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=1944.62500842 pbc="T T T" Mo -0.18564671 0.31374870 0.17549044 42 -1612.51643914 -1956.84939566 -2257.79823698 Mo 0.95960170 0.56143450 0.06110600 42 1196.59883899 362.72133360 -847.68499057 Mo 0.53829595 0.02094153 0.89041416 42 748.98910418 -1233.73610659 1313.27916414 Mo -0.03824408 0.76878885 0.57834452 42 -333.07150403 2827.86416865 1792.20406340