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=-7.14015008711 stress="-1.0779543862749432 0.2521653692861396 0.19864973629367755 0.2521653692861396 -1.4453538096548668 0.7032107708783785 0.19864973629367755 0.7032107708783785 -2.2251409780869618" pbc="F F F" Fe -0.25354363 -0.01806569 -0.07998135 -0.89356880 -1.39522558 -1.16204333 Fe 1.70070203 1.20342959 -0.09914834 1.70684814 3.36760427 -6.00203087 Fe 1.49793547 0.28187239 1.51001192 1.55579446 -4.88789230 5.95408241 Fe -0.01546661 1.60170120 1.37793365 -2.36907380 2.91551360 1.20999179