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:Z:I:1:forces:R:3 energy=-2.2119717222530553 pbc="F T T" Fe -0.29754255 0.16431082 -0.18574270 26 -12.83341959 -16.52383782 14.35665223 Fe 1.48844065 1.36374210 -0.10028026 26 14.18859464 4.85011616 3.38804353 Fe 1.37366136 -0.03902326 1.16420504 26 9.17510276 -7.42419406 1.60480756 Fe 0.21813893 1.26716069 1.69410236 26 -10.53027780 19.09791573 -19.34950332