3 Lattice="2.908133370672663 -2.0695620161285952e-20 0.0 -1.4540666853363315 2.5185173765957933 0.0 -9.542607490805329e-20 0.0 17.326908275011306" Properties=species:S:1:pos:R:3 energy=-26.458158335077673 dipole="8.601924730266e-13 -5.001637194898598e-13 -6.534688771235053e-12" free_energy=-26.46537626436447 pbc="T T F" Mo -0.00000000 -0.00000000 8.66345414 O 1.45406669 0.83950579 9.83248729 O -0.00000000 1.67901158 7.49442098