3 Lattice="3.2688164064911844 0.0 0.0 -1.6344082032455922 2.8308780483287257 0.0 0.0 -0.0 16.922663944863157" Properties=species:S:1:pos:R:3 energy=-27.54775594606739 dipole="-1.3563786864070408e-14 5.365143740343982e-15 -3.3603237441842755e-14" free_energy=-27.547755946067394 pbc="T T F" Zr 0.00000000 0.00000000 8.46133197 O 1.63440820 0.94362602 9.42266394 O 0.00000000 1.88725203 7.50000000