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=18.351710096282552 stress="-3.2998300518247947 -0.12463468890349062 -0.1280075057463845 -0.12463468890349062 -3.9131200825396486 0.9414178351503437 -0.1280075057463845 0.9414178351503437 -3.774854452830135" pbc="T T F" Fe 0.25398776 -0.29754255 0.16431082 -29.51098071 55.01640745 -65.02822656 Fe 1.31425730 1.48844065 0.03277713 28.51105540 -25.41934034 -19.22562224 Fe 1.23068471 -0.12633864 1.46097674 31.49171431 20.01557842 33.39716891 Fe 0.00805869 1.71813893 1.26716069 -30.49178899 -49.61264552 50.85667989