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=2.433928778222113 stress="-2.006044637147143 -0.22684542979645053 -0.07534069826379369 -0.22684542979645053 -2.497974068441329 0.4055128734785136 -0.07534069826379369 0.4055128734785136 -2.6423615500151136" pbc="F T T" Fe 0.07034430 0.04852473 0.01848935 -17.95855838 4.37954007 4.26548122 Fe 1.41561068 1.63661615 -0.09519967 19.01719443 -18.47583814 17.13178924 Fe 1.37719504 -0.20130994 1.61041876 22.14946585 23.82304087 -16.01385263 Fe 0.08611608 1.53369179 1.52598936 -23.20810191 -9.72674279 -5.38341783