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=45.1721697091 pbc="F F T" Mo -0.09278361 -0.15071534 -0.09136166 42 -32.38960656 -20.99817511 -13.83382204 Mo 1.68220204 1.39362841 0.33569107 42 42.06011762 109.22217176 -73.24615813 Mo 1.52724172 0.03658906 1.20296332 42 20.51291440 -111.40825877 73.15557877 Mo -0.13918948 1.72083292 1.28984966 42 -30.18342546 23.18426212 13.92440140