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=-7.62520311913 stress="0.36572104932150157 -0.02576822369795976 -0.10562012603225783 -0.02576822369795976 0.221605444644343 -0.14623530867736478 -0.10562012603225783 -0.14623530867736478 0.1552460244025729" pbc="F F F" Fe -0.20414597 -0.05190546 0.22094491 0.43854771 0.11301557 -0.19182154 Fe 1.73171545 1.68190327 -0.17816502 -0.75464176 -0.61052877 0.71836844 Fe 1.71219253 -0.07514625 1.62990665 -0.48300444 0.70342757 -0.36553781 Fe -0.21779550 1.78278197 1.56210000 0.79909849 -0.20591438 -0.16100908