4000 Lattice="35.04175106372582 0.0 0.0 0.0 35.04175106372582 0.0 0.0 0.0 35.04175106372582" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16883.584509613556 stress="-226.09363232848472 -4.420539036571199 7.883109848000572 -4.420539036571199 -219.39404778167 2.7506139472266113 7.883109848000572 2.7506139472266113 -226.5205391744509" pbc="F F F" Ni -0.01149922 0.00633619 0.01716268 0.38642219 0.42340250 0.42038807 Ni 1.71717958 1.78025554 0.03480496 0.35536717 -0.28079946 -0.34697315 Ni 1.75915888 -0.00288945 1.73279328 -0.10765765 0.10117115 0.29700685 Ni -0.02664021 1.77648580 1.75407328 0.13522561 -0.21108056 0.33389149 Ni 3.53592247 -0.00546752 -0.03354032 -0.39316221 0.23560531 0.22470379 Ni 5.26817280 1.71786477 0.02089480 -0.06114063 0.65527163 -0.19515552 Ni 5.27822579 0.00356998 1.72147203 -0.39031200 -0.23162406 0.63671604 Ni 3.48366695 1.72924178 1.72925392 0.15269751 0.16551238 0.33643835 Ni 6.99260288 -0.01908920 -0.02298513 0.22630478 0.17192886 0.13111114 Ni 8.72671845 1.78165886 0.02311096 0.31368530 -0.29071683 -0.31589269 Ni 8.76561357 0.03414914 1.73583886 -0.25695334 -0.39610727 0.18669526 Ni 6.99527008 1.71898843 1.75356354 0.22160680 0.25692719 0.13912342 Ni 10.53109971 0.01780149 -0.01253855 -0.09823725 0.16258205 0.08577797 Ni 12.25749753 1.77804564 0.02155288 0.19373124 -0.11347023 -0.24214992 Ni 12.29673315 0.01568920 1.72938603 -0.36792046 -0.08389848 0.37846081 Ni 10.48591354 1.71822548 1.73707214 0.38746502 0.60906851 0.26178365 Ni 14.00036362 0.02841643 -0.00603367 0.19368637 0.21010277 0.05649816 Ni 15.75375196 1.80096206 -0.02968187 0.05497557 -0.10468932 0.19961088 Ni 15.78344959 0.00297577 1.73303641 -0.24501828 0.11816550 0.15593943 Ni 14.00753259 1.75938318 1.77341221 0.33037585 -0.07745309 -0.26846493 Ni 17.53151102 0.03406175 -0.01011477 -0.22657429 0.00142890 -0.08746196 Ni 19.25496140 1.75999054 0.03258565 0.38021201 0.21276680 -0.36400997 Ni 19.25694246 0.02615641 1.71852777 0.09744598 -0.20892160 0.59443128 Ni 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Ni 33.30715104 1.75390871 0.02093113 -0.33597034 0.13680626 0.24875898 Ni 33.31594476 -0.00008346 1.76181271 -0.43030832 0.25602052 0.14565939 Ni 31.50857824 1.72554796 1.75934875 0.25985243 0.38031260 -0.24064162 Ni 0.02701130 3.56001235 0.02749972 -0.34384421 -0.28381574 -0.17235174 Ni 1.72328015 5.28612366 0.05293814 0.65356578 -0.00219693 -0.41471494 Ni 1.72659445 3.49851147 1.71984944 0.49888649 0.12483528 0.87552698 Ni 0.01108019 5.28137903 1.76329232 -0.24623165 -0.14432181 0.43124311 Ni 3.51888858 3.51823334 0.01710311 -0.24567610 -0.22929740 0.08678057 Ni 5.24192454 5.22879633 0.01787900 0.36064860 0.07445554 -0.04076481 Ni 5.29069429 3.48814590 1.79182658 -0.23843364 -0.15153642 -0.52517165 Ni 3.52668519 5.26638141 1.77388296 -0.35654375 -0.27304534 -0.32779721 Ni 7.02140244 3.48426821 -0.00046129 -0.45124800 0.02893542 -0.13798749 Ni 8.76306374 5.23704280 0.00608012 -0.01302450 0.13485968 -0.22214019 Ni 8.73064724 3.49605375 1.73934541 0.34425280 -0.16259968 0.37137901 Ni 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22.74403284 5.26777200 0.02249756 0.35945465 -0.21765376 -0.00801221 Ni 22.74764154 3.46950535 1.78356341 0.44110310 0.21513182 -0.31388917 Ni 21.01123044 5.23034149 1.73321169 0.10058602 -0.04918611 0.48542814 Ni 24.56354738 3.48086523 -0.01290246 -0.66604551 0.19101434 0.03280744 Ni 26.30735562 5.22317027 -0.01644306 -0.21460419 0.32901417 -0.06089889 Ni 26.25938632 3.50830485 1.72667189 0.41281832 -0.38821386 0.47011977 Ni 24.56004140 5.22430811 1.71778978 -0.48676244 0.32162469 0.28334869 Ni 27.99912501 3.47183019 -0.03276831 0.28404491 0.05758858 0.20414013 Ni 29.80094542 5.22201431 0.01765872 -0.31591891 0.25088927 -0.15164960 Ni 29.77126874 3.51022323 1.73310877 0.20388597 -0.30306387 0.00551650 Ni 28.00566824 5.26194138 1.78263671 0.11629150 -0.20291818 -0.50572806 Ni 31.57191996 3.52683371 -0.02687123 -0.13525239 -0.29676999 0.34623497 Ni 33.32137072 5.28231379 -0.00512326 -0.24967564 -0.15076327 0.32387016 Ni 33.30598224 3.49167350 1.77676707 -0.21334152 0.14367905 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1.78345397 -0.02646857 -0.01968300 -0.63103619 Ni 10.49349805 12.25683255 1.71934238 0.13437469 0.36413969 0.29320361 Ni 14.05166128 10.51516975 -0.02955173 -0.24884076 -0.15461174 0.30801276 Ni 15.75797547 12.27958693 -0.01038912 0.17963469 0.04908683 0.11406989 Ni 15.78028425 10.48613340 1.78649497 -0.02420902 0.32798344 -0.29570990 Ni 14.03838501 12.30910895 1.71992090 -0.33246623 -0.35047308 0.25733554 Ni 17.49429975 10.53814311 -0.03325022 0.07102252 -0.40277171 0.21034141 Ni 19.28356342 12.22406362 0.01949119 -0.17329712 0.49271681 -0.38445914 Ni 19.28847880 10.52937054 1.73078516 -0.27217964 -0.29516917 0.40702342 Ni 17.54489587 12.25176939 1.73601034 -0.41657090 0.05699089 0.10224936 Ni 21.00462058 10.50163904 0.02011689 0.47211344 0.05267548 -0.28296320 Ni 22.79273756 12.24109915 -0.00492465 -0.20513719 0.24563680 -0.13825588 Ni 22.77777780 10.54926205 1.78586298 -0.14992846 -0.33111460 -0.30532035 Ni 21.05544390 12.28343357 1.72078603 -0.17528586 -0.28297128 0.30171064 Ni 24.48931806 10.51337686 -0.02285641 0.18945760 -0.25035639 0.07479981 Ni 26.27197324 12.24636514 0.02566531 0.23671385 0.06968015 -0.39879054 Ni 26.25718130 10.52719965 1.74039627 0.24956333 -0.38123157 0.16733765 Ni 24.55020876 12.23411219 1.72091907 -0.47895364 0.45802023 0.25587589 Ni 28.04567694 10.47421303 0.02286434 -0.10828200 0.12142926 -0.20287035 Ni 29.80167638 12.23403473 0.02924609 -0.18097642 0.33067997 -0.14814372 Ni 29.75370562 10.48633128 1.75824867 