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=40.8044427711 pbc="F T F" Nb -0.05388404 -0.19246836 0.09055128 41 -67.05441889 -23.95650054 -35.17675138 Nb 1.32230844 1.17765229 -0.08303344 41 65.23762549 27.70184156 -68.14333129 Nb 1.43858073 -0.02208018 1.65488783 41 116.00925047 -74.75219649 38.80816409 Nb 0.35379734 1.20245745 1.66431082 41 -114.19245707 71.00685547 64.51191859