444 3.48275648 -0.01055364 0.10103618 0.17607416 Ni 5.19870580 6.95029647 5.23095114 0.49026758 0.11615025 -0.19044515 Ni 3.50068088 8.74594802 5.20332219 -0.08761677 -0.43831290 0.27199860 Ni 6.98232662 6.99878025 3.46207103 -0.05941654 -0.29465383 0.42590421 Ni 8.68427952 8.73520725 3.51383131 0.31949327 -0.30475480 -0.20296533 Ni 8.69023697 6.98139576 5.25727289 0.07909929 -0.17864610 -0.24477408 Ni 6.96968274 8.74271259 5.20736784 -0.14125029 -0.24729621 0.33369848 Ni 10.44898173 6.97394686 3.48273570 0.35602881 -0.06787532 0.19308004 Ni 12.19495976 8.70785238 3.46219223 -0.21047358 -0.13429206 0.26716998 Ni 12.17726244 6.94173460 5.25724719 -0.09166100 0.24163911 -0.19121240 Ni 10.42196137 8.67999880 5.24497153 0.53931239 0.15625704 -0.20363380 Ni 0.01899357 10.43001252 3.49367742 -0.04192140 0.37227897 -0.12038017 Ni 1.71713405 12.17881036 3.50609261 -0.04199708 0.03155334 -0.11121176 Ni 1.72760878 10.45041447 5.21940355 -0.06552367 0.42826375 0.19195625 Ni 0.00614465 12.19318990 5.22206457 0.23587197 -0.30656056 0.14848209 Ni 3.47197305 10.44109581 3.46117498 0.19750835 0.76304778 0.31352621 Ni 5.22064697 12.22779212 3.51062045 0.23774993 -0.28079472 -0.21350193 Ni 5.20341431 10.45827299 5.22146579 0.31588273 0.46663849 -0.03746704 Ni 3.51828344 12.20276351 5.20082110 -0.24108422 -0.14284814 0.21979441 Ni 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Ni 5.24467918 0.00267797 8.74133526 -0.08497800 0.00693142 -0.32336861 Ni 3.51934547 1.73383665 8.72952430 -0.30355547 -0.21527943 -0.31164203 Ni 6.96379332 0.01886524 7.00234073 -0.01855179 0.01657800 -0.14903786 Ni 8.74153485 1.72390975 6.99663619 -0.20179138 -0.18843543 -0.01985296 Ni 8.73315935 0.00031706 8.70864492 -0.16490009 0.06809153 0.12461493 Ni 6.96616527 1.73082684 8.69213627 0.11821597 -0.28164158 0.20021286 Ni 10.47229132 0.03007640 6.97099806 0.13142655 -0.19144680 0.04730528 Ni 12.17916084 1.75716291 6.99279663 0.08571049 -0.30304723 -0.02835457 Ni 12.18253063 0.01623466 8.71847390 -0.12516142 0.09490028 -0.01650967 Ni 10.47237709 1.69932300 8.74632681 0.13645720 0.18585566 -0.35010151 Ni 0.04600465 3.48579878 6.98865978 -0.08420263 0.22729549 -0.19844884 Ni 1.76365625 5.26076344 6.97856886 -0.37664745 -0.38413252 -0.15465850 Ni 1.72102269 3.45983718 8.71390479 0.01380154 0.42096234 -0.13745515 Ni 0.05131238 5.24620831 8.72714675 -0.28220670 -0.28060598 -0.15895852 Ni 3.46674835 3.45051435 6.96124705 0.26963777 0.65100554 0.13927109 Ni 5.22023132 5.25922395 6.97257311 0.15659640 -0.50754537 0.13665161 Ni 5.22488864 3.46781630 8.74464022 0.04212809 0.40045448 -0.35190948 Ni 3.47559687 5.22166016 8.74249683 0.33660978 0.03258376 -0.36156274 Ni 6.98921368 3.45274104 6.95971364 -0.19725908 0.40530718 0.23672643 Ni 8.68631660 5.23515354 6.98515705 0.05750707 -0.18854008 -0.18387427 Ni 8.73827037 3.48695278 8.72331603 -0.30885764 -0.12884078 -0.25157995 Ni 6.95067816 5.24644496 8.71527329 0.24190677 -0.28737532 -0.07437452 Ni 10.46925833 3.51685592 6.95397106 0.17304691 -0.32903146 0.43243061 Ni 12.17056306 5.21648588 6.96581892 0.13684898 0.07732451 0.16708883 Ni 12.21789759 3.46849955 8.69518563 -0.23360566 0.33161868 0.13001796 Ni 10.42021969 5.21638171 8.69602380 0.88691544 0.17820546 0.16193646 Ni 0.02519654 6.94320202 7.00100951 -0.02928466 0.08948501 -0.33686883 Ni 1.72210619 8.68508233 6.96316802 0.06818024 -0.09435257 0.11835208 Ni 1.72540330 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10.46251385 0.02322511 10.49785234 0.10099248 -0.20071890 -0.06586284 Ni 12.19739962 1.75489308 10.42146902 0.10438386 -0.11341513 0.42171902 Ni 12.17676085 