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=73.0685308599 pbc="T F F" Mo 0.34880868 -0.17034592 0.24032542 42 -57.06655542 -55.96072814 -94.12056332 Mo 1.28220450 1.78278197 0.14821608 42 51.18642714 43.95503715 -82.11522521 Mo 1.35692509 0.12577768 1.57034430 42 74.45361252 -40.59529372 97.87519222 Mo 0.10688008 1.55473499 1.41561068 42 -68.57348424 52.60098471 78.36059630