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=-0.9271483987382166 pbc="F T F" Fe 0.08343331 -0.14204597 -0.05190546 26 -10.66217996 1.49158640 -8.01038602 Fe 1.72094491 1.73171545 0.18190327 26 9.20019429 -3.92092333 -8.94562844 Fe 1.32183498 0.21219253 1.42485375 26 28.55422587 -19.48193532 7.10913277 Fe 0.12990665 1.28220450 1.78278197 26 -27.09224020 21.91127225 9.84688170