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=119.49257715855825 stress="-9.187184517866656 -1.6825333014062827 2.32881406542447 -1.6825333014062827 -14.895548338857088 2.2298308854688034 2.32881406542447 2.2298308854688034 -13.716823981232467" free_energy=119.49257715855825 pbc="F T T"
Mo       0.22094491       0.23171545       0.18190327     -85.37926563       0.83371590     -26.08495849
Mo       1.32183498       1.71219253      -0.07514625      84.60626107     -83.42704433      56.99115568
Mo       1.62990665      -0.21779550       1.78278197      98.88628643      95.92505101     -83.25533552
Mo       0.06210000       1.70397289       1.32702941     -98.11328188     -13.33172258      52.34913833