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=-12.432922140023352 stress="-6.998804692455666 0.5618217207607836 -0.5060269795273981 0.5618217207607836 -6.403352595752955 -0.4813538668489691 -0.5060269795273981 -0.4813538668489691 -6.536358481648518" free_energy=-12.432922140023352 pbc="T T T"
Mo      -0.14459490       0.11115480      -0.01275680      14.03372681     -13.28944319      -3.40213394
Mo       1.70960170       1.31143450       0.04092907     -18.00458148      10.20528599      -7.12202890
Mo       1.28829595      -0.09986095       1.64041416      -7.37641364      -3.85221473       0.21249891
Mo      -0.22187219       1.51878885       1.32834452      11.34726831       6.93637194      10.31166393