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=3111.3684472063196 pbc="F T F" Mo -0.21229307 0.25421593 -0.24816637 42 -2541.68616244 -1920.63254801 -2119.67269577 Mo 1.46318594 1.51175927 -0.08347968 42 2470.77994196 3986.04536167 -5110.32079455 Mo 1.46287107 0.16945681 1.35727162 42 7109.66286135 -7434.88783062 4039.29969282 Mo -0.05348635 1.30172574 1.61438830 42 -7038.75664087 5369.47501695 3190.69379750