0.46416297 0.35382822 0.30636855 Ni 28.02422004 12.24766623 1.72606823 0.22732711 0.26360075 0.31145205 Ni 31.51556502 10.48006741 0.01728552 0.19497605 0.28957383 -0.14269343 Ni 33.30558250 12.26245933 0.01800826 -0.32787054 -0.06988820 0.25726565 Ni 33.26067822 10.47918384 1.78064679 0.31060465 0.28708382 0.01763181 Ni 31.53438440 12.23301944 1.72927493 -0.01090007 0.27686127 0.40710720 Ni 0.03366724 14.04152168 -0.01055389 0.12171938 -0.02136561 0.29608380 Ni 1.75020042 15.79425020 -0.01544958 0.19781179 -0.11711671 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Ni 31.51821088 24.55966927 7.03023891 0.20317395 -0.41317146 -0.26425828 Ni 33.28602230 26.31072072 7.02993524 0.13174921 -0.42170400 -0.21563402 Ni 33.32460366 24.54075133 8.81011262 -0.15845168 -0.00511299 -0.35717376 Ni 31.53721073 26.25139219 8.72860509 -0.10256530 0.30681789 0.68734551 Ni 0.02556326 28.06298086 7.00688304 -0.18250214 -0.18442837 0.25106113 Ni 1.78332419 29.75489235 7.02847211 -0.48171267 0.63709207 -0.17027954 Ni 1.78056178 28.04566187 8.75971010 -0.43497259 -0.21548693 0.19019120 Ni -0.03066721 29.76086261 8.81044615 0.14333938 0.22885305 -0.21767885 Ni 3.47824207 28.04902091 6.99039615 0.33956707 -0.45215712 0.20446878 Ni 5.29333292 29.79587432 7.00138480 -0.38047998 -0.11484545 0.23858734 Ni 5.24528039 28.00175934 8.73621645 0.20765644 0.31035013 -0.02423561 Ni 3.52231307 29.75128810 8.74194330 -0.12643244 0.56924852 0.12690330 Ni 7.00575719 28.03180370 7.01931795 0.17301148 0.04103139 -0.12406234 Ni 8.78683436 29.79586228 7.03051694 -0.16909512 -0.10505551 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12.28201390 -0.15973559 0.39630954 -0.20174488 Ni 28.05264432 17.56246318 10.47587893 -0.25404152 -0.49385395 0.55141849 Ni 29.80188080 19.30053391 10.49051546 0.06234360 -0.00962791 0.39372639 Ni 29.76080052 17.54506457 12.26082301 0.52234354 -0.14689818 0.16867508 Ni 28.06201665 19.26325863 12.25854807 -0.41035449 0.22463502 0.03560791 Ni 31.50949181 17.55540421 10.52234987 0.35160602 -0.17825162 0.04397691 Ni 33.30576133 19.29093313 10.49782245 0.11861557 -0.35655604 0.22870067 Ni 33.25504818 17.54181850 12.27370094 0.28224084 -0.12694532 -0.26140202 Ni 31.56681654 19.30621159 12.28921323 -0.38573258 -0.44085662 -0.33460096 Ni 0.02421892 21.01144270 10.54670129 -0.46168882 0.12969380 -0.31049011 Ni 1.73253612 22.78791310 10.52699297 0.35240062 -0.26046277 -0.33801547 Ni 1.72030820 21.00262539 12.23700917 0.42501135 0.18594143 0.66239911 Ni 0.01422256 22.79619160 12.26823160 -0.23029149 -0.13538257 0.12944864 Ni 3.53467310 21.01128405 10.49407267 -0.67025997 0.19270447 0.10714801 Ni 5.24203341 22.75462780 10.52736939 0.21480058 0.29772088 -0.24953658 Ni 5.24982784 20.99182326 12.23088897 -0.06576673 0.34810654 0.64259663 Ni 3.49709406 22.73830323 12.23911736 -0.17693051 0.16763369 0.21372300 Ni 7.01775850 20.99230005 10.54472791 -0.14328967 0.47528322 -0.59036599 Ni 8.76259523 22.80449683 10.51154444 -0.01688396 -0.15471280 0.28142316 Ni 8.73118085 21.05266504 12.25393365 0.44143805 -0.26664891 0.09720021 Ni 6.97778076 22.75002064 12.29201091 0.14671591 0.34272045 -0.34385802 Ni 10.50296885 21.01641464 10.51431086 0.29115888 -0.07374882 0.14596643 Ni 12.27451371 22.78621229 10.52542476 -0.06734592 -0.16387135 -0.20233244 Ni 12.28927468 21.01348618 12.29295185 -0.30432157 0.09378799 -0.44817080 Ni 10.53080864 22.75164121 12.24451797 -0.11084148 0.31740034 0.23849565 Ni 13.98593420 21.00810012 10.50398198 0.40412209 0.20667346 0.19269696 Ni 15.78927452 22.80120384 10.53634119 -0.15966508 -0.26360089 -0.45060198 Ni 15.73533810 21.05202410 12.25674892 0.34010110 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21.02767673 10.52889944 0.42080181 0.06180812 -0.28684307 Ni 29.78326334 22.80871036 10.52766676 0.15617804 -0.56796450 -0.12101722 Ni 29.78885228 21.00751629 12.29428929 0.17377002 0.27998363 -0.57299030 Ni 28.04509608 22.75505152 12.29367180 -0.17704670 0.40843662 -0.45690916 Ni 31.56551569 21.01089941 10.54286157 -0.43681196 0.32755215 -0.16164695 Ni 33.32436235 22.74937905 10.48087257 -0.15363393 0.11227852 0.20760492 Ni 33.29888288 21.01658751 12.25244022 0.17791614 0.19300762 0.27621289 Ni 31.55344325 22.79767952 12.25470550 -0.17823281 -0.35108979 0.10673145 Ni 0.02664752 24.54613216 10.48981804 -0.19999045 -0.21927718 0.19930594 Ni 1.76857200 26.26023556 10.48693686 -0.23228104 0.36114862 0.18315529 Ni 1.74892025 24.50606055 12.25716695 0.05705946 0.43472498 0.16324980 Ni -0.00302828 26.27465170 12.25274889 0.16334647 0.00049801 0.10486347 Ni 3.48344999 24.55167612 10.51669244 0.28638925 -0.31009754 -0.10808924 Ni 5.27084028 26.31167512 10.50289025 -0.09551812 -0.62280645 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29.76763646 26.30355018 10.51586438 0.13863780 -0.40604487 -0.16013411 Ni 29.78075678 24.52182873 12.24259940 0.16519592 0.25269697 0.23109895 Ni 28.01451255 26.27609112 12.27046659 0.28561018 0.20163854 -0.22562560 Ni 31.57004685 24.55151557 10.52780805 -0.34617167 -0.25910180 -0.39218218 Ni 33.28871976 26.30698844 10.52298552 0.16824145 -0.26527904 -0.12918366 Ni 33.26185542 24.50138332 12.26525506 0.42129268 0.21979255 0.16169840 Ni 31.56108502 26.26747376 12.23974866 -0.32657553 0.17271210 0.64290093 Ni 0.01689335 28.04118602 10.53093805 -0.04657373 -0.39623032 -0.27004992 Ni 1.76921859 29.78342016 10.54573771 -0.04213813 0.12487768 -0.34333648 Ni 1.75458865 28.04483926 12.23687595 -0.03824551 -0.40638246 0.29231684 Ni -0.01667497 29.76097932 12.24475321 0.09581090 0.31722680 0.35392974 Ni 3.53137325 27.99962188 10.50052428 -0.42694594 0.37762469 0.04575764 Ni 