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=4.602092624218921 stress="-20.757113773732854 0.3778005587982034 -1.8930574862339533 0.3778005587982034 -20.3151926793627 0.1672888597535067 -1.8930574862339533 0.1672888597535067 -20.2182634814701" pbc="F F F" Fe -0.14801295 -0.02432459 0.06329927 -8.59345281 -6.24998073 -8.23025027 Fe 1.43745442 1.27846858 -0.00548572 5.63296644 7.56998453 -6.06336737 Fe 1.34126820 -0.15859300 1.31668137 8.17872936 -8.64649606 7.41247413 Fe -0.08013605 1.24396547 1.59073906 -5.21824300 7.32649226 6.88114350