256 Lattice="10.258397075418406 0.0 0.0 0.0 10.258397075418406 0.0 0.0 0.0 10.258397075418406" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15036.792641315606 stress="-2.7913144742075557 0.011350958756870288 0.01685819312979268 0.011350958756870288 -2.7761030504613293 -0.12062052960239422 0.01685819312979268 -0.12062052960239422 -3.0488356999884574" free_energy=-15036.792641315606 pbc="F F F" Ni 0.01458576 0.00622680 0.00583937 32.33261032 32.97430286 30.65109159 Ni 1.27065499 1.27443290 0.01697020 84.70823899 89.60548547 -91.51614544 Ni 1.29131994 0.00775388 1.29077011 93.92204576 -91.46371915 86.98995348 Ni 0.00722312 1.26154188 1.30111643 -105.88725192 90.90661749 88.80516930 Ni 2.52913420 0.00981669 0.02117239 15.69606891 -39.23948306 -35.01118439 Ni 3.81338632 1.27782486 0.01167426 30.20982447 124.70974294 -64.00631167 Ni 3.83380219 0.02411851 1.30623584 29.27653709 -62.91978270 106.66734498 Ni 2.55411915 1.27485921 1.27956815 -23.06594835 80.45028333 114.70932978 Ni 5.17192424 0.01931648 0.02155821 -2.23040333 -15.82391709 -11.91918509 Ni 6.43277508 1.27687857 0.00929681 -10.71063754 123.52741568 -42.08663895 Ni 6.43488397 0.02076037 1.29440557 -25.45998102 -36.11057051 111.09393513 Ni 5.09769083 1.32060736 1.27408333 89.71083693 -6.39789337 116.25678285 Ni 7.69327399 0.02341968 0.01885714 -74.78693681 -12.43115607 -16.54834931 Ni 8.95561388 1.28723028 0.01057892 7.12248445 81.06138760 -11.00732598 Ni 8.98195628 0.03294116 1.28851321 9.71916308 -9.77044177 75.89525517 Ni 7.68758350 1.26232420 1.27697435 -70.17826350 108.71965365 67.11291691 Ni 0.02019121 2.55816883 0.04075647 -31.49244886 19.13194599 -32.22742117 Ni 1.26283551 3.87084893 0.01637161 121.61448149 -4.78223412 -76.84703714 Ni 1.27310190 2.54851861 1.30212050 80.34375416 -13.51222709 40.08505610 Ni 0.00605160 3.85360281 1.28814261 -70.19929539 15.53102004 131.82007146 Ni 2.52537282 2.57010758 0.00948321 24.63265400 9.53552006 -49.70502366 Ni 3.88611901 3.84056828 0.02516546 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49.52362118 Ni 0.00614312 6.38982255 1.27408607 -33.73269485 6.50563007 131.66316860 Ni 2.52143217 5.12093508 0.01393765 27.12841795 5.82426989 -96.60775017 Ni 3.86643658 6.41571913 0.01178210 -37.65713077 2.44095022 -93.08606935 Ni 3.82628032 5.11129059 1.30249645 43.45849410 109.38601979 -126.96823535 Ni 2.55390605 6.41589310 1.28183337 -67.22067809 40.84017372 87.83014384 Ni 5.10222619 5.15385491 0.00174494 32.57079962 -61.30906000 -139.11595563 Ni 6.38667834 6.38690149 0.02454467 25.43359725 28.44233033 -68.20266462 Ni 6.43523337 5.12826737 1.30958798 -40.59188522 -6.88856329 -104.53986629 Ni 5.14257532 6.39893345 1.28362835 -111.68767765 141.31643661 46.72619131 Ni 7.68740816 5.13888092 0.01665137 -113.48253304 -22.79414705 -58.51847006 Ni 8.98988396 6.44005433 0.01008911 21.58421402 -23.37477450 -19.76809787 Ni 8.96269202 5.14831535 1.30081201 61.62273909 -7.02397601 110.52454912 Ni 7.67818696 6.43470090 1.28195073 -52.29226033 -18.67012316 121.50985404 Ni 0.02514123 7.70567695 0.02751645 -16.99563666 -78.19487319 -18.74522353 Ni 1.26458451 8.96894575 0.00261393 77.15711760 24.11531480 -22.67230507 Ni 1.28320198 7.71082149 1.25894772 61.00523744 -92.31521082 94.73662760 Ni 0.03291945 8.95278808 1.26353224 -19.10878845 10.86905602 77.02980421 Ni 2.54676161 7.71253552 0.02160860 12.90078164 -121.76005303 -46.80571341 Ni 3.85392091 8.96610927 0.00840008 12.35915426 16.58779825 -12.44099408 Ni 3.87220500 7.69125853 1.27897227 -86.22512818 -66.36359544 56.43905805 Ni 2.54053042 8.95425290 1.27160821 10.92445911 40.10588315 116.96262628 Ni 5.12351287 7.71227023 0.00337370 -3.90111353 -128.50064332 -65.97565981 Ni 6.39202132 8.97517701 0.03473971 -21.00733914 26.26461581 -33.29628653 Ni 6.38341328 7.71134939 1.29958013 62.29689641 -124.09346242 41.13802180 Ni 5.13372269 8.98067905 1.27738787 -36.44345615 78.24940775 119.37261838 Ni 7.68153587 7.66916501 0.02159839 -97.65460346 -89.39501831 -86.96196425 Ni 8.97322663 8.96152025 0.02654452 -25.70312705 -24.15399598 