256 Lattice="14.321637655712602 0.0 0.0 0.0 14.321637655712602 0.0 0.0 0.0 14.321637655712602" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.5709764622557 stress="-0.005051536152730463 -0.00034748550664496754 0.0001405568287098267 -0.00034748550664496754 -0.004931963103091492 -0.0002649124454591288 0.0001405568287098267 -0.0002649124454591288 -0.004917599610609498" free_energy=-900.5709764622557 pbc="F F F" Fe 0.03416812 0.00874816 0.02290385 0.55215868 0.56410243 0.56627431 Fe 1.79068770 1.78011642 0.02381750 0.04297163 0.06960545 -0.55900603 Fe 1.83303845 0.00675460 1.75702263 -0.17485559 -0.48825762 0.33889336 Fe 0.02742089 1.78136312 1.79152247 -0.34970198 0.06157967 0.14143618 Fe 3.55794208 0.00036536 0.03213533 0.06349751 0.12134921 -0.04695636 Fe 5.37646636 1.77045832 0.03332804 -0.16392675 0.27788417 -0.55530768 Fe 5.33902717 0.00934651 1.77056271 0.02199661 -0.39776306 0.25845981 Fe 3.54748755 1.82778252 1.81022741 0.22824258 -0.01439748 -0.00547782 Fe 7.20622825 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