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=18.260116100428217 stress="-2.523198184650467 -0.07440721527355693 0.08356576368705228 -0.07440721527355693 -2.497183237388833 -0.18641507155324466 0.08356576368705228 -0.18641507155324466 -3.0896369324923034" pbc="T F T" Fe 0.03848316 0.19178619 0.17895518 12.89851702 -24.81368810 -13.62929505 Fe 1.79140871 1.61455359 0.03253581 -18.48756671 22.30721370 -3.39233707 Fe 1.64904689 0.10609294 1.46603997 -18.09819643 -27.02973270 7.70981773 Fe -0.19401975 1.32157598 1.51361598 23.68724612 29.53620710 9.31181440