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=45.141673359 pbc="F F T" Mo -0.09278361 -0.15071534 -0.09136166 42 -32.38954176 -20.99811872 -13.83413502 Mo 1.68220204 1.39362841 0.33569107 42 42.05985050 109.22200796 -73.24751198 Mo 1.52724172 0.03658906 1.20296332 42 20.51286791 -111.40805466 73.15638064 Mo -0.13918948 1.72083292 1.28984966 42 -30.18317665 23.18416542 13.92526637