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=-2.0304404920759636 pbc="F T F" Mo 0.11042859 0.20947124 -0.14487149 42 -16.46755162 -7.52459327 -19.14553608 Mo 1.55280714 1.11579628 -0.15344509 42 19.29622285 7.52373055 -14.12203000 Mo 1.37241235 -0.01338074 1.41049160 42 14.21036292 -5.70200632 19.03382345 Mo -0.27713580 1.25283802 1.25205420 42 -17.03903416 5.70286904 14.23374263