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=-6.689295348789099 stress="-6.341952388672825 1.765992431240498 1.1398178591617127 1.765992431240498 -8.550352482894882 4.592220811370982 1.1398178591617127 4.592220811370982 -13.160728263380058" pbc="F F F" Fe -0.25354363 -0.01806569 -0.07998135 -0.93703720 -1.43468811 -1.20331869 Fe 1.70070203 1.20342959 -0.09914834 1.86860197 3.99540071 -7.08782293 Fe 1.49793547 0.28187239 1.51001192 1.92416100 -5.92330367 7.09500745 Fe -0.01546661 1.60170120 1.37793365 -2.85572577 3.36259108 1.19613416