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=-0.30351012496932817 stress="-1.412779947644369 0.4054659036861317 -0.12917093768256982 0.4054659036861317 -1.4123776925375833 -0.138462416585752 -0.12917093768256982 -0.138462416585752 -1.2258854294747923" free_energy=-0.30351012496932817 pbc="T F F" Fe -0.06254558 0.09073906 0.27219963 -3.86435152 -13.80425610 -15.48916264 Fe 1.43381326 1.63132919 0.25978669 4.16688346 6.80981016 -10.31576031 Fe 1.22592512 0.18365717 1.70288723 15.28727021 -17.27568505 10.31027439 Fe 0.08343331 1.29585403 1.44809454 -15.58980216 24.27013099 15.49464856