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=34.550502697 pbc="T F F" Mo 0.34880868 -0.17034592 0.24032542 42 -40.80587754 -52.86962886 -72.51214795 Mo 1.28220450 1.78278197 0.14821608 42 36.49761522 43.07409055 -68.10164261 Mo 1.35692509 0.12577768 1.57034430 42 55.78774765 -44.96489292 76.25945255 Mo 0.10688008 1.55473499 1.41561068 42 -51.47948533 54.76043123 64.35433801