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=17.45158947299909 stress="-3.0554555884931323 0.3868256139245237 -0.07353264687613491 0.3868256139245237 -4.173075506566591 -1.748587659585255 -0.07353264687613491 -1.748587659585255 -4.003255988667401" pbc="F T F" Fe 0.06210000 0.13362859 0.07034430 -27.28797310 -25.26313904 -49.56110958 Fe 1.54852473 1.55473499 0.13661615 26.10993552 -12.88768615 -39.18981906 Fe 1.40480033 -0.12280496 1.29869006 33.70715928 5.30669110 43.22509213 Fe 0.11041876 1.26735611 1.33533445 -32.52912170 32.84413410 45.52583651