phonopy/example/TiO2-anatase/POSCAR-unitcell

20 lines
977 B
Plaintext

Ti O
1.0
3.8263245523456582 0.0000000000000000 0.0000000000000000
0.0000000000000000 3.8263245523456582 0.0000000000000000
0.0000000000000000 0.0000000000000000 9.6579494440577296
4 8
Direct
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