108 Lattice="10.53538894296151 0.0 0.0 0.0 10.53538894296151 0.0 0.0 0.0 10.53538894296151" Properties=species:S:1:pos:R:3:forces:R:3 energy=-384.66922508055626 stress="-0.008314355495171418 0.0003643738218553024 -0.00042089965742189646 0.0003643738218553024 -0.008457943457922681 8.569239950595664e-05 -0.00042089965742189646 8.569239950595664e-05 -0.008190426884517911" free_energy=-384.66922508055626 pbc="F F F" Fe 0.02670313 0.01709646 0.01553978 1.02219863 1.00328951 0.97737238 Fe 1.78367890 1.77329752 0.02525992 -0.54680934 -0.34481217 -0.50768125 Fe 1.77812271 0.01244895 1.72870099 -0.51595994 -0.54875084 -0.05806146 Fe 0.01695859 1.75619541 1.78152756 -0.55576226 -0.38916922 -0.59669510 Fe 3.48940548 0.00691261 0.03270603 0.10401625 0.40025059 0.19976433 Fe 5.23988850 1.79001815 0.02349542 0.11737015 -0.56207168 -0.58328860 Fe 5.29275354 0.01354507 1.71725669 -0.31124649 -0.42972422 -0.00227574 Fe 3.49126108 1.77770278 1.78768737 0.16320712 -0.19497664 -0.24815108 Fe 6.98961540 0.03324324 0.02760569 0.49756719 0.56616447 0.34377392 Fe 8.81239986 1.74970900 0.03374423 -0.62258276 -0.20157820 0.58884318 Fe 8.75816835 0.02866656 1.77602395 -0.49397210 0.45436277 -0.16733889 Fe 7.05001941 1.75538401 1.75787444 0.26737867 -0.14232592 -0.17184632 Fe 0.02182430 3.50453830 0.03483954 0.16813795 -0.11565098 0.31119833 Fe 1.73244829 5.24596963 0.02181268 -0.18859889 0.02702799 -0.60835994 Fe 1.73138290 3.54078647 1.77504979 0.08652213 -0.22608809 -0.30295313 Fe 0.00976045 5.26556333 1.78881446 -0.66798679 0.10793280 -0.51726473 Fe 3.53520555 3.48477053 0.01703133 -0.27850746 0.25303763 -0.61858856 Fe 5.29987978 5.23922803 0.02093640 -0.08738236 0.11752648 -0.63174346 Fe 5.29898820 3.49245046 1.75284126 -0.20096313 0.14220130 0.44651016 Fe 3.50223520 5.21901559 1.73193258 0.33531266 0.25722562 0.34534100 Fe 7.03586620 3.49932481 0.02987151 0.49633098 -0.08096645 -0.68813609 Fe 8.80618621 5.28003043 0.02921627 -0.59300442 0.15922992 0.47305180 Fe 8.78011242 3.54219366 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3.49996091 1.75155175 8.76912109 0.03135915 -0.27084478 0.37828687 Fe 7.03857808 0.02911928 7.03844227 0.33578002 -0.54243438 0.42532664 Fe 8.76168838 1.76544499 7.01827107 0.72316712 -0.52743612 0.42687612 Fe 8.77421566 0.00359644 8.80130911 -0.96406397 0.99208806 -0.96964695 Fe 7.05564014 1.75554808 8.78829499 0.11161526 -0.23773190 0.33508341 Fe 0.00608040 3.46516440 7.05239649 -0.52842582 0.19188421 0.03876213 Fe 1.77625723 5.25659310 6.99593632 -0.58105541 0.12752942 0.83120673 Fe 1.75713239 3.47706448 8.78624605 -0.21461332 0.13986263 0.43448427 Fe 0.02470655 5.23332506 8.74827788 0.42091884 0.06243735 -0.33885881 Fe 3.48185349 3.52870586 7.01492035 0.25349331 -0.23845342 0.32444218 Fe 5.25334480 5.29283520 7.00491960 0.29623891 -0.24616066 0.19850426 Fe 5.25246011 3.55331388 8.74642398 0.04791388 -0.27075039 0.39578989 Fe 3.51180641 5.29383212 8.79016453 -0.31704928 -0.14881005 0.42218256 Fe 7.05086911 3.51573633 7.02105082 -0.13038340 -0.14878755 0.48634936 Fe 8.75765127 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