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:forces:R:3 energy=22.683537649640204 stress="-94.85720456702882 11.29482396034999 -24.71846462135305 11.29482396034999 -78.30439125792574 -12.19609292046625 -24.71846462135305 -12.19609292046625 -103.93052917146491" pbc="F F F" Mo 0.19178619 0.17895518 0.29140871 -42.93335232 -35.16360652 -70.39459424 Mo 1.61455359 1.53253581 0.14904689 18.49668599 23.50874528 -14.97982645 Mo 1.28091226 0.10609294 1.46603997 52.86245955 -27.28653631 53.54093029 Mo -0.19401975 1.32157598 1.51361598 -28.42579322 38.94139755 31.83349040