20
Lattice="4.065939556159982 4.065939556159982 0.0 -4.065939556159982 4.065939556159982 0.0 0.0 0.0 8.131879112319965" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-159.66765842770124 pbc="T T T"
Pb       0.02921695      -0.02001969       0.10849971       0.00000000
Zr       2.06373579       1.97647575       2.05619519       0.00000000
O        1.65795286       2.06075285      -0.05052102       0.00000000
O       -0.10340373       2.30220042       2.25349541       0.00000000
O       -2.44386278       4.01132335       2.15047903       0.00000000
Ca       0.01327209       3.91104568       0.01633040       0.00000000
Ti       2.04595114       6.04991411       2.06496686       0.00000000
O        2.32175164       6.24006522       0.07166324       0.00000000
O        0.02522516       5.72684653       1.63276519       0.00000000
O        2.34372739       4.13145439       2.06554260       0.00000000
Ca       0.02129949      -0.13696871       4.06455732       0.00000000
Ti       2.07164214       1.99412526       6.13509572       0.00000000
O        2.29287952       2.20367312       4.13847816       0.00000000
O       -0.00313182       1.67316331       5.69640296       0.00000000
O       -1.74409339       4.14358753       6.14375556       0.00000000
Pb       0.03345948       3.95499741       4.17041302       0.00000000
Zr       2.04312483       6.04119551       6.12161418       0.00000000
O        1.65837752       6.12879721       4.00997587       0.00000000
O       -0.12032129       6.41300247       6.31145644       0.00000000
O        1.58139506       4.01698580       6.23250875       0.00000000