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=43.496127998801384 stress="-5.558614446486451 -0.23338295040607365 -0.19327758330150568 -0.23338295040607365 -5.530310863037784 0.9770468047376437 -0.19327758330150568 0.9770468047376437 -5.313773169751593" pbc="T T F" Fe 0.05988540 -0.29754255 0.16431082 -35.53775940 64.58513567 -77.51155600 Fe 1.31425730 1.48844065 0.03277713 33.87890979 -30.97791779 -39.98114397 Fe 1.23068471 -0.12633864 1.46097674 40.47781876 34.09837453 44.55874405 Fe 0.00805869 1.71813893 1.26716069 -38.81896915 -67.70559242 72.93395592