4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=0.932600808082 stress="-4.409165953164528 -0.14704216605965903 -0.21767168407904514 -0.14704216605965903 -11.365377810897048 -1.533945466903768 -0.21767168407904514 -1.533945466903768 -13.008210951428852" pbc="F F F" Fe -0.25271761 0.22817528 0.06304267 -6.67048775 -23.16699704 -19.23217087 Fe 1.70070203 1.20342959 -0.09914834 6.11217009 11.89492069 -20.88915189 Fe 1.49793547 0.28187239 1.51001192 4.61591712 -16.70046580 21.29460699 Fe -0.01546661 1.60170120 1.23292258 -4.05759946 27.97254215 18.82671577