45
Lattice="4.1 0.0 0.0 0.0 4.1 0.0 0.0 0.0 36.9" Properties=species:S:1:pos:R:3:initial_charges:R:1 energy=-346.023973 dipole="-31.44566483 -32.53125051 -32.06131635" 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