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=13.457205158174807 stress="-3.251966766121537 0.10930437494740029 -0.08093189715239252 0.10930437494740029 -2.903041100821378 0.7817370441412442 -0.08093189715239252 0.7817370441412442 -2.7622179756969008" pbc="T F F" Fe 0.08343331 0.22094491 0.23171545 -20.85102215 -20.53141381 -26.68946624 Fe 1.50893269 1.32183498 0.21219253 14.28293963 45.77425522 -37.52403747 Fe 1.42485375 0.12990665 1.28220450 19.19013364 -43.18149664 46.02543898 Fe 0.28278197 1.56210000 1.63362859 -12.62205112 17.93865523 18.18806474