20 Lattice="4.1 0.0 0.0 0.0 4.1 0.0 0.0 0.0 16.4" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-165.710044 dipole="-14.01725197 -14.83103569 -14.25301005" pbc="T T T" Ba 0.00000000 0.00000000 0.00000000 0.00000000 Sn 2.05000000 2.05000000 2.05000000 0.00000000 O 2.05000000 0.00000000 2.05000000 0.00000000 O 2.05000000 2.05000000 0.00000000 0.00000000 O 0.00000000 2.05000000 2.05000000 0.00000000 Ba 0.00000000 0.00000000 4.10000000 0.00000000 Ta 2.05000000 2.05000000 6.15000000 0.00000000 N 2.05000000 0.00000000 6.15000000 0.00000000 O 2.05000000 2.05000000 4.10000000 0.00000000 O 0.00000000 2.05000000 6.15000000 0.00000000 Ba 0.00000000 0.00000000 8.20000000 0.00000000 Ta 2.05000000 2.05000000 10.25000000 0.00000000 N 2.05000000 0.00000000 10.25000000 0.00000000 O 2.05000000 2.05000000 8.20000000 0.00000000 O 0.00000000 2.05000000 10.25000000 0.00000000 Ba 0.00000000 0.00000000 12.30000000 0.00000000 Ta 2.05000000 2.05000000 14.35000000 0.00000000 N 2.05000000 0.00000000 14.35000000 0.00000000 O 2.05000000 2.05000000 12.30000000 0.00000000 O 0.00000000 2.05000000 14.35000000 0.00000000