Spaces:
Running
Running
File size: 361 Bytes
dfef45c |
1 2 3 4 5 6 7 8 |
5
Lattice="4.2 0.0 0.0 0.0 4.2 0.0 0.0 0.0 4.2" Properties=species:S:1:pos:R:3 pbc="T T T"
Ba 0.00000000 0.00000000 0.00000000
Zr 2.10000000 2.10000000 2.10000000
O 2.10000000 2.10000000 0.00000000
O 2.10000000 0.00000000 2.10000000
O 0.00000000 2.10000000 2.10000000
|