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=9.603470154539313 stress="-2.4895206541198984 0.3835160792748681 -0.26165301359569904 0.3835160792748681 -2.5751280704149337 -0.47973200149171286 -0.26165301359569904 -0.47973200149171286 -3.125280604472227" free_energy=9.603470154539313 pbc="T T T" Fe -0.14459490 0.11115480 0.11044915 14.30146628 -30.13124833 -9.09562842 Fe 1.70960170 1.31143450 -0.16166483 -22.88254074 24.22729874 4.39974762 Fe 1.28829595 0.03769167 1.64041416 -4.04229741 -18.80120349 -7.07590969 Fe -0.22187219 1.22744829 1.32834452 12.62337188 24.70515307 11.77179049