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=-7.900182481531812 stress="-3.7020226026176224 0.5527477158093326 -0.8404057319396951 0.5527477158093326 -5.283054668508271 -2.7013920313544784 -0.8404057319396951 -2.7013920313544784 -4.28881359375652" pbc="F F F" Fe -0.22238644 0.18220204 -0.10637159 -1.35924707 -2.61068760 -2.74308990 Fe 1.64272223 1.35549493 -0.22461850 0.96521769 0.59397973 0.02814782 Fe 1.20296332 -0.15112699 1.68515289 1.34240110 -1.19258708 0.53405944 Fe -0.21015034 1.48735431 1.42299150 -0.94837172 3.20929496 2.18088264