500 Lattice="12.837000633000887 0.0 0.0 0.0 12.837000633000887 0.0 0.0 0.0 12.837000633000887" Properties=species:S:1:pos:R:3:forces:R:3 energy=-39895.70394078789 stress="-4.281073968096597 -0.0018668474219444085 -0.0703511697108191 -0.0018668474219444085 -3.84540981514236 -0.1825609649864556 -0.0703511697108191 -0.1825609649864556 -4.07670694680038" free_energy=-39895.70394078789 pbc="F F F" Ni 0.01618330 0.00944788 0.00938651 35.28096742 31.20342298 35.29301239 Ni 1.28482060 1.30591178 0.00317698 89.43427499 92.35960132 -93.70104222 Ni 1.30531618 0.01639673 1.29675099 82.10926351 -82.80244345 84.01242577 Ni 0.00894135 1.26740569 1.27866704 -96.69610251 89.95895539 83.64094743 Ni 2.56250198 0.00762355 0.04034849 20.22329261 -32.95206077 -29.71338923 Ni 3.84415831 1.28313880 0.01372208 30.00706657 130.31660646 -68.38765886 Ni 3.84200668 0.01089781 1.27526504 18.30048281 -75.99338013 129.15825787 Ni 2.58633748 1.28992060 1.30045492 -61.82561075 73.72223822 64.88415418 Ni 5.14481887 0.02947512 0.00502185 -5.51917822 -15.22926936 -25.51418251 Ni 6.39244966 1.29071941 0.02285688 13.95710509 134.75019138 -49.12440143 Ni 6.43362757 0.02399740 1.28257639 16.10058578 -54.60977936 127.95725957 Ni 5.13092828 1.29693590 1.28983531 21.71792070 73.97696276 109.24935125 Ni 7.68619128 0.01462150 0.03790313 -1.73210534 -29.30690509 -25.16691255 Ni 8.98380075 1.28896263 0.00897648 -14.61945592 108.11690746 -47.84014675 Ni 8.99392771 0.03656573 1.26254857 -15.70377992 -37.08575260 124.18318235 Ni 7.70080651 1.28235665 1.27763265 7.75586480 104.16693907 125.95738602 Ni 10.28204107 0.02016882 0.04411365 -71.87484849 -17.77649950 -16.52336321 Ni 11.54294835 1.29736168 0.01741196 7.88157003 74.63767842 -12.85005047 Ni 11.53386898 0.00811097 1.28667523 17.92257812 -18.23286773 75.45153668 Ni 10.29348458 1.26763334 1.27900242 -93.62400907 105.52896968 82.07315102 Ni 0.03255729 2.54903427 0.02214492 -20.94732789 22.99006970 -26.58731962 Ni 1.26738083 3.86190504 0.00069559 154.38468256 8.66967045 -59.12233735 Ni 1.30879019 2.57645868 1.26567286 76.07124666 -34.15974195 133.82485483 Ni 0.01122706 3.88685853 1.27951315 -48.24030908 -2.16594225 132.63037312 Ni 2.59619097 2.55052493 0.02504556 -0.31856471 18.02502547 -56.86364120 Ni 3.85784581 3.85778087 0.01930889 20.00274558 21.92606701 -128.08222506 Ni 3.87199685 2.54934912 1.27545194 -47.31232996 -4.66545469 92.51095366 Ni 2.58689546 3.83303535 1.27120295 -118.76719595 81.99326333 119.78200665 Ni 5.13528769 2.56848102 0.00515695 8.41647921 -2.71721207 -77.52585615 Ni 6.40139484 3.84636199 0.02231983 20.21486218 22.96221575 -128.72208824 Ni 6.42985327 2.57453860 1.32131731 -88.75355612 -52.99863436 -60.20662213 Ni 5.12921702 3.83978288 1.26341254 45.52646940 105.69592654 151.52183511 Ni 7.69673480 2.59494084 0.01353014 -7.59358917 -18.31664392 -110.32679783 Ni 9.01111807 3.84449094 0.01751180 -1.17333739 22.39623674 -100.64610069 Ni 8.99281734 2.57542234 1.28770941 24.17431823 -57.88459026 91.12757422 Ni 7.72554244 3.86338334 1.26799676 -115.63987396 -7.97940261 136.31018259 Ni 10.28025833 2.56332683 0.02239879 -105.53658999 9.33007327 -31.69303676 Ni 11.57380495 3.87007598 0.03609716 0.53811256 5.00560085 -8.88215981 Ni 11.56871628 2.57379458 1.30830260 36.90675082 24.06556096 99.78279051 Ni 10.24250903 3.87154807 1.29329962 -2.82127513 -26.63732031 84.61522607 Ni 0.01291432 