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:Z:I:1:forces:R:3 energy=-302.0363509354564 pbc="F F F" Ni -0.00701047 0.00644634 0.04951635 28 0.63736702 0.45720160 0.43053571 Ni 1.74550088 1.74264206 0.04176736 28 -0.22583201 -0.06637385 -0.42566974 Ni 1.74037178 -0.01805179 1.74101321 28 -94.37053611 -93.47541147 -1.06545115 Ni 0.03008383 1.66571788 1.72622591 28 -0.51828031 0.46813515 -0.12336954 Ni 3.41412867 0.00090179 0.04865742 28 -2545.72375568 2799.97754478 5297.82459187 Ni 5.19393181 1.73902704 -0.01158371 28 -0.28916371 -0.20559151 -0.16462091 Ni 5.15803205 0.00273647 1.71413299 28 970.76084811 953.27713779 -4.71567019 Ni 3.42004461 1.68025241 1.75692132 28 0.63266361 21.48806420 19.53841870 Ni 6.86227079 0.00958693 0.02542569 28 5.55425800 1087.64474273 1097.37855606 Ni 8.59543995 1.74525229 0.03373498 28 98.72452789 -97.35724761 0.01627144 Ni 8.61731704 0.01626994 1.72861238 28 -0.15390777 0.11389124 -0.13810291 Ni 6.92354472 1.72076954 1.70768241 28 -0.53519147 -0.01571903 0.13423491 Ni 0.02189964 3.49945653 0.01527600 28 0.09613548 -0.55209944 0.27825842 Ni 1.72242018 5.16130338 0.00638909 28 -14.29517811 -1358.70694576 -1355.77326648 Ni 1.72942266 3.44477237 1.77385066 28 -0.14882511 -0.19391109 -0.53910471 Ni 0.00174200 5.18357229 1.69410199 28 -0.34550600 0.17138029 0.47512670 Ni 3.44193565 3.43654180 0.00281797 28 -11.43060657 -3330.69209900 3309.89070472 Ni 5.14907277 5.13260176 0.03057621 28 1980.75446502 82.43012646 -2968.03859138 Ni 5.17800064 3.37795532 1.77155002 28 92.25918352 92.96378431 1.79870494 Ni 3.43650179 5.12842327 1.71354654 28 -0.01397787 0.33326957 0.55181531 Ni 6.86047078 3.47651273 0.01555894 28 -6.04727279 -13.30301983 18.55407846 Ni 8.60041251 5.18600413 0.01575925 28 -2508.31959527 2499.66569984 -8.75476483 Ni 8.61026653 3.39452788 1.69758344 28 -970.25831410 -953.13148123 5.03398384 Ni 6.87326831 5.17019716 1.68892959 28 5111.92607561 42.21479578 -5160.52736852 Ni -0.00195890 6.89367348 -0.01469387 28 0.12493367 -0.21844424 0.19294036 Ni 1.71132002 8.55452515 -0.02944992 28 0.33058780 -0.04699238 0.06948240 Ni 1.71315075 6.92071578 1.69589992 28 -0.02819655 -0.81479514 0.53232501 Ni 0.05119427 8.59310690 1.67952417 28 -0.03810100 -0.21374257 0.34859894 Ni 3.42332113 6.82298812 0.02313029 28 0.15808700 0.57865274 -0.62530539 Ni 5.17369614 8.60079183 0.00422936 28 2599.59274667 -2499.27427277 -82.95303579 Ni 5.15785787 6.86695542 1.72012071 28 0.00928051 0.35645364 0.48721558 Ni 3.41495915 8.57974330 1.72703559 28 49.71622407 -3166.57601240 3131.66094325 Ni 6.83293957 6.90019076 -0.00566505 28 0.30654702 -0.15826515 -0.34215198 Ni 8.59321124 8.54470196 -0.03200604 28 -0.46665034 -0.48941715 0.52974223 Ni 8.61569863 6.84440043 1.68745375 28 0.01705093 0.58194638 0.30535346 Ni 6.91133963 8.61291778 1.68495072 