20
Lattice="4.096702754129873 4.096702754129873 0.0 -4.096702754129873 4.096702754129873 0.0 0.0 0.0 8.193405508259746" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-163.82738495893915 pbc="T T T"
Ba       0.00537613      -0.04191777       0.00440344       0.00000000
Zr       2.06096066       1.98998767       2.04991772       0.00000000
O        1.80932031       2.13432000      -0.06298064       0.00000000
O       -0.06936307       2.30654010       2.10239558       0.00000000
O       -2.37528724       4.04149105       2.17466732       0.00000000
Ca       0.00231167       3.90746203       0.01402263       0.00000000
Ti       2.06677090       6.08818162       2.05322652       0.00000000
O        2.26429268       6.25719568       0.05994226       0.00000000
O        0.05298595       5.76197005       1.73460297       0.00000000
O        2.36335079       4.16773515       2.17300468       0.00000000
Ca       0.00774971      -0.17228071       4.09814853       0.00000000
Ti       2.06730546       1.99445229       6.14912071       0.00000000
O        2.25793179       2.15977618       4.15691821       0.00000000
O        0.04928094       1.66530850       5.82619246       0.00000000
O       -1.74093567       4.16714547       6.26897116       0.00000000
Ba       0.00370195       4.05778825       4.10449740       0.00000000
Zr       2.05797860       6.08625294       6.14529165       0.00000000
O        1.81146299       6.23010322       4.03275149       0.00000000
O       -0.07403748       6.40477487       6.19456493       0.00000000
O        1.71281940       4.04318664       6.27328416       0.00000000