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=186.417365979 pbc="T T F" Mo 0.08407602 0.33863628 0.44854923 42 -40.25494018 -184.30297037 -198.03039219 Mo 1.45717459 1.35402479 0.31605635 42 35.01788007 117.92035565 -151.11873279 Mo 1.49207130 0.16661829 1.53848316 42 16.86959039 -97.49513677 150.03417891 Mo -0.04225341 1.41852158 1.45789336 42 -11.63253029 163.87775149 199.11494608