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=-6.19010505838 stress="-1.103749103334841 0.43641223344418617 0.2085999719365478 0.43641223344418617 -1.5398243919580272 0.8849305001293655 0.2085999719365478 0.8849305001293655 -2.221932803092952" pbc="F F F" Fe -0.25271761 -0.01806569 -0.07998135 -0.58364225 -1.07053063 -0.81200073 Fe 1.70070203 1.20342959 -0.09914834 1.47092891 3.59886298 -6.30091627 Fe 1.49793547 0.28187239 1.51001192 1.95773361 -5.71862458 6.31529406 Fe -0.01546661 1.60170120 1.37793365 -2.84502027 3.19029222 0.79762293