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=10.881545267639572 stress="-3.2805850538911234 1.2086275370896014 -0.14876246443901348 1.2086275370896014 -3.08264932570454 0.8710014114777425 -0.14876246443901348 0.8710014114777425 -3.130063468615947" pbc="F T F" C 0.15154029 -0.21026318 0.29811016 -20.06132567 -7.21336465 -25.99431396 C 1.56870838 1.12140691 0.31145633 22.48175066 22.18813587 -44.07135763 Fe 1.22754451 0.23715536 1.52704010 55.57450293 -61.86788937 61.34699128 Fe 0.20470050 1.27493780 1.41166667 -57.99492792 46.89311815 8.71868031