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=77.86748133478052 stress="-15.048092368078276 0.5638422479568356 -0.6459515625548291 0.5638422479568356 -15.352012944590856 -0.33989423520996387 -0.6459515625548291 -0.33989423520996387 -15.31369073883876" free_energy=77.86748133478052 pbc="T T T"
Mo      -0.14459490       0.11115480       0.11044915       9.77765284      -7.94779674       0.47546198
Mo       1.70960170       1.31143450      -0.16166483      -7.55689675       4.20638033      -9.20568692
Mo       1.28829595      -0.16490224       1.64041416      -5.28545868      -3.94302297       3.55873414
Mo      -0.22187219       1.51878885       1.20513857       3.06470259       7.68443938       5.17149080