5.23191833 29.77723140 10.46398212 0.16105426 0.23450070 0.40934306 Ni 5.26296798 28.01161352 12.23982715 -0.22784795 0.25150125 0.27200608 Ni 3.47015492 29.75238394 12.29187484 0.50314837 0.42165701 -0.35702798 Ni 7.01648030 28.01925796 10.53791912 -0.03580930 0.18271754 -0.34559630 Ni 8.74390929 29.75513285 10.48308211 0.21976160 0.52272086 0.49573694 Ni 8.79059772 28.06620912 12.24516838 -0.32415244 -0.22204148 0.23400943 Ni 6.97525741 29.76690362 12.26627335 0.28775677 0.19368357 -0.26607444 Ni 10.51944370 28.00876117 10.52332294 0.08422482 0.35878009 -0.34356117 Ni 12.26478036 29.76558519 10.48499230 -0.14890853 0.45176087 0.22686961 Ni 12.24304421 28.06122292 12.24177476 0.47790621 -0.40007871 0.35822807 Ni 10.54526913 29.75074972 12.29327053 -0.44249450 0.72783739 -0.41606197 Ni 13.99694282 28.04676951 10.53642087 0.06920487 -0.35983584 -0.32475509 Ni 15.76687329 29.81411357 10.53155514 0.16967325 -0.11499592 -0.12621290 Ni 15.73694405 28.02158372 12.21960444 0.40671386 0.11492848 0.35059292 Ni 14.03246876 29.79545421 12.24837169 -0.20113970 0.04304575 0.10954276 Ni 17.48936733 28.05904782 10.48301304 0.45096606 -0.11480887 0.64191676 Ni 19.28295357 29.77667035 10.52868513 -0.10474419 0.50737379 -0.18188380 Ni 19.29662710 28.04015929 12.24557355 -0.23928708 -0.28579981 0.18578612 Ni 17.54970696 29.81179313 12.27424145 -0.29448426 -0.16598816 -0.13219887 Ni 21.05386083 28.05999535 10.48622903 -0.23069552 -0.38207404 0.30106775 Ni 22.78001411 29.76815439 10.49890628 0.13476084 0.47104725 0.15628407 Ni 22.80529260 28.04123094 12.24572737 -0.32447161 -0.04482422 0.21380333 Ni 21.01672480 29.77664296 12.29762681 0.30312775 0.11600535 -0.44122191 Ni 24.51543170 28.02200134 10.52305393 0.22849946 0.11516359 -0.46032709 Ni 26.31530489 29.77251361 10.48002846 -0.49527266 0.14804804 0.48294302 Ni 26.25772525 27.99881632 12.29101926 0.28943372 0.37447291 -0.29780922 Ni 24.56012026 29.78232390 12.22271203 -0.08817364 0.27509318 0.20460576 Ni 28.06504907 28.04891048 10.49508218 -0.58691718 -0.48072756 0.09642072 Ni 29.75668604 29.77113094 10.50998859 0.59524105 0.43311314 -0.17304728 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12.26158003 12.26942220 24.54671428 0.06031941 -0.29018087 -0.25592420 Ni 12.29038055 10.50304319 26.26194579 -0.27828854 0.08895983 0.19074586 Ni 10.48102479 12.30566617 26.30544318 0.22699209 -0.26763994 -0.40834624 Ni 14.01045094 10.48052000 24.55803061 0.13775300 0.50330886 -0.58743344 Ni 15.78918065 12.27279657 24.55000876 -0.07001913 -0.22585814 -0.29766850 Ni 15.74849102 10.54468306 26.31529826 0.42563358 -0.50255140 -0.32343591 Ni 14.04079105 12.26667416 26.27069187 -0.40673988 0.08178738 0.07916872 Ni 17.49481284 10.48197622 24.50901250 0.10148422 0.22586776 0.14242943 Ni 19.27560832 12.23486751 24.49609684 -0.10854204 