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=6.04374465367 stress="-17.902785915666364 6.34171062725564 0.5359327843288884 6.34171062725564 -14.316055014268736 1.0762539001101117 0.5359327843288884 1.0762539001101117 -10.648534372683804" pbc="F F F" Fe 0.03369179 0.02598936 -0.27670350 -15.64653470 -9.90584302 -11.30298125 Fe 1.46375436 1.40583543 -0.24440284 10.14744864 18.94173696 -14.98889192 Fe 1.20178472 0.29874826 1.27290972 44.03414871 -40.81715820 17.64103990 Fe -0.11909813 1.36136659 1.55835534 -38.53506265 31.78126426 8.65083326