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=-4.95338860747 stress="-4.212122233750529 0.4516060676861254 -0.9399814915627229 0.4516060676861254 -2.9790071788293853 0.028204135147471256 -0.9399814915627229 0.028204135147471256 -3.9848543312724125" pbc="F F F" Fe 0.04852473 0.05473499 -0.08438932 -7.07188438 -3.50905666 -7.99114409 Fe 1.63661615 1.40480033 -0.12280496 2.85368435 4.72869375 -3.38220990 Fe 1.29869006 0.11041876 1.26735611 9.49327586 -6.59343108 7.99994916 Fe -0.16466555 1.24148635 1.58611608 -5.27507583 5.37379399 3.37340484