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=-10.048473584072156 stress="-0.8372933005080249 0.2200352302858795 0.8800823257808408 0.2200352302858795 -0.11970347528156282 0.20801324788411404 0.8800823257808408 0.20801324788411404 -0.6096341136841029" free_energy=-10.048473584072156 pbc="F T F" C 0.20359985 2.75068542 0.15154029 -5.20622060 11.79938885 2.95330766 Fe 1.28973682 1.79811016 0.07473240 23.93619117 -6.18126567 -17.56080925 C 1.26010779 2.98238885 1.55926218 -2.70058253 0.93970007 -5.06274054 Fe 0.23715536 1.52704010 1.28209294 -16.02938804 -6.55782325 19.67024213