50 Lattice="4.1 0.0 0.0 0.0 4.1 0.0 0.0 0.0 41.0" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-389.87395 dipole="-34.95866485 -36.31609717 -35.6225512" 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 Sn 2.05000000 2.05000000 6.15000000 0.00000000 O 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 Sn 2.05000000 2.05000000 10.25000000 0.00000000 O 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 Sn 2.05000000 2.05000000 14.35000000 0.00000000 O 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 Ba 0.00000000 0.00000000 16.40000000 0.00000000 Sn 2.05000000 2.05000000 18.45000000 0.00000000 O 2.05000000 0.00000000 18.45000000 0.00000000 O 2.05000000 2.05000000 16.40000000 0.00000000 O 0.00000000 2.05000000 18.45000000 0.00000000 Ba 0.00000000 0.00000000 20.50000000 0.00000000 Ta 2.05000000 2.05000000 22.55000000 0.00000000 N 2.05000000 0.00000000 22.55000000 0.00000000 O 2.05000000 2.05000000 20.50000000 0.00000000 O 0.00000000 2.05000000 22.55000000 0.00000000 Ba 0.00000000 0.00000000 24.60000000 0.00000000 Ta 2.05000000 2.05000000 26.65000000 0.00000000 N 2.05000000 0.00000000 26.65000000 0.00000000 O 2.05000000 2.05000000 24.60000000 0.00000000 O 0.00000000 2.05000000 26.65000000 0.00000000 Ba 0.00000000 0.00000000 28.70000000 0.00000000 Ta 2.05000000 2.05000000 30.75000000 0.00000000 N 2.05000000 0.00000000 30.75000000 0.00000000 O 2.05000000 2.05000000 28.70000000 0.00000000 O 0.00000000 2.05000000 30.75000000 0.00000000 Ba 0.00000000 0.00000000 32.80000000 0.00000000 Ta 2.05000000 2.05000000 34.85000000 0.00000000 N 2.05000000 0.00000000 34.85000000 0.00000000 O 2.05000000 2.05000000 32.80000000 0.00000000 O 0.00000000 2.05000000 34.85000000 0.00000000 Ba 0.00000000 0.00000000 36.90000000 0.00000000 Ta 2.05000000 2.05000000 38.95000000 0.00000000 N 2.05000000 0.00000000 38.95000000 0.00000000 O 2.05000000 2.05000000 36.90000000 0.00000000 O 0.00000000 2.05000000 38.95000000 0.00000000