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=71.1850753912 pbc="F T F" Mo -0.05388404 -0.19246836 0.09055128 42 -62.76796442 -19.78186709 -32.42511984 Mo 1.32230844 1.17765229 -0.08303344 42 58.96428145 22.30039998 -58.96561177 Mo 1.43858073 -0.02208018 1.65488783 42 107.58685447 -74.59514686 35.60777686 Mo 0.35379734 1.20245745 1.66431082 42 -103.78317150 72.07661397 55.78295475