3 Lattice="3.4804426417423304 -6.840240826195444e-18 0.0 -2.3071935190992235e-18 3.4804422972260474 0.0 -1.4595960685590086e-18 0.0 18.40825468531916" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-26.80497881226851 dipole="4.807800033452927e-14 -6.2335411452351615e-15 -1.020217208312678e-07" free_energy=-26.80497881226854 pbc="T T F" Zr -0.00000000 0.00000000 9.20412643 0.00000000 O -0.00000000 1.74022115 10.14263500 0.00000000 O 1.74022132 0.00000000 8.26561816 0.00000000