20
Lattice="4.281345928549822 4.281345928549822 0.0 -4.281345928549822 4.281345928549822 0.0 0.0 0.0 8.562691857099644" Properties=species:S:1:pos:R:3 energy=-166.6666633248907 pbc="T T T"
Ba       0.00000000      -0.00048655      -0.00128216
Zr       2.14066338       2.14069699       2.14067296
O        2.14071361       2.14006647      -0.00008097
O        0.00000000       2.14222799       2.14067296
O       -2.13994769       4.28131436       2.14067296
Ba       0.00000000       4.28072132       0.00142558
Zr       2.14068255       6.42204292       2.14067296
O        2.14063232       6.42141240      -0.00008097
O        0.00000000       6.42133659       2.14067296
O        2.13994769       4.28131436       2.14067296
Ba       0.00000000      -0.00048655       4.28262809
Zr       2.14089998       2.14164339       6.42201889
O        2.14071361       2.14006647       4.28142690
O        0.00000000       2.14338109       6.42201889
O       -2.13189398       4.28859605       6.42201889
Ba       0.00000000       4.28072132       4.27992035
Zr       2.14044595       6.42298932       6.42201889
O        2.14063232       6.42141240       4.28142690
O        0.00000000       6.44713529       6.42201889
O        2.13189398       4.28859605       6.42201889