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=-2.948236585909233 stress="-22.218022784561434 0.2966498488724196 1.7105376683737088 0.2966498488724196 -18.98310092686557 -0.058233734842439766 1.7105376683737088 -0.058233734842439766 -25.80011950635656" pbc="F F F" Fe 0.05280714 -0.08666117 -0.15344509 -8.82961889 -5.45134508 -8.30753420 Fe 1.37241235 1.32230844 -0.08950840 10.88061046 5.40867527 -10.86737126 Fe 1.22286420 -0.06141927 1.25205420 7.55567189 -6.96487478 9.99339948 Fe 0.15488783 1.55988540 1.20245745 -9.60666346 7.00754458 9.18150598