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=-7.900182480551155 stress="-3.7020205890298925 0.5527494644134575 -0.8404056260328789 0.5527494644134575 -5.283054677968174 -2.701392161339486 -0.8404056260328789 -2.701392161339486 -4.288812315994711" pbc="F F F" Fe -0.22238644 0.18220204 -0.10637159 -1.35924574 -2.61068706 -2.74308946 Fe 1.64272223 1.35549493 -0.22461850 0.96521653 0.59397909 0.02814811 Fe 1.20296332 -0.15112699 1.68515289 1.34240120 -1.19258747 0.53405898 Fe -0.21015034 1.48735431 1.42299150 -0.94837200 3.20929544 2.18088236