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=10.780882460967828 stress="-72.15577471621316 20.470623823106912 -16.72240176362787 20.470623823106912 -65.98848604430823 -14.498473053252354 -16.72240176362787 -14.498473053252354 -72.83881493621666" pbc="F F F" Fe 0.18584377 0.18362810 0.19581920 -25.74694212 -20.80348896 -43.63728270 Fe 1.64685009 1.76959405 0.17626233 13.48362494 8.44939692 -13.02910856 Fe 1.35402479 0.20996341 1.49207130 44.01154823 -26.98494031 31.32249342 Fe 0.15300231 1.53848316 1.45774659 -31.74823105 39.33903234 25.34389784