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=46.2322348060041 stress="-135.5347825246458 2.9485072554939675 -12.417747692140743 2.9485072554939675 -131.19264257864424 2.9172695314663883 -12.417747692140743 2.9172695314663883 -135.48742588254467" pbc="F F F" Mo -0.14801295 -0.02432459 0.06329927 -55.97960200 -39.47901436 -54.47845354 Mo 1.43745442 1.27846858 -0.00548572 36.58131140 49.32738857 -41.38941380 Mo 1.34126820 -0.15859300 1.31668137 53.62275463 -56.62498554 50.32495134 Mo -0.08013605 1.24396547 1.59073906 -34.22446403 46.77661134 45.54291599