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=4.846901539928517 stress="-21.13249840237654 -1.0502487621390453 -0.40008952873213843 -1.0502487621390453 -20.696699583515834 -0.6959017320119951 -0.40008952873213843 -0.6959017320119951 -21.123241637031327" pbc="F F F" Fe 0.26959405 0.17626233 -0.14597521 -6.38064753 -7.91178853 -10.17602888 Fe 1.70996341 1.49207130 0.15300231 8.43012088 8.45808749 -4.97453433 Fe 1.53848316 -0.04225341 1.41852158 5.28358994 -7.15100343 7.77412162 Fe -0.04210664 1.38825682 1.27041603 -7.33306329 6.60470446 7.37644159