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=-5.81477946872 stress="-2.55713599037759 -0.301115223492911 -0.36347461955058097 -0.301115223492911 -1.5785698176205942 0.2671938085310189 -0.36347461955058097 0.2671938085310189 -2.6122553343669863" pbc="F F F" Fe 0.05988540 -0.29754255 0.16431082 -4.93301452 -2.66401736 -4.19314487 Fe 1.31425730 1.48844065 0.03277713 3.76489383 3.13154080 -5.08501585 Fe 1.39971974 0.06776372 1.46097674 4.65040694 -1.64094012 6.58372444 Fe -0.21780693 1.71813893 1.26716069 -3.48228625 1.17341669 2.69443627