0.41421949 0.63137407 Ni 19.24042863 10.53362746 26.27309487 0.49261427 -0.50030350 -0.06963823 Ni 17.54954016 12.26169490 26.29267923 -0.37217584 0.25569987 -0.27957040 Ni 21.04354214 10.48002708 24.52400821 -0.24596879 0.04513254 0.06225519 Ni 22.74908830 12.24806942 24.54822168 0.46883128 0.15347769 -0.25315011 Ni 22.77182604 10.48751134 26.26902828 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13.98685136 24.53705499 -0.17041613 0.14704313 -0.14542360 Ni 1.76058531 15.74898736 24.51225221 -0.17888795 0.12556605 0.14910924 Ni 1.73699789 14.00369734 26.25807877 0.06883458 0.25391745 0.40899925 Ni -0.01581451 15.78876250 26.27045503 0.23358877 -0.25290532 0.25859872 Ni 3.49254427 14.00603320 24.49658679 0.26136326 0.14020635 0.44251629 Ni 5.25426929 15.74744278 24.50908376 -0.09539407 0.30381315 0.10029458 Ni 5.26772317 14.03685814 26.31569291 -0.22007580 -0.25156284 -0.41012555 Ni 3.48075023 15.78363932 26.26252576 0.15128303 -0.27623665 0.09775957 Ni 6.99953197 14.04369661 24.53615543 -0.10412761 -0.28779889 -0.27412357 Ni 8.74390326 15.75764036 24.50308811 0.23107099 0.28116022 0.43557942 Ni 8.72996337 14.02713347 26.24985173 0.37406384 -0.03281127 0.29387072 Ni 7.01418516 15.76694350 26.25970621 -0.11620258 0.28801329 0.08918680 Ni 10.54620608 14.00926023 24.53522681 -0.41294715 0.16456722 -0.06296095 Ni 12.24034530 15.78548342 24.55343931 0.16959719 -0.18702227 -0.40536988 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Ni -0.02957134 31.52314475 27.99983466 0.24979264 0.07557050 0.26063972 Ni 1.72455893 33.32092403 28.03659647 0.19744858 -0.36361769 0.05556975 Ni 1.77815058 31.55140477 29.81017530 -0.37796792 -0.22522420 -0.34170684 Ni -0.01623413 33.26448412 29.81758286 0.13265432 -0.10544051 -0.23128527 Ni 3.49822262 31.50615994 28.01057593 0.07279836 0.47396193 0.16191463 Ni 5.23045816 33.31330943 28.00952944 0.32295966 -0.16035726 0.45809833 Ni 5.26802564 31.56175592 29.79567755 -0.26302271 0.00431779 0.03871127 Ni 3.48344101 33.30773650 29.76783622 0.11427502 -0.07257265 0.10658006 Ni 6.99301829 31.51167297 28.04512390 0.16460355 0.37464696 -0.12349853 Ni 8.74366261 33.29572022 28.05269628 0.07679728 -0.05810972 -0.17063503 Ni 8.75060446 31.55345974 29.76677092 0.24956512 -0.25273003 0.20571781 Ni 7.02184753 33.30595527 29.82857870 -0.32494325 -0.05236451 -0.30588855 Ni 10.54585636 31.56558061 28.04479188 -0.42133333 -0.18861804 -0.14619621 Ni 12.23827883 33.30863822 28.00074831 0.54508835 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31.56149778 31.53183659 31.50313571 -0.27839912 -0.19810656 0.55781664 Ni 33.31553059 33.28359416 31.55778447 -0.23253332 -0.32207773 -0.26106844 Ni 33.27514729 31.52096550 33.31922380 -0.21289454 -0.19803748 -0.29424644 Ni 31.54171205 33.26500516 33.28030698 -0.24083333 -0.11009263 -0.30814856