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=38.05371788803586 stress="-2.058218777330918 -0.13480403209585282 0.17622356177061438 -0.13480403209585282 -4.104467482084915 0.07712568425420928 0.17622356177061438 0.07712568425420928 -3.9282069101298736" free_energy=38.05371788803586 pbc="F T T"
Mo       0.22094491       0.30205975       0.18190327     -20.33323963       0.01626571      -2.60858019
Mo       1.32183498       1.71219253      -0.07514625      21.33206065      -5.15675775       2.48066277
Mo       1.62990665      -0.21779550       1.78278197      20.36539116       6.46334369      -4.76375969
Mo       0.06210000       1.68215332       1.32702941     -21.36421219      -1.32285165       4.89167711