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=-5.953520968906447 stress="-0.8754975446112154 -0.01446209779469761 0.2708783228111374 -0.01446209779469761 -0.5690477339819905 -0.09644813943084952 0.2708783228111374 -0.09644813943084952 -0.8128909397898916" free_energy=-5.953520968906447 pbc="T F F" Fe 2.98735431 0.18107110 0.13102478 3.70578964 -6.92630572 -8.75601208 Fe 1.59995250 1.76120756 0.01193751 1.59066027 3.55934366 -7.98599558 Fe 1.75226748 0.04396501 1.57236142 -3.61511438 -2.65321201 6.40405717 Fe 0.20379337 1.73854596 1.26922180 -1.68133553 6.02017407 10.33795049