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=-15.981100821249955 stress="-1.8312339926265924 0.1426991872983185 -0.07848844849270303 0.1426991872983185 -1.7973299009906103 -0.14038931715648673 -0.07848844849270303 -0.14038931715648673 -1.8802567439962747" free_energy=-15.981100821249955 pbc="F T F" Mo 0.11041876 -0.03194186 0.08611608 -17.57952769 -3.95392733 -23.94450593 Mo 1.53369179 1.52598936 0.29874826 16.80242221 2.01642424 -17.05252466 Mo 1.27290972 -0.11909813 1.36136659 21.05244755 -5.45214559 23.48518340 Mo 0.05835534 0.94988596 1.48193431 -20.27534208 7.38964868 17.51184719