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=41.75869257597575 stress="-3.7865316055558504 -0.029262906876355067 0.06864596548120208 -0.029262906876355067 -2.4220635347273096 -0.028786953921379026 0.06864596548120208 -0.028786953921379026 -4.222536750487307" free_energy=41.75869257597575 pbc="T F T" Mo -0.11174318 0.19178619 0.17895518 11.04141330 -24.60768523 -5.39874759 Mo 1.79140871 1.61455359 0.03253581 -11.20052424 25.65739301 -2.87578595 Mo 1.64904689 0.10609294 1.46603997 -13.61275874 -24.74502821 3.68549878 Mo -0.19401975 1.32157598 1.51361598 13.77186967 23.69532043 4.58903476