500 Lattice="18.091105218940697 0.0 0.0 0.0 18.091105218940697 0.0 0.0 0.0 18.091105218940697" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6661.862182575955 stress="-0.005122698698335727 -0.00024256147937802713 -9.253906931832308e-05 -0.00024256147937802713 -0.004927970759750613 0.00014022962804719228 -9.253906931832308e-05 0.00014022962804719228 -0.004939535538510518" free_energy=-6661.862182575955 pbc="F F F" Fe 0.03566989 0.01402895 0.02528368 0.59772735 0.64490660 0.59987515 Fe 1.79971149 1.83952486 0.03055351 -0.11876040 -0.53772874 -0.18275659 Fe 1.83426853 0.00725122 1.77419036 -0.41369726 -0.03097771 -0.13623944 Fe 0.02347732 1.83094965 1.81013790 -0.05015918 -0.47844445 -0.26744614 Fe 3.62215891 0.00793659 0.00137750 0.01351509 0.38003136 0.35116286 Fe 5.39249953 1.82439441 0.00754005 0.10017089 -0.34566404 0.01523357 Fe 5.44384271 0.02624534 1.82148211 -0.05739435 -0.12256540 -0.32902249 Fe 3.62405501 1.77904733 1.81384398 -0.20983963 -0.02037240 -0.24518448 Fe 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