108 Lattice="10.316758250713612 0.0 0.0 0.0 10.316758250713612 0.0 0.0 0.0 10.316758250713612" Properties=species:S:1:pos:R:3:forces:R:3 energy=-302.0363509354559 stress="-37367.99395206166 -38651.240779564265 19866.45528975805 -38651.240779564265 -1985.2475221777931 -927.0036580640408 19866.45528975805 -927.0036580640408 -17264.34263984865" pbc="F F F" Ni -0.00701047 0.00644634 0.04951635 0.63736702 0.45720160 0.43053571 Ni 1.74550088 1.74264206 0.04176736 -0.22583201 -0.06637385 -0.42566974 Ni 1.74037178 -0.01805179 1.74101321 -94.37053611 -93.47541147 -1.06545115 Ni 0.03008383 1.66571788 1.72622591 -0.51828031 0.46813515 -0.12336954 Ni 3.41412867 0.00090179 0.04865742 -2545.72375568 2799.97754478 5297.82459187 Ni 5.19393181 1.73902704 -0.01158371 -0.28916371 -0.20559151 -0.16462091 Ni 5.15803205 0.00273647 1.71413299 970.76084811 953.27713779 -4.71567019 Ni 3.42004461 1.68025241 1.75692132 0.63266361 21.48806420 19.53841870 Ni 6.86227079 0.00958693 0.02542569 5.55425800 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Ni -0.02919664 0.00015617 3.44300026 2571.94634728 -867.92920272 -3420.12439311 Ni 1.72723140 1.70071707 3.39775776 -0.11171263 0.12839830 0.76673848 Ni 1.73032329 -0.00611792 5.18547674 2519.97676313 29.05383281 2491.24903539 Ni -0.01229147 1.73636185 5.14831583 -0.23010445 -0.26177659 0.25847760 Ni 3.43020539 0.00728861 3.41136849 -7591.19604966 10892.34961614 -3217.07764861 Ni 5.14054176 1.71016534 3.42784635 1321.80205330 -1333.21895479 -11.59457334 Ni 5.09982381 -0.02681179 5.14182839 -4.18023740 4.74763890 -0.17780348 Ni 3.46591686 1.73928125 5.20080506 -0.37072075 -0.15846850 -0.75912077 Ni 6.92369376 0.03375895 3.40519639 -0.79296076 12.06929701 -12.44908455 Ni 8.61943429 1.69272998 3.42705776 0.52188788 0.26294047 0.03659307 Ni 8.54833389 0.01458044 5.17151502 -21.02359474 21.21072495 -0.10441467 Ni 6.86348343 1.69726480 5.17633588 3450.44879860 -4819.98039986 1402.22010450 Ni 0.00215529 3.41756948 3.45318853 7612.81594892 -6331.40916190 -1342.11834534 Ni 1.73723505 5.14377588 3.45828165 -3848.20790671 1803.52774472 2087.32609938 Ni 1.73089769 3.43570438 5.15399488 -4469.73925210 -1258.99805321 -3208.29126489 Ni -0.01831438 5.11580264 5.13742500 -0.43389229 0.33359735 0.49593394 Ni 3.45342729 3.44644002 3.44050313 849.76977391 -273.15347712 -4376.46442925 Ni 5.20065500 5.10056555 3.42297503 20.99417901 914.27910096 -933.78121312 Ni 5.14497384 3.44419905 5.16016250 24.46529331 -610.15496981 -439.05859756 Ni 3.46844803 5.14201319 5.12661904 -9923.23023836 7935.45789519 1939.65542618 Ni 6.87959860 3.41652346 3.46277066 -5.16154780 -1087.53064900 -1097.41946804 Ni 8.60059703 5.18455164 3.41777143 443.04607781 5.87437792 433.75121318 Ni 8.61500664 3.38750708 5.13141754 0.48653622 0.41810895 0.19324065 Ni 6.83445869 5.14023481 5.18670431 -6.71383521 436.67276767 -433.25350282 Ni -0.01662693 6.85547703 3.48586078 -0.06354134 0.15507222 -0.38814755 Ni 1.75815975 8.58705774 3.42256574 -77.77906856 1359.21363942 1446.52444826 Ni 1.74191583 6.89018547 5.19273949 20.12890131 3700.35404416 -3677.69257757 Ni 0.04560105 8.57256122 5.22018265 -0.09893284 0.09502800 -0.35886751 Ni 3.43364484 6.87135625 3.46325955 1835.95627476 -9.46789726 1832.28183899 Ni 5.21421494 8.62622726 3.45949159 -0.73623518 0.76253677 -0.28379847 Ni 5.12767653 6.87940150 5.17660326 4119.87533923 1245.02551071 -2877.00271540 Ni 3.42482189 8.58103010 5.19717272 18.40632176 -1820.31808043 1833.09750892 Ni 6.86126343 6.87968362 3.45779437 -2529.19145404 -2547.94306828 -12.95207644 Ni 8.62654147 8.59940170 3.42458473 -0.39535753 -0.47687561 -0.10351785 Ni 8.57889607 6.86491951 5.20818945 0.45738986 0.04266354 -0.12501064 Ni 6.93545809 8.60449298 5.17304522 -0.32198980 0.29513231 0.05778769 Ni -0.02857283 0.02294572 6.89491836 -10.91580803 -1231.39995524 1248.62944967 Ni 1.77519736 1.70971471 6.86128356 4.19269063 -461.28043880 457.68515592 Ni 1.68317418 0.00610743 8.55406475 -0.11491301 2.21897156 -1.82682710 Ni -0.01313513 1.69364788 8.61835561 0.36287097 0.31943877 -0.46547350 Ni 3.42310808 0.00080380 6.90024739 0.07575818 -0.80853055 -0.11633430 Ni 5.12207975 1.72039303 6.87797115 -20.53729079 -913.26817337 933.26381835 Ni 5.16943893 0.03453594 8.58523053 -2520.69544245 39.06791373 -2560.95403918 Ni 3.47084521 1.72647500 8.62519495 1310.19351106 -11.31950485 -1331.82371108 Ni 6.86281640 0.00680322 6.86196079 -0.02679821 -0.52987968 -0.19347674 Ni 8.59582641 1.70468473 6.83240901 0.42796713 0.19199319 0.32340546 Ni 8.58797003 -0.01842127 8.54854964 -0.36332746 0.47371919 -0.53894133 Ni 6.89252172 1.70661347 8.59331593 7.59315622 -436.00104067 433.26348328 Ni -0.00481304 3.39872155 6.88142596 6.16520370 868.83727614 878.95425580 Ni 1.71412106 5.19379337 6.85160446 -0.22264291 -0.47407358 0.18254678 Ni 1.72290577 3.45765859 8.60349673 -4367.72785557 -8088.10023379 3747.40144126 Ni -0.01630236 5.15722380 8.59617137 0.18342052 0.11496850 -0.40843565 Ni 3.41318440 3.45515213 6.86282115 -5344.99664478 -5275.04003077 -29.00586470 Ni 5.18634075 5.17691664 6.89981701 -0.47195627 -0.22029951 -0.43473835 Ni 5.17770330 3.44384414 8.54931545 3249.42976952 7.59272894 3201.74463489 Ni 3.45887065 5.17217831 8.62738969 243.68608574 2087.81475694 -1832.90226245 Ni 6.90063347 3.48935435 6.82970654 1623.11156252 49.31756614 1626.44147848 Ni 8.59307962 5.16679505 6.93287561 0.76746028 -0.25674154 -0.62102917 Ni 8.57434903 3.38999827 8.61019147 0.07026795 0.00250052 -0.28898412 Ni 6.90682837 5.11801469 8.57822876 -0.03931546 0.49197336 0.93054944 Ni 0.03142283 6.89027291 6.85660412 -0.82434495 -0.39135287 0.25751500 Ni 1.66981594 8.60065635 6.92267993 0.55867076 0.44614726 0.12062679 Ni 1.70157800 6.87815726 8.59395970 -2892.16423854 -1.05668537 2885.27423480 Ni -0.00110261 8.58749234 8.62112137 0.44780516 -0.56206712 -0.49744568 Ni 3.42537388 6.84564456 6.84872711 30.82876796 -29.31732329 0.19494479 Ni 5.20243581 8.59666555 6.92487438 -0.15053116 0.65413823 -0.55376229 Ni 5.12812738 6.89444752 8.54901883 4344.72340661 4905.89819166 441.27925718 Ni 3.43537257 8.62123230 8.61019333 -0.25217788 -0.27840696 -0.38265744 Ni 6.85705354 6.85403904 6.88158682 3509.90770167 5285.02593104 -1803.77168062 Ni 8.57744320 8.60438886 6.91048654 -0.30210120 -0.34854512 -0.02594811 Ni 8.59351795 6.83703285 8.57519876 -0.30089344 0.31063288 -0.07525146 Ni 6.85236337 8.61596761 8.61910335 -262.10659370 -266.66040828 0.31941151