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=19.1440875916 pbc="F T F" Mo -0.05388404 -0.19246836 0.09055128 42 -21.97140499 -5.81486066 -11.87595858 Mo 1.32230844 1.17765229 -0.08303344 42 20.28257150 6.40449335 -20.89932439 Mo 1.43858073 -0.02208018 1.65488783 42 39.22953411 -26.75328973 13.05978131 Mo 0.35379734 1.20245745 1.66431082 42 -37.54070061 26.16365703 19.71550165