3 Lattice="2.8204989641994285 0.0 0.0 -1.4102494820997142 2.442623754344401 0.0 0.0 -0.0 17.450000716738643" Properties=species:S:1:pos:R:3 energy=-27.388485119966422 dipole="0.8442606984745117 -0.4874341415304762 -1.6793185867426306e-14" free_energy=-27.388485823911303 pbc="T T F" Mo 0.00000000 0.00000000 8.72500036 O 1.41024948 0.81420792 9.95000072 O 1.41024948 0.81420792 7.50000000