28 -0.02454607 -0.02477497 0.44136981 Ni -0.02919664 0.00015617 3.44300026 28 2571.94634728 -867.92920272 -3420.12439311 Ni 1.72723140 1.70071707 3.39775776 28 -0.11171263 0.12839830 0.76673848 Ni 1.73032329 -0.00611792 5.18547674 28 2519.97676313 29.05383281 2491.24903539 Ni -0.01229147 1.73636185 5.14831583 28 -0.23010445 -0.26177659 0.25847760 Ni 3.43020539 0.00728861 3.41136849 28 -7591.19604966 10892.34961614 -3217.07764861 Ni 5.14054176 1.71016534 3.42784635 28 1321.80205330 -1333.21895479 -11.59457334 Ni 5.09982381 -0.02681179 5.14182839 28 -4.18023740 4.74763890 -0.17780348 Ni 3.46591686 1.73928125 5.20080506 28 -0.37072075 -0.15846850 -0.75912077 Ni 6.92369376 0.03375895 3.40519639 28 -0.79296076 12.06929701 -12.44908455 Ni 8.61943429 1.69272998 3.42705776 28 0.52188788 0.26294047 0.03659307 Ni 8.54833389 0.01458044 5.17151502 28 -21.02359474 21.21072495 -0.10441467 Ni 6.86348343 1.69726480 5.17633588 28 3450.44879860 -4819.98039986 1402.22010450 Ni 0.00215529 3.41756948 3.45318853 28 7612.81594892 -6331.40916190 -1342.11834534 Ni 1.73723505 5.14377588 3.45828165 28 -3848.20790671 1803.52774472 2087.32609938 Ni 1.73089769 3.43570438 5.15399488 28 -4469.73925210 -1258.99805321 -3208.29126489 Ni -0.01831438 5.11580264 5.13742500 28 -0.43389229 0.33359735 0.49593394 Ni 3.45342729 3.44644002 3.44050313 28 849.76977391 -273.15347712 -4376.46442925 Ni 5.20065500 5.10056555 3.42297503 28 20.99417901 914.27910096 -933.78121312 Ni 5.14497384 3.44419905 5.16016250 28 24.46529331 -610.15496981 -439.05859756 Ni 3.46844803 5.14201319 5.12661904 28 -9923.23023836 7935.45789519 1939.65542618 Ni 6.87959860 3.41652346 3.46277066 28 -5.16154780 -1087.53064900 -1097.41946804 Ni 8.60059703 5.18455164 3.41777143 28 443.04607781 5.87437792 433.75121318 Ni 8.61500664 3.38750708 5.13141754 28 0.48653622 0.41810895 0.19324065 Ni 6.83445869 5.14023481 5.18670431 28 -6.71383521 436.67276767 -433.25350282 Ni -0.01662693 6.85547703 3.48586078 28 -0.06354134 0.15507222 -0.38814755 Ni 1.75815975 8.58705774 3.42256574 28 -77.77906856 1359.21363942 1446.52444826 Ni 1.74191583 6.89018547 5.19273949 28 20.12890131 3700.35404416 -3677.69257757 Ni 0.04560105 8.57256122 5.22018265 28 -0.09893284 0.09502800 -0.35886751 Ni 3.43364484 6.87135625 3.46325955 28 1835.95627476 -9.46789726 1832.28183899 Ni 5.21421494 8.62622726 3.45949159 28 -0.73623518 0.76253677 -0.28379847 Ni 5.12767653 6.87940150 5.17660326 28 4119.87533923 1245.02551071 -2877.00271540 Ni 3.42482189 8.58103010 5.19717272 28 18.40632176 -1820.31808043 1833.09750892 Ni 6.86126343 6.87968362 3.45779437 28 -2529.19145404 -2547.94306828 -12.95207644 Ni 8.62654147 8.59940170 3.42458473 28 -0.39535753 -0.47687561 -0.10351785 Ni 8.57889607 6.86491951 5.20818945 28 0.45738986 0.04266354 -0.12501064 Ni 6.93545809 8.60449298 