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=-7.62398087602 stress="-0.5025187984272713 -0.20518132491687052 0.02095328864558673 -0.20518132491687052 -0.7076676306920293 -0.08875061825326358 0.02095328864558673 -0.08875061825326358 -0.5496898761879699" pbc="F F F" Fe -0.12280496 -0.20130994 0.11041876 -1.32977432 -2.16584416 -0.95833159 Fe 1.26735611 1.33533445 -0.25851365 1.15167961 1.36555479 -1.02167912 Fe 1.58611608 0.03369179 1.52598936 0.64991591 -0.34267246 0.86370370 Fe -0.27670350 1.46375436 1.40583543 -0.47182120 1.14296184 1.11630701