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=178.976334815 pbc="T F T" Nb 0.12418668 -0.09051133 0.19462846 41 -120.23962104 -189.17726400 -130.34259005 Nb 1.16337955 1.27846858 0.17817145 41 153.70872008 200.67410696 -152.72047395 Nb 1.42470151 0.06235191 1.31668137 41 125.25657403 -182.10876719 147.77639323 Nb 0.15157940 1.24396547 1.41257404 41 -158.72567307 170.61192423 135.28667078