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=-46.766377425648585 stress="-5.193201432923053 -2.299021474397816 0.33821818621364685 -2.299021474397816 -7.56757063927543 -1.0543719232581346 0.33821818621364685 -1.0543719232581346 -5.487722357811296" pbc="F F F" Fe -0.12280496 -0.20130994 0.11041876 -2.52565247 -4.24007581 -1.75863655 Fe 1.26735611 1.33533445 -0.25851365 2.25065650 2.62404908 -1.82200561 Fe 1.58611608 0.03369179 1.52598936 1.13094575 -0.59056992 1.47395847 Fe -0.27670350 1.46375436 1.40583543 -0.85594977 2.20659665 2.10668370