phonopy/example/SiO2-HP/POSCAR-unitcell

21 lines
906 B
Plaintext

Si O
1.00000000000000
4.0444481195475825 0.0000000000000000 0.0000000000000000
0.0000000000000000 4.0444481195475825 0.0000000000000000
0.0000000000000000 0.0000000000000000 2.6211679887202837
2 4
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.3030082337326380 0.3030082337326380 0.0000000000000000
0.6969917662673621 0.6969917662673621 0.0000000000000000
0.1969917662673621 0.8030082337326379 0.5000000000000000
0.8030082337326379 0.1969917662673621 0.5000000000000000
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00