24.37453099 Ni 8.96941368 7.71826302 1.27511636 84.79676579 -83.05215333 93.60555441 Ni 7.69696151 8.98773093 1.26104766 -84.29812082 96.13013541 103.08078513 Ni 0.03279410 0.01309957 2.56115775 -40.56134609 -39.47360750 16.98337271 Ni 1.27126633 1.27524467 2.56078232 108.96804553 93.37502280 -13.69882338 Ni 1.28399055 0.00960447 3.82850469 146.11708662 -59.30623309 23.01663845 Ni 0.01044931 1.29102452 3.84930051 -61.91603403 129.97376391 25.11952958 Ni 2.57187760 0.00796131 2.52973875 -7.46141000 -35.20340304 27.66971608 Ni 3.84675350 1.29166846 2.56108441 -78.53777377 -8.24917964 -65.24566976 Ni 3.83313384 0.01754085 3.83546185 20.75266749 -120.76400837 36.91518606 Ni 2.54965703 1.29196458 3.82290084 -37.23529679 -30.63411033 132.39921901 Ni 5.11276720 0.00076096 2.56775247 7.42638386 -73.32068712 -3.80494235 Ni 6.40251642 1.29570924 2.56131712 80.89026474 27.14509530 -62.06699602 Ni 6.42006913 0.02290568 3.85451412 -8.61694754 -95.59158170 8.26525240 Ni 5.13982926 1.27973395 3.86995167 -84.75629417 42.47362585 -95.03839264 Ni 7.69600469 0.02094466 2.56111969 -105.87798406 -42.30141987 16.18692039 Ni 8.99504832 1.29635816 2.54654922 35.23635017 101.20510743 8.22111960 Ni 8.97376381 0.00507137 3.85760856 2.44398790 -16.45033482 -5.26558053 Ni 7.70343881 1.29641038 3.83166795 -109.05076544 49.97608720 33.68772582 Ni 0.01304310 2.56199348 2.54049912 -52.99084858 0.10493262 31.06542001 Ni 1.27221212 3.86492201 2.58681917 56.83338814 -122.21100753 -164.03364911 Ni 1.27234640 2.55660891 3.87160509 68.03997984 -65.32160022 -70.55074951 Ni 0.02011153 3.82870145 3.84031742 -128.91863272 48.40442794 43.96719315 Ni 2.54767152 2.52943228 2.55991867 -50.95732869 75.71376644 -117.29507100 Ni 3.86911202 3.86874016 2.56938918 -235.78410598 -113.31787703 -251.91509119 Ni 3.82205413 2.58560872 3.83546391 191.01641275 -353.65221509 122.08172313 Ni 2.57571366 3.83310298 3.83385826 -241.70443524 121.12184408 171.62399891 Ni 5.11362469 2.55343754 2.56544277 80.80455269 -31.99033535 -162.16760865 Ni 6.40962713 3.82776545 2.58069096 129.11606769 137.27011596 -306.67731550 Ni 6.40014725 2.56186297 3.84408074 202.47124906 -233.07256067 35.51166715 Ni 5.11040699 3.86891487 3.82370540 75.54770219 -166.45345419 200.39941658 Ni 7.67244726 2.55312873 2.56517156 17.65210721 -27.61529583 -93.77729713 Ni 8.98727436 3.84613986 2.55849178 79.56990054 19.63377643 23.09562097 Ni 8.97991625 2.55265647 3.83668385 87.87445383 -0.68106609 22.69801248 Ni 7.68105970 3.83427747 3.86543800 47.67951885 31.52188408 -73.68061849 Ni 0.00034549 5.12834204 2.57269388 -102.36901227 -3.54398892 21.35628592 Ni 1.26617934 6.40863148 2.58492182 132.90636721 38.60780217 -136.28079218 Ni 1.30072331 5.11611521 3.83434424 -69.20524319 70.45106886 74.93785890 Ni 0.00842444 6.43460397 3.83685731 -97.89284752 -45.11353893 25.21490154 Ni 2.56168224 5.14311651 2.56485693 -139.07820920 -75.95419705 -100.67838889 Ni 3.82458953 6.39982537 2.57013533 144.80548894 259.58195360 -205.38361353 Ni 3.87211688 5.15376038 3.84824874 -184.49999632 -152.73535392 -9.89768416 Ni 2.58447250 6.40968840 3.87236652 -265.86520966 232.00423072 -159.72949652 Ni 5.10917618 5.14221466 2.55520875 109.82082016 -117.06991879 -120.96709862 Ni 6.39155843 6.39009721 2.56768366 287.14902635 327.83118205 -165.00459050 Ni 6.38726297 5.11889661 3.83146174 354.30940710 32.48210445 99.40053318 Ni 5.13487311 6.39867501 3.85394033 -75.39211950 304.83739339 -59.70276490 Ni 7.71035071 5.15357691 2.56568288 -101.92646231 -119.95510346 -46.44939018 Ni 8.98713050 6.38998469 2.57006636 46.55879190 32.14968133 1.76994912 Ni 8.95166123 5.11489407 3.88470834 148.93604968 -10.85278225 -19.97062084 Ni 7.68821351 6.41106552 3.83670448 22.58667654 51.64348048 54.65959070 Ni 0.00495169 7.69943467 2.56741448 -38.29307369 -114.01602207 -8.63220781 Ni 1.26559874 8.99533452 2.58615058 130.96049428 42.28366715 0.47846195 Ni 1.27048762 7.68576654 3.83672374 130.99122345 -46.10332499 33.90065962 Ni 0.02107947 8.97054212 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