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=21.3309089931 pbc="T F T" Fe 0.12418668 -0.09051133 0.19462846 26 -16.97959218 -23.28677145 -16.47375854 Fe 1.16337955 1.27846858 0.17817145 26 24.52860486 27.09836524 -27.54958065 Fe 1.42470151 0.06235191 1.31668137 26 18.15670127 -23.84040077 20.67847653 Fe 0.15157940 1.24396547 1.41257404 26 -25.70571395 20.02880699 23.34486266