phonopy/example/Cu-QHA/POSCAR-00

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479 B
Plaintext

Cu
1.0
3.5055823600000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 3.5055823600000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 3.5055823600000000
Cu
4
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000