5.10521544 0.01066903 -16.38844218 10.38790074 -14.61760202 Ni 1.26226671 6.44829175 0.01515731 152.26664663 -13.85466069 -36.72503368 Ni 1.29872438 5.12937377 1.28602113 106.39556400 4.52263644 111.03576959 Ni 0.00911045 6.42082579 1.27544956 -45.88144917 2.75985911 128.17761804 Ni 2.55837937 5.15092369 0.00484330 31.33691486 -20.32684084 -48.69378949 Ni 3.84047904 6.40036683 0.00155213 23.88188900 32.22206033 -92.97910526 Ni 3.87569838 5.14974017 1.27835098 -103.73140351 -36.65696225 66.14274712 Ni 2.59280741 6.43228813 1.29344397 -162.99950916 -82.96649579 33.81113584 Ni 5.16036070 5.11889420 0.00234110 -43.63764372 17.88409226 -102.20630815 Ni 6.38727569 6.42185082 0.00709753 17.56349802 17.07391523 -110.33644026 Ni 6.42701906 5.15343329 1.26244869 -74.37380573 -51.87834943 103.03811410 Ni 5.12086210 6.42778877 1.25845131 34.60388246 -1.85308340 131.53517090 Ni 7.68239087 5.15065267 0.02216431 14.55705941 -18.12483661 -124.16876926 Ni 8.98607150 6.40134109 0.02239875 -5.91951208 10.93407873 -90.29030971 Ni 9.01314053 5.14428907 1.29329747 -56.92811791 -54.07881753 42.67061801 Ni 7.68570153 6.42620203 1.27616443 59.81736560 -20.17024134 27.87369862 Ni 10.24621204 5.14709537 0.01087698 -103.13136982 -0.86247419 -64.98583880 Ni 11.56531626 6.41212322 0.03748594 31.82058904 -3.12019774 -30.85695381 Ni 11.53028032 5.16561296 1.26581047 37.50808744 -16.41338333 147.92716321 Ni 10.29250509 6.44379357 1.30376836 -138.07387153 -66.42164688 57.24514431 Ni 0.02432551 7.70573587 0.01709325 -28.17429034 -3.10513377 -14.91223911 Ni 1.29047659 8.97578994 0.00167916 101.67222316 2.73308828 -30.06138562 Ni 1.25843135 7.68823972 1.28271101 140.37983091 34.73023235 112.81031254 Ni 0.02165451 9.02140245 1.29265719 -30.94321666 -23.22602473 122.58479468 Ni 2.52127130 7.72247321 0.01300545 44.56123027 -38.94778395 -64.48382244 Ni 3.82742311 8.98420016 0.00638078 34.41169108 -2.31284974 -76.26893805 Ni 3.86774260 7.71803630 1.26590084 -81.85211704 -95.22966737 106.30451891 Ni 2.56474965 8.98233005 1.29877871 -73.53647019 69.55728064 51.08440537 Ni 5.14272573 7.71744880 0.01600122 -20.26305172 -33.09715002 -124.97962207 Ni 6.39467290 8.98112686 0.01183714 1.99421516 19.88635974 -76.26615365 Ni 6.44333461 7.72153963 1.30278083 -111.72529067 -72.84744775 -116.78925581 Ni 5.12845337 9.00305464 1.28871908 43.11921279 -19.65645005 50.20398461 Ni 7.71256711 7.70496567 0.01853298 -55.26234375 -34.15408960 -141.58047833 Ni 8.94147911 8.98462896 0.01827603 37.71514235 18.35243115 -68.76265653 Ni 8.96739944 7.71843972 1.30638972 170.95883526 -61.61727807 -74.54954261 Ni 7.68823855 8.96049271 1.27311702 82.86181795 180.04118310 78.23247694 Ni 10.24531137 7.71869146 0.00911831 -114.39028290 -0.25407089 -65.35859084 Ni 11.54203290 9.00339820 0.04612120 37.41631597 -10.76190910 -34.74468889 Ni 11.53555528 7.67508644 1.26144061 71.61303769 12.65607737 124.52967526 Ni 10.29450856 9.03279722 1.30217362 -151.24532427 -69.06976383 59.38050396 Ni 0.00820475 10.24946401 0.02464291 -8.73157778 -72.68257233 -7.86585330 Ni 1.27760914 11.55877052 0.02626841 68.75573896 8.39524576 -8.09863935 Ni 1.30697867 10.26036273 1.29819666 50.31999301 -76.46974948 52.61726515 Ni 0.00887581 11.57570596 1.26435101 -4.70073765 8.59222533 71.33141238 Ni 2.58615037 10.28421095 0.00247586 -7.21205745 -105.48913547 -47.44985381 Ni 3.86708844 11.55288445 