4 Lattice="3.5445887658045105 -3.992925207607221e-18 0.0 -9.975042420602307e-18 3.5445887816997073 0.0 -2.9535958010642707e-17 0.0 17.5404762" Properties=species:S:1:pos:R:3 energy=-34.758220276730114 dipole="7.048356734567226e-08 7.048357665033024e-08 5.5578216748984846e-11" free_energy=-34.766621536963406 pbc="T T F" Mo -0.00000000 0.00000000 8.77023810 Mo 1.77229439 1.77229440 8.77023810 O -0.00000000 1.77229440 7.51143320 O 1.77229439 -0.00000000 10.02904301