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=-1.2620991716694836 stress="-1.9721396058395786 -0.5312000502445648 0.6488349387595226 -0.5312000502445648 -4.182414186879086 0.22666794624446163 0.6488349387595226 0.22666794624446163 -3.813021579345536" free_energy=-1.2620991716694836 pbc="F T T"
Mo       0.22094491       0.30205975       0.23042800     -16.80111937      -7.52738632      -5.19937679
Mo       1.32183498       1.71219253      -0.07514625      19.44482297     -11.87634788       6.22925727
Mo       1.62990665      -0.21779550       1.78278197      20.04151345      19.45338036     -15.65235229
Mo       0.06210000       1.63362859       1.32702941     -22.68521704      -0.04964616      14.62247181