phonopy/example/SnO2/POSCAR-unitcell

15 lines
608 B
Plaintext

Sn O
1.0
4.7725812500000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 4.7725812500000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 3.2163793900000002
Sn O
2 4
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.1937307000000000 0.8062693000000000 0.5000000000000000
0.8062693000000000 0.1937307000000000 0.5000000000000000
0.3062693000000000 0.3062693000000000 0.0000000000000000
0.6937306999999999 0.6937306999999999 0.0000000000000000