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:Z:I:1:forces:R:3 energy=-0.9553432825760602 pbc="T F F" Mo 0.10609294 -0.03396003 -0.19401975 42 -8.52628585 -21.11313658 -15.65863522 Mo 1.32157598 1.51361598 -0.14801295 42 5.22433426 21.36294057 -19.73187732 Mo 1.47567541 0.06329927 1.43745442 42 -4.03268156 -23.09070273 17.59246300 Mo -0.22153142 1.49451428 1.34126820 42 7.33463316 22.84089875 17.79804955