5.17304522 28 -0.32198980 0.29513231 0.05778769 Ni -0.02857283 0.02294572 6.89491836 28 -10.91580803 -1231.39995524 1248.62944967 Ni 1.77519736 1.70971471 6.86128356 28 4.19269063 -461.28043880 457.68515592 Ni 1.68317418 0.00610743 8.55406475 28 -0.11491301 2.21897156 -1.82682710 Ni -0.01313513 1.69364788 8.61835561 28 0.36287097 0.31943877 -0.46547350 Ni 3.42310808 0.00080380 6.90024739 28 0.07575818 -0.80853055 -0.11633430 Ni 5.12207975 1.72039303 6.87797115 28 -20.53729079 -913.26817337 933.26381835 Ni 5.16943893 0.03453594 8.58523053 28 -2520.69544245 39.06791373 -2560.95403918 Ni 3.47084521 1.72647500 8.62519495 28 1310.19351106 -11.31950485 -1331.82371108 Ni 6.86281640 0.00680322 6.86196079 28 -0.02679821 -0.52987968 -0.19347674 Ni 8.59582641 1.70468473 6.83240901 28 0.42796713 0.19199319 0.32340546 Ni 8.58797003 -0.01842127 8.54854964 28 -0.36332746 0.47371919 -0.53894133 Ni 6.89252172 1.70661347 8.59331593 28 7.59315622 -436.00104067 433.26348328 Ni -0.00481304 3.39872155 6.88142596 28 6.16520370 868.83727614 878.95425580 Ni 1.71412106 5.19379337 6.85160446 28 -0.22264291 -0.47407358 0.18254678 Ni 1.72290577 3.45765859 8.60349673 28 -4367.72785557 -8088.10023379 3747.40144126 Ni -0.01630236 5.15722380 8.59617137 28 0.18342052 0.11496850 -0.40843565 Ni 3.41318440 3.45515213 6.86282115 28 -5344.99664478 -5275.04003077 -29.00586470 Ni 5.18634075 5.17691664 6.89981701 28 -0.47195627 -0.22029951 -0.43473835 Ni 5.17770330 3.44384414 8.54931545 28 3249.42976952 7.59272894 3201.74463489 Ni 3.45887065 5.17217831 8.62738969 28 243.68608574 2087.81475694 -1832.90226245 Ni 6.90063347 3.48935435 6.82970654 28 1623.11156252 49.31756614 1626.44147848 Ni 8.59307962 5.16679505 6.93287561 28 0.76746028 -0.25674154 -0.62102917 Ni 8.57434903 3.38999827 8.61019147 28 0.07026795 0.00250052 -0.28898412 Ni 6.90682837 5.11801469 8.57822876 28 -0.03931546 0.49197336 0.93054944 Ni 0.03142283 6.89027291 6.85660412 28 -0.82434495 -0.39135287 0.25751500 Ni 1.66981594 8.60065635 6.92267993 28 0.55867076 0.44614726 0.12062679 Ni 1.70157800 6.87815726 8.59395970 28 -2892.16423854 -1.05668537 2885.27423480 Ni -0.00110261 8.58749234 8.62112137 28 0.44780516 -0.56206712 -0.49744568 Ni 3.42537388 6.84564456 6.84872711 28 30.82876796 -29.31732329 0.19494479 Ni 5.20243581 8.59666555 6.92487438 28 -0.15053116 0.65413823 -0.55376229 Ni 5.12812738 6.89444752 8.54901883 28 4344.72340661 4905.89819166 441.27925718 Ni 3.43537257 8.62123230 8.61019333 28 -0.25217788 -0.27840696 -0.38265744 Ni 6.85705354 6.85403904 6.88158682 28 3509.90770167 5285.02593104 -1803.77168062 Ni 8.57744320 8.60438886 6.91048654 28 -0.30210120 -0.34854512 -0.02594811 Ni 8.59351795 6.83703285 8.57519876 28 -0.30089344 0.31063288 -0.07525146 Ni 6.85236337 8.61596761 8.61910335 28 -262.10659370 -266.66040828 0.31941151