108 Lattice="10.926749403967301 0.0 0.0 0.0 10.926749403967301 0.0 0.0 0.0 10.926749403967301" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.4601250010132 stress="-0.0058370606684025475 -0.0006455649842539728 -5.780568170646042e-05 -0.0006455649842539728 -0.005885289979216045 -9.84684575408791e-05 -5.780568170646042e-05 -9.84684575408791e-05 -0.005708978880623205" free_energy=-348.4601250010132 pbc="F F F" Fe 0.02674323 0.03227164 0.03228743 0.20603529 0.13142473 0.17025396 Fe 1.82153514 1.82624690 0.02750760 -0.06608620 -0.06503754 -0.35434886 Fe 1.82372061 0.00627996 1.84765246 -0.00425060 -0.31085515 -0.07293100 Fe 0.01264985 1.80669220 1.79626762 -0.28914971 0.12485654 0.05775594 Fe 3.66012933 0.03459165 0.02727853 -0.08542301 -0.13449610 -0.05668454 Fe 5.45158556 1.80405938 0.02974452 0.18654685 0.10077090 -0.30010236 Fe 5.47611188 0.00891613 1.84731139 -0.13318865 -0.31098692 -0.07771648 Fe 3.62988156 1.79129246 1.78788009 0.11137781 0.27386599 0.48952778 Fe 7.27166367 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