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=-1.0246805657091675 stress="-1.4997461134644565 -0.664238966570064 0.05415967933348332 -0.664238966570064 -1.3863825150127946 -0.05878683831896291 0.05415967933348332 -0.05878683831896291 -0.9380044691587831" pbc="T F F" Fe 0.31847822 0.09995250 0.26120756 -0.75363718 -10.40208162 -12.50322361 Fe 1.53209504 1.75226748 0.04396501 -0.75114676 4.65107056 -5.00496213 Fe 1.57236142 0.20379337 1.73854596 -16.13013669 -21.27727588 10.05438274 Fe -0.23077820 1.28229695 1.52031036 17.63492063 27.02828694 7.45380299