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=6.258342161262046 stress="-54.431460416970324 13.325977876175326 7.832158595470517 13.325977876175326 -48.84009585981441 8.688324818041565 7.832158595470517 8.688324818041565 -52.78542386268386" pbc="F F F" Fe -0.08950840 -0.27713580 -0.06141927 -11.61000040 -5.90609050 -12.68148882 Fe 1.25205420 1.65488783 0.05988540 16.81048782 14.62046503 -26.88910999 Fe 1.20245745 0.16431082 1.31425730 26.59313411 -26.57374242 20.72193330 Fe -0.01155935 1.53277713 1.39971974 -31.79362153 17.85936789 18.84866550