20 Lattice="4.035924325894084 4.035924325894084 0.0 -4.035924325894084 4.035924325894084 0.0 0.0 0.0 8.071848651788168" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-145.87035385696464 pbc="T T T" Pb 0.00055866 -0.00106276 -0.00188580 0.00000000 Zr 2.01797687 2.01787067 2.01793212 0.00000000 O 2.01867034 2.01821873 -0.08399133 0.00000000 O -0.08450170 2.01953889 2.01864667 0.00000000 O -2.01718788 3.95141287 2.01838449 0.00000000 Ca -0.00048322 4.03414137 0.00317017 0.00000000 Ge 2.01794747 6.05378901 2.01792646 0.00000000 O 2.01710434 6.05375020 0.08372671 0.00000000 O 0.08449373 6.05343992 2.01799255 0.00000000 O 2.01719173 4.12040910 2.01838324 0.00000000 Ca 0.00047278 -0.00165186 4.03902487 0.00000000 Ge 2.01815486 2.02076198 6.05368276 0.00000000 O 2.01744690 2.01820552 4.11969804 0.00000000 O 0.08452241 2.01857708 6.05384505 0.00000000 O -2.00728120 4.12698196 6.05476426 0.00000000 Pb -0.00057177 4.03476469 4.03400492 0.00000000 Zr 2.01804889 6.05647457 6.05335700 0.00000000 O 2.01870535 6.05373649 3.95200612 0.00000000 O -0.08684114 6.08003648 6.05106207 0.00000000 O 2.00720501 3.95773411 6.05475806 0.00000000