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=-46.6353431412 stress="-25.812902797980705 0.2234414925218147 -0.5247465579210746 0.2234414925218147 -22.666539560748465 0.18179431148937397 -0.5247465579210746 0.18179431148937397 -24.286345354423297" pbc="F F F" Mo -0.14801295 -0.02432459 0.06329927 -36.70780974 -25.67575833 -33.56260002 Mo 1.43745442 1.27846858 -0.00548572 28.01201796 30.96987496 -28.45457816 Mo 1.34126820 -0.15859300 1.31668137 34.46289901 -34.86408396 30.12157972 Mo -0.08013605 1.24396547 1.59073906 -25.76710722 29.56996732 31.89559847