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=13.99092699656387 stress="-3.9363415344292783 1.1761674139752636 -0.5854713241800211 1.1761674139752636 -3.3392330848271308 -0.22529379657174206 -0.5854713241800211 -0.22529379657174206 -4.221891890429138" pbc="T F T" Fe -0.14597521 0.20996341 -0.00792870 21.79002747 -28.86981443 14.38183655 Fe 1.65300231 1.53848316 -0.04225341 9.43677126 31.60332859 22.39967082 Fe 1.56756847 0.19178619 1.67895518 0.30405690 -36.55770721 -19.67115037 Fe 0.29140871 1.61455359 1.53253581 -31.53085563 33.82419305 -17.11035700