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=45.421080748 pbc="F F T" Mo -0.09278361 -0.15071534 -0.09136166 42 -32.39232059 -21.00079495 -13.84230617 Mo 1.68220204 1.39362841 0.33569107 42 42.06313097 109.22466099 -73.24901536 Mo 1.52724172 0.03658906 1.20296332 42 20.51657901 -111.41215389 73.15172214 Mo -0.13918948 1.72083292 1.28984966 42 -30.18738939 23.18828784 13.93959939