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=-1.2149948620862046 stress="-1.3486402979877252 0.3843293182169122 -0.12309118103251018 0.3843293182169122 -1.1869684112766847 -0.057965173334251774 -0.12309118103251018 -0.057965173334251774 -0.9147699238319386" free_energy=-1.2149948620862046 pbc="T F F" Fe 2.84140700 0.09073906 0.27219963 -2.20397260 -10.78708436 -11.43904256 Fe 1.43381326 1.63132919 0.25978669 2.02787233 6.07817486 -7.60097527 Fe 1.22592512 0.18365717 1.70288723 12.32986172 -15.29351191 8.69483048 Fe 0.08343331 1.29585403 1.44809454 -12.15376145 20.00242140 10.34518735