0.00224342 12.17780024 -0.07492234 0.22037285 -0.09094371 Ni 10.45586288 1.76553200 12.20509532 0.17280071 -0.22384039 0.02379663 Ni 0.02870659 3.51886240 10.46121668 -0.02832618 -0.26437105 0.19144590 Ni 1.74086066 5.24548906 10.43206736 -0.13693324 -0.29503221 0.69567760 Ni 1.75526039 3.50555289 12.20848918 -0.22254504 -0.09963718 -0.12233862 Ni 0.00862405 5.20216797 12.19905263 0.19827722 0.05706431 -0.13496457 Ni 3.47189954 3.51362584 10.47506774 0.20074521 -0.12465549 0.25653845 Ni 5.25951549 5.26297061 10.45358573 -0.42913774 -0.29048791 0.43181513 Ni 5.19937209 3.49318323 12.18737050 0.24282488 -0.07790438 -0.14544490 Ni 3.50894423 5.22375306 12.16498679 -0.08153732 0.40654251 0.04345256 Ni 6.99266697 3.45373269 10.43365573 -0.18762974 0.35956632 0.44940694 Ni 8.73841276 5.22899381 10.43688219 -0.49337869 0.14460248 0.46958304 Ni 8.72907077 3.48764798 12.14485350 -0.16082479 0.18131096 0.15296424 Ni 6.94849697 5.24334250 12.15116519 0.21351310 -0.16201199 0.10496368 Ni 10.45961994 3.49084688 10.44793966 0.52805556 0.14088022 0.27648306 Ni 12.22314707 5.26411173 10.45909970 -0.30365288 -0.22485936 0.11353994 Ni 12.17266983 3.47537366 12.21968751 -0.24930774 0.19755001 -0.37254260 Ni 10.42533412 5.25843987 12.19625566 0.41188334 -0.15386818 -0.09133790 Ni 0.03283032 6.93952251 10.48611326 -0.34980985 0.22964197 0.00183054 Ni 1.74757201 8.68159237 10.42157947 -0.41759006 0.43975481 0.42028089 Ni 1.68728102 6.99004004 12.17071776 0.26057402 -0.33628146 0.22230226 Ni 0.03146029 8.69308065 12.21576357 0.11846799 0.23864926 -0.28379344 Ni 3.45408415 6.99470067 10.45219843 0.57010347 -0.38661904 0.47042124 Ni 5.20118194 8.73774114 10.42562058 0.25246696 -0.33311661 0.71714627 Ni 5.25336281 7.03318828 12.22750777 -0.17832879 -0.17581241 -0.25707922 Ni 3.45729640 8.69269445 12.15004652 0.15768352 0.13339037 0.18489648 Ni 6.93423032 6.98831660 10.48477388 0.46714520 0.04964362 0.25642572 Ni 8.70574050 8.68308566 10.46777200 -0.03228687 0.33275304 0.22214522 Ni 8.71454864 6.99232996 12.17919889 -0.20688629 -0.23350729 0.10091591 Ni 7.00325482 8.73301823 12.21433942 -0.01962361 -0.05778876 -0.07445661 Ni 10.42629095 6.99706948 10.45600113 0.63053616 -0.32485168 0.25354238 Ni 12.17848980 8.71543204 10.44928299 0.13176018 -0.33768445 0.24665933 Ni 12.18217781 6.96346521 12.20574782 -0.30748756 0.13389503 -0.28208957 Ni 10.41934612 8.73092376 12.21380828 0.30624668 -0.09898979 -0.07490196 Ni 0.01309318 10.43107327 10.43740057 0.12288151 0.26484464 0.23371672 Ni 1.76532385 12.21703333 10.47960555 -0.21798386 -0.24471345 -0.06728493 Ni 1.76014707 10.44935462 12.21853974 -0.18850756 0.12319265 -0.23222455 Ni 0.03262054 12.19580858 12.21927498 0.20011270 -0.23874764 -0.22383086 Ni 3.50128090 10.45993576 10.45005687 -0.32861603 0.24343660 0.24329306 Ni 5.20628203 12.21303255 10.45555417 0.13519363 -0.15225614 0.15007362 Ni 5.25160740 10.42014703 12.16087502 -0.17708152 0.36446584 0.12069656 Ni 3.50936596 12.20401859 12.18303629 -0.01673202 -0.30009529 -0.17376333 Ni 6.99618986 10.43821368 10.47760060 -0.19696656 0.37532326 0.04306003 Ni 8.68802960 12.17471816 10.49117343 0.26915212 0.11315701 0.01372562 Ni 8.70951260 10.51652500 12.21561813 0.16150150 -0.13107665 -0.03198231 Ni 6.98015692 12.19135805 12.18362029 -0.29341617 -0.13726225 -0.15230639 Ni 10.48689834 10.42144660 10.45759688 -0.31725887 0.31854458 0.23216295 Ni 12.21030205 12.17538816 10.50206946 -0.16784155 -0.09284775 -0.20963303 Ni 12.19406626 10.44517326 12.13924278 -0.04084381 0.00098874 0.17698466 Ni 10.49643671 12.21823545 12.19602437 -0.10685621 -0.25338449 -0.21852349