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=172.8714838457455 stress="-13.500788387071793 0.8154182411871986 4.364748958712473 0.8154182411871986 -11.410500617104173 2.5788813679427722 4.364748958712473 2.5788813679427722 -17.700405740867957" free_energy=172.8714838457455 pbc="F F T" Mo 0.29874826 0.05835534 -0.25354363 -138.22979428 -113.76980055 77.57280921 Mo 1.48193431 1.42001865 0.20070203 130.94981187 111.89439139 -70.45929979 Mo 1.20342959 0.28187239 1.51001192 191.53341143 -139.81543342 -32.57014910 Mo 0.10170120 1.37793365 1.21904386 -184.25342902 141.69084258 25.45663968