4 Lattice="4.143237416410978 2.5837569367791033e-19 0.0 1.6519329010384648e-18 4.143237634352636 0.0 1.0667565507415447e-18 0.0 17.7829762" Properties=species:S:1:pos:R:3 energy=-32.28591706768974 dipole="1.431472064618263e-14 -1.7303332961675678e-14 1.928336378103158e-09" free_energy=-32.294203347497124 pbc="T T F" Zr 0.00000000 0.00000000 8.89148760 Zr 2.07161871 2.07161882 8.89148879 O -0.00000000 2.07161882 8.26111070 O 2.07161871 -0.00000000 9.52186570