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=-8.489171093697099 stress="-29.3415586760058 0.03998157108917866 0.13803024309849832 0.03998157108917866 -25.068343235146173 -0.07378860665592057 0.13803024309849832 -0.07378860665592057 -26.58308891345412" pbc="F F F" Mo -0.14801295 -0.02432459 0.06329927 -11.25321247 -7.98137256 -9.90127367 Mo 1.43745442 1.27846858 -0.00548572 9.06446220 9.38112681 -8.67068787 Mo 1.34126820 -0.15859300 1.31668137 10.42742351 -10.42521227 8.68750420 Mo -0.08013605 1.24396547 1.59073906 -8.23867323 9.02545802 9.88445733