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=-61.9437030816 stress="-9.684600172147993 -1.922522297364268 -0.7010813694373945 -1.922522297364268 -6.196327509981351 0.8666017825360177 -0.7010813694373945 0.8666017825360177 -10.160614169204003" pbc="F F F" Mo 0.27219963 -0.06618674 0.13132919 -24.75327845 -19.01143723 -15.43982371 Mo 1.75978669 1.22592512 -0.21495266 16.94705398 18.82401407 -19.43461295 Mo 1.68365717 0.20288723 1.58343331 18.18062356 -8.91693502 26.25451524 Mo -0.20414597 1.44809454 1.72094491 -10.37439910 9.10435818 8.61992141