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=42.363250992 pbc="F T T" Mo -0.25271761 0.22817528 0.06304267 42 -54.02105251 -36.70741600 -49.02318277 Mo 1.70070203 1.20342959 -0.09914834 42 53.00848164 54.58337517 -15.28961638 Mo 1.49793547 0.13686132 1.36514043 42 46.09211087 -61.99775011 17.46665902 Mo 0.03734053 1.51504004 1.22448856 42 -45.07954000 44.12179094 46.84614013