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=10.072917516271598 stress="-2.6695201157067534 0.5215086020910323 0.29146974238453544 0.5215086020910323 -2.764629540869556 0.2765744959240827 0.29146974238453544 0.2765744959240827 -1.8929374383225466" free_energy=10.072917516271598 pbc="T T F" Fe 0.05988540 2.70245745 0.16431082 1.45204037 23.66651940 -25.99191410 Fe 1.31425730 1.48844065 0.03277713 2.23897501 -11.90736372 -15.60304069 Fe 1.59382210 2.87366136 1.46097674 -18.08182161 20.30199195 16.42794210 Fe 2.61315804 1.71813893 1.26716069 14.39080624 -32.06114763 25.16701269