0.02387385 3.13096496 11.17406727 -9.37448176 Ni 3.82714165 10.27056699 1.30701088 58.14273744 -99.19655924 59.15885296 Ni 2.52874776 11.57363622 1.27334185 22.88380959 49.73291970 99.55578671 Ni 5.12616984 10.26217362 0.00005882 -4.54164549 -109.87679013 -53.05607497 Ni 6.39528554 11.53886452 0.02311425 4.40726447 8.55771304 -22.80428373 Ni 6.43479354 10.29162974 1.27834778 -38.32243936 -152.06574719 97.39047182 Ni 5.16389523 11.57720491 1.27763843 -31.54732075 42.94205202 134.35924960 Ni 7.71239893 10.26002070 0.00340306 -28.39630201 -104.14277428 -67.39575879 Ni 8.99620562 11.54303198 0.00404234 -26.99572999 24.04167855 -23.26606558 Ni 8.98245404 10.26018015 1.28404880 61.23072784 -56.81349791 106.80233821 Ni 7.71812723 11.57456743 1.27340809 -16.01541650 71.77549524 125.09569081 Ni 10.27482863 10.26042419 0.01877149 -97.42481800 -87.43088662 -93.49909567 Ni 11.56799381 11.54820697 0.02209947 -25.15298202 -27.81594261 28.81561994 Ni 11.55758909 10.27975151 1.27926761 103.62670432 -90.77012472 99.05367201 Ni 10.28691209 11.54717012 1.26206190 -95.54603757 91.51589798 102.62947525 Ni 0.02024267 0.02280946 2.56456038 -33.21303476 -36.91472255 14.87143717 Ni 1.30582585 1.26536428 2.57129300 66.56019240 133.65037727 -42.98872199 Ni 1.26584326 0.01089294 3.82984773 128.36898807 -63.37008463 42.96056429 Ni 0.00303104 1.28226260 3.84233440 -63.11530332 113.88209727 27.26026325 Ni 2.54747949 0.01668209 2.55820976 23.17621069 -50.42436188 17.52172567 Ni 3.84608033 1.25817273 2.56494655 18.76302711 125.74247700 -75.15672358 Ni 3.82579870 0.00087265 3.89536174 50.61671961 -131.67200264 -43.59799128 Ni 2.56515065 1.26753158 3.85563216 -92.54911850 68.58312127 -30.58844471 Ni 5.14244557 0.00920927 2.52199532 4.62754465 -70.09047053 44.91951306 Ni 6.43532028 1.28529166 2.57732502 -48.88369833 65.34719821 -61.92870622 Ni 6.44904227 0.00254233 3.85367284 -37.47618295 -110.99804349 17.01765462 Ni 5.14252806 1.30577396 3.82783475 -61.99323358 -105.95294262 136.09516507 Ni 7.72383208 0.00680082 2.57574079 -25.12868310 -92.39733919 -16.22496263 Ni 8.96453014 1.29832111 2.59122544 110.62183574 29.56069710 -180.04821789 Ni 8.99520069 0.02039187 3.83751418 2.58666484 -91.52823580 41.28482420 Ni 7.70560531 1.25816804 3.84901459 -49.42828487 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6.40026003 3.86887316 2.57878185 131.02341939 -84.86304893 -265.54456873 Ni 6.39611151 2.56790891 3.86077805 147.89265804 -137.68265752 -7.65356575 Ni 5.15418771 3.87661675 3.83277159 -166.77403293 -165.77720680 169.73583707 Ni 7.67827430 2.59039488 2.58161540 153.58743439 -316.93960320 -184.81049720 Ni 8.99611292 3.84132548 2.57800403 90.71942849 81.92915132 -215.11552151 Ni 8.96523834 2.55024309 3.82746289 254.64498246 -46.91048414 170.61443369 Ni 7.68539032 3.83046720 3.85661076 62.89994219 185.04205364 -0.88993717 Ni 10.26187697 2.57290408 2.54822696 -78.07447984 -57.98564430 31.19650348 Ni 11.55136099 3.88116904 2.56516386 71.31209739 -4.78947644 -3.47260992 Ni 11.56264965 2.56953009 3.85324699 51.20795360 8.09646548 12.66274362 Ni 10.27818752 3.86522176 3.83884168 -75.16037950 -73.55560906 35.95197360 Ni 0.01140376 5.14429363 2.54259035 -44.17849144 -16.31300780 40.33486948 Ni 1.27729392 6.39512065 2.52481279 137.18123892 83.63006125 112.39858827 Ni 1.27739235 5.11527112 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