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=20.854736157466167 stress="-4.68078740858964 -0.8568302072624824 -0.3123525425798928 -0.8568302072624824 -5.975353517284372 2.1504736621734564 -0.3123525425798928 2.1504736621734564 -6.599611684755736" free_energy=20.854736157466167 pbc="T T T" Fe 0.12077055 0.25551247 2.81075872 -17.78065817 -53.17678281 48.50820725 Fe 1.49188881 1.56482696 2.84620060 26.34484634 -11.18038230 37.98578823 Fe 1.51821382 2.70575425 1.46963223 17.82307872 39.58835202 -27.33787613 Fe 0.15586213 1.40395547 1.58070518 -26.38726689 24.76881309 -59.15611935