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=-2.4701819890802317 stress="-20.55035021613432 7.332904766261978 3.3267400781255674 7.332904766261978 -26.642210474016945 12.412696613876175 3.3267400781255674 12.412696613876175 -36.59618407204941" pbc="F F F" Fe -0.25354363 -0.01806569 -0.07998135 -2.54923228 -4.39603462 -3.42796478 Fe 1.70070203 1.20342959 -0.09914834 5.39925791 11.11987789 -19.64528914 Fe 1.49793547 0.28187239 1.51001192 7.05522982 -18.14658885 19.53992914 Fe -0.01546661 1.60170120 1.37793365 -9.90525546 11.42274558 3.53332477