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=-8.16862455475 stress="-0.6101495581493855 0.09153514755898175 -0.14045129039305249 0.09153514755898175 -0.786580352516587 -0.35057687081193106 -0.14045129039305249 -0.35057687081193106 -0.5786418509319616" pbc="F F F" Fe -0.22238644 0.18220204 -0.10637159 -1.31187391 -2.14590973 -2.18738524 Fe 1.64272223 1.35549493 -0.22461850 0.92606411 0.56731317 0.05630862 Fe 1.20296332 -0.15112699 1.68515289 1.29683170 -1.14086088 0.48787335 Fe -0.21015034 1.48735431 1.42299150 -0.91102190 2.71945744 1.64320327