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=57.10859536501929 stress="-7.3051211550757875 -1.2582489002791135 0.9044969602079947 -1.2582489002791135 -7.3442385762550915 -3.0164577359413474 0.9044969602079947 -3.0164577359413474 -7.693927530041987" free_energy=57.10859536501929 pbc="T F F" Fe 2.75497158 0.22586561 0.29391194 10.97011754 -129.63455994 -144.89912720 Fe 1.22614529 1.52103145 0.18220204 4.15758408 38.00107945 -39.51500628 Fe 1.39362841 0.23573857 1.52724172 -44.83880773 -61.55952171 49.17965142 Fe 2.76273580 1.20296332 1.34887301 29.71110611 153.19300221 135.23448206