500 Lattice="17.465844838794226 0.0 0.0 0.0 17.465844838794226 0.0 0.0 0.0 17.465844838794226" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2040.7369749380366 stress="-0.007260756567121128 6.976332169759161e-05 0.00015242448960378012 6.976332169759161e-05 -0.007039261706177393 0.00011650074104796732 0.00015242448960378012 0.00011650074104796732 -0.007230748030662277" free_energy=-2040.7369749380366 pbc="F F F" Ni 0.00176106 0.02291757 0.00998124 0.61997986 0.59181436 0.62393604 Ni 1.74834779 1.74168333 0.02459119 -0.09617090 -0.12833820 -0.14781145 Ni 1.71379272 0.00692482 1.77481629 0.18597768 -0.28155774 -0.59335803 Ni 0.00177232 1.72891553 1.75718946 -0.27031003 0.13976610 -0.23258652 Ni 3.50973332 0.00498182 0.01937808 -0.14512765 0.25492095 0.34861435 Ni 5.25664601 1.72693669 0.01248122 -0.27432084 0.19226936 -0.31779814 Ni 5.27040502 0.01987593 1.73852798 -0.24644377 -0.45967998 -0.03067517 Ni 3.49927054 1.73932014 1.74114733 -0.09361623 0.27887309 0.11092747 Ni 6.97112828 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3.48705735 0.00185127 -0.12743775 -0.01098079 -0.25812195 Ni 15.68841816 5.22676639 0.00697571 -0.04172759 0.08048846 0.22338230 Ni 15.74331079 3.47652673 1.71243091 0.17554685 0.33008231 0.30117473 Ni 13.98507529 5.20829683 1.74996919 -0.15355001 0.09368306 0.29271044 Ni 0.00707483 6.96387452 0.00564382 0.22423735 0.23678858 0.05851036 Ni 1.72128649 8.76540985 0.00194874 0.24364640 -0.31253215 -0.07258428 Ni 1.71204281 6.98294741 1.76492545 0.44415277 0.01965380 -0.37294490 Ni 0.01074644 8.69979480 1.74508567 -0.33289634 0.24204819 -0.01295859 Ni 3.48231505 6.97888019 0.01416117 -0.12820939 0.11883947 -0.13054099 Ni 5.26297926 8.70535915 0.01901420 -0.13301366 0.20333429 -0.14745416 Ni 5.27436055 6.97652102 1.72482974 -0.35104306 0.13684010 0.19243286 Ni 3.46934784 8.70859450 1.77151319 0.28131939 0.26303876 -0.43035658 Ni 7.04279330 6.95853825 0.03200070 -0.18861608 0.33463639 -0.39766740 Ni 8.76227326 8.70001441 0.01486052 -0.52126482 0.22062773 -0.15568565 Ni 8.75653312 6.98887871 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15.71565432 10.43011961 1.71553956 0.32973792 0.17221572 0.27459654 Ni 13.99764424 12.24406396 1.72962283 -0.47653217 -0.28621117 0.24710554 Ni 0.01759787 13.94528272 0.02650013 0.16564531 0.17555496 0.27143402 Ni 1.75024826 15.71714781 0.00009235 -0.09502068 -0.34275475 0.30313088 Ni 1.72420571 13.99505525 1.72335765 0.32143162 -0.01595186 0.19338841 Ni 0.02362655 15.71523079 1.74219700 0.22171681 -0.26008801 -0.09423435 Ni 3.48947663 13.98990798 0.00236418 0.09151257 -0.01774994 -0.16609501 Ni 5.23996987 15.73278297 0.02981356 0.05138161 -0.31774823 0.21768896 Ni 5.23680167 14.00109345 1.77314176 -0.19490853 -0.26923298 -0.30476745 Ni 3.49131550 15.71431725 1.72837578 -0.09970975 0.19038977 0.19902620 Ni 6.96696803 13.95187315 0.02698969 -0.11850335 0.26854748 -0.43375667 Ni 8.74385896 15.71422672 0.02298095 -0.04394826 -0.32792408 0.12298394 Ni 8.70202889 13.95545097 1.73016348 0.40857134 0.33848674 0.21543888 Ni 7.01376917 15.73193205 1.72648080 -0.08185371 0.16114744 0.07015142 Ni 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12.23859655 3.46042613 5.22284932 -0.29402620 0.50049412 0.43869333 Ni 10.47488126 5.24426336 5.22051242 0.33486502 -0.00061211 0.33600684 Ni 13.94170791 3.46088574 3.49881544 0.51103666 0.53499754 -0.25875001 Ni 15.73462541 5.26793693 3.49852466 -0.02853152 -0.29777733 -0.03950090 Ni 15.70640654 3.47511464 5.21050661 0.13853896 0.19575807 0.08975398 Ni 13.94886772 5.27007310 5.21034556 0.42710705 -0.33619678 0.26152964 Ni 0.02453890 7.00950903 3.52480079 -0.66040170 -0.15465265 -0.16600913 Ni 1.76066524 8.70333099 3.49434252 -0.02818028 0.39829547 -0.02913585 Ni 1.73055470 7.01698695 5.22136230 0.50673697 -0.37947391 0.24742869 Ni 0.02027622 8.77930966 5.21370074 -0.23433597 -0.26506079 0.49307187 Ni 3.52476423 6.97898106 3.46267531 -0.14006809 0.08074282 0.38904806 Ni 5.27318795 8.75352442 3.46567313 -0.46564499 -0.39332674 0.20266624 Ni 5.26722115 7.01294410 5.21586424 -0.40219540 -0.28262331 0.31906659 Ni 3.48866220 8.73375772 5.20741371 0.27468083 -0.18835028 0.22081128 Ni 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13.95526481 0.52493356 -0.42018620 0.17938992 Ni 5.24964218 3.51030112 15.70826085 -0.14445826 -0.11900432 0.08238017 Ni 3.49750392 5.26566200 15.68317088 -0.26476603 -0.28641000 0.20606888 Ni 7.00831473 3.49761046 13.96982923 -0.45890315 0.08793033 0.03793660 Ni 8.71196288 5.26608812 13.98572293 0.25118051 -0.49127947 -0.22154450 Ni 8.71021258 3.52276574 15.74093284 0.36429523 -0.37341634 0.06178113 Ni 7.01235354 5.21249467 15.73227321 -0.48046730 0.32070817 0.16370142 Ni 10.51440741 3.46775651 14.00113729 -0.54931676 0.36518779 -0.27146223 Ni 12.25983067 5.21506100 13.94575816 -0.33649710 0.24454937 0.24779542 Ni 12.26046642 3.50107212 15.71141113 -0.22643259 -0.02644931 0.43113401 Ni 10.48990441 5.26666611 15.68904100 0.20916711 -0.22569729 0.19131317 Ni 13.96704135 3.52242177 13.99423998 0.36226761 -0.31050114 -0.19072807 Ni 15.72489821 5.27120062 13.96755575 0.28282112 -0.33823824 0.13133796 Ni 15.74103544 3.47189658 15.70588699 -0.35209934 0.20878200 -0.23271820 Ni 13.98648400 5.23206048 15.75219390 0.16943349 0.12387378 0.01251679 Ni 0.02953770 6.95737262 13.96335448 -0.15688282 0.25800477 0.35116272 Ni 1.75938072 8.76782518 13.98105051 -0.11904457 -0.69161063 -0.16616247 Ni 1.74991575 6.98974912 15.73051497 -0.15099752 -0.09540026 -0.08805672 Ni 0.03040347 8.76689570 15.69100688 0.04484373 -0.32249493 -0.20504567 Ni 3.52345339 7.01585783 13.96198471 -0.82706649 -0.18361953 -0.19226287 Ni 5.23512852 8.72114387 13.96079245 0.19382355 0.25527903 0.13161267 Ni 5.22714814 7.00284632 15.69470278 0.34007387 -0.09257245 0.41951890 Ni 3.47547129 8.70803993 15.70121976 0.12819321 0.25323807 0.45115585 Ni 6.99831413 6.96003961 13.99713224 -0.17270426 0.38780888 -0.18136396 Ni 8.73385352 8.70068568 13.97687902 -0.31744552 0.06300179 -0.22999906 Ni 8.75441772 6.95536649 15.72988959 -0.19848984 0.25595097 0.27079762 Ni 7.00819997 8.76142365 15.72413129 -0.25553133 -0.32036315 0.10728046 Ni 10.47628257 6.97731983 13.94130299 0.21358648 0.21717521 0.39503260 Ni 12.21775193 8.75610912 13.99961102 0.17543975 -0.34685271 -0.33927939 Ni 12.25974943 7.00655136 15.70433193 -0.12572089 -0.22240922 0.03117466 Ni 10.45520821 8.71577533 15.69327092 0.21735051 0.05884868 0.35345070 Ni 14.00324517 6.95262997 13.94830121 -0.24711901 0.55347505 0.20936891 Ni 15.71602417 8.74886403 14.00212150 0.08661092 -0.12924254 -0.19681293 Ni 15.71977002 6.98916691 15.69645850 -0.33361885 0.04970163 -0.15030352 Ni 13.96683485 8.75259952 15.73555308 0.23848632 -0.19365330 0.08158096 Ni 0.01683086 10.47035360 13.95099280 -0.30908030 0.34777116 0.08179358 Ni 1.76016548 12.19904520 13.96679109 -0.21866715 0.15682195 -0.06628947 Ni 1.72036751 10.46225545 15.71429079 0.12979952 0.31477858 0.32068482 Ni 0.00948155 12.25769529 15.74517237 0.40858389 -0.17573278 -0.43969418 Ni 3.49403607 10.44917706 13.98553237 0.22003271 0.31662126 -0.24256491 Ni 5.23485734 12.24562930 13.94364717 -0.16820978 -0.11481297 0.29278539 Ni 5.22025847 10.50243902 15.71733351 0.11467526 -0.08953168 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