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=-7.8475956965610365 stress="-2.761897635476874 -0.07972170888231694 -0.014624848160021601 -0.07972170888231694 -1.9038189515878086 0.033629843276708433 -0.014624848160021601 0.033629843276708433 -2.8544751435570066" free_energy=-7.8475956965610365 pbc="T F T" Mo 0.29140871 0.11455359 0.03253581 -6.66056817 -17.46551469 -4.09831928 Mo 1.64904689 1.28091226 0.10609294 5.05646679 16.21736620 -3.40407203 Mo 1.24450855 0.01361598 1.35198705 3.91635034 -19.79733320 5.03760601 Mo 0.06641448 1.56329927 1.43745442 -2.31224895 21.04548168 2.46478530