108 Lattice="10.892078375918068 0.0 0.0 0.0 10.892078375918068 0.0 0.0 0.0 10.892078375918068" Properties=species:S:1:pos:R:3:forces:R:3 energy=-351.8978677357661 stress="-0.004568814048685965 -0.0002788776909509843 -0.00023202665596885335 -0.0002788776909509843 -0.00373976006768883 0.00027395193288259423 -0.00023202665596885335 0.00027395193288259423 -0.0043250939512609115" free_energy=-351.8978677357661 pbc="F F F" Fe 0.02364904 0.03346828 0.01337948 0.21263228 0.12333556 0.19603280 Fe 1.78477961 1.79631692 0.02997546 0.04448164 0.22000684 -0.19907346 Fe 1.84390574 0.00257938 1.79625369 -0.30028128 -0.25545235 0.16961538 Fe 0.01351498 1.80920248 1.83732575 -0.18301149 -0.09672340 -0.14014481 Fe 3.60016717 0.02471986 0.03075679 0.12259343 0.10940317 -0.07546257 Fe 5.48096575 1.79260553 0.02971435 -0.03797425 0.07087294 -0.25933210 Fe 5.45665936 0.02156233 1.83565548 -0.16424434 -0.33889255 0.02152938 Fe 3.64329636 1.78653866 1.82992373 -0.04209148 0.23753514 -0.02095799 Fe 7.24805566 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3.65962070 1.78875969 9.09427616 -0.21766198 0.22403926 0.18373118 Fe 7.26133287 0.01540933 7.25119045 0.11331443 -0.02390477 0.09016140 Fe 9.10152885 1.84429319 7.27246663 -0.03774320 -0.18623671 0.11129083 Fe 9.06181127 0.01975639 9.08047466 -0.26892333 0.30449082 -0.30713349 Fe 7.24942926 1.82379065 9.07620091 0.09283290 -0.12251044 0.06858486 Fe 0.00485852 3.67965598 7.21732739 -0.40168732 -0.14881141 0.19013629 Fe 1.79179450 5.41114735 7.28948757 0.20718043 0.36997904 -0.27745248 Fe 1.79862837 3.64338336 9.04150351 0.12925461 -0.08746880 0.34093633 Fe 0.01204152 5.44575244 9.05831229 -0.13741733 -0.11167913 0.05802009 Fe 3.62622247 3.61929655 7.28143978 0.15598911 0.06670997 -0.03120161 Fe 5.46473711 5.47447509 7.24157132 -0.16116647 -0.07551279 0.10505805 Fe 5.45664752 3.63394315 9.08656050 -0.01118408 0.09955527 0.06306644 Fe 3.63516935 5.47509667 9.04164410 0.02594895 -0.02352413 0.29601236 Fe 7.27709510 3.65945862 7.26365680 -0.11747393 -0.22572422 0.13070596 Fe 9.04651105 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