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=20.92115881157586 stress="-3.2870640364029033 0.7824149993005148 0.23221966665128663 0.7824149993005148 -3.546396402391883 -0.260835797182648 0.23221966665128663 -0.260835797182648 -2.8208034491021508" free_energy=20.92115881157586 pbc="T T F" Fe 2.76382215 0.03277713 0.21813893 19.67648424 15.70707258 -30.75838382 Fe 1.48799361 1.69410236 0.22586561 -19.20508195 -17.14487603 -29.93004042 Fe 1.79391194 2.72614529 1.52103145 -43.69920284 43.05169807 39.67216694 Fe 2.77761356 1.68220204 1.39362841 43.22780054 -41.61389462 21.01625730