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=-1.0246805660949432 stress="-1.4997463950752898 -0.6642389887212607 0.054159608337576486 -0.6642389887212607 -1.3863826475346575 -0.058786778847497 0.054159608337576486 -0.058786778847497 -0.9380044811089008" pbc="T F F" Fe 0.31847822 0.09995250 0.26120756 -0.75364020 -10.40208232 -12.50322311 Fe 1.53209504 1.75226748 0.04396501 -0.75114496 4.65107196 -5.00496267 Fe 1.57236142 0.20379337 1.73854596 -16.13013314 -21.27727782 10.05438345 Fe -0.23077820 1.28229695 1.52031036 17.63491830 27.02828818 7.45380233