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=9.28094520361299 stress="-2.477435365574926 0.38374284366411665 -0.2615699365123045 0.38374284366411665 -2.5628408527857998 -0.4797826756573087 -0.2615699365123045 -0.4797826756573087 -3.113162358818939" free_energy=9.28094520361299 pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 14.30330468 -30.13290997 -9.09591908 Fe 1.70960170 1.31143450 -0.16166483 -22.88178923 24.22933346 4.39895067 Fe 1.28829595 0.03769167 1.64041416 -4.04396693 -18.80253713 -7.07476965 Fe -0.22187219 1.22744829 1.32834452 12.62245148 24.70611364 11.77173806