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=70.9344175218 pbc="F T F" Mo -0.05388404 -0.19246836 0.09055128 42 -62.76438518 -19.76985300 -32.42169651 Mo 1.32230844 1.17765229 -0.08303344 42 58.96354434 22.29785272 -58.96452618 Mo 1.43858073 -0.02208018 1.65488783 42 107.58349133 -74.60204490 35.60411810 Mo 0.35379734 1.20245745 1.66431082 42 -103.78265048 72.07404518 55.78210458