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=-4.901208543119724 stress="-33.92745027058801 -16.40460399657696 -7.834404161262177 -16.40460399657696 -23.529235555233143 2.9277314055434775 -7.834404161262177 2.9277314055434775 -18.949458081428723" pbc="F F F" Fe -0.00792870 0.15300231 0.07101897 -22.90444955 -13.45635868 -9.27540472 Fe 1.45774659 1.41852158 -0.04210664 16.81760584 14.20615260 -2.54022853 Fe 1.16916908 -0.12349103 1.65782616 7.89535144 -3.77418844 9.80423067 Fe 0.00053116 1.64339576 1.61455359 -1.80850773 3.02439452 2.01140258