phonopy/test/phonon/POSCAR_I4_1a

33 lines
1.7 KiB
Plaintext

O Ge Zr
1.0
4.8679078499999999 0.0000000000000000 0.0000000000000000
0.0000000000000000 4.8679078499999999 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.5342635500000004
O Ge Zr
16 4 4
Direct
0.3260195100000000 0.7330777600000000 0.8328352600000000
0.2330777600000000 0.6739804899999999 0.5828352600000000
0.7669222400000000 0.3260195100000000 0.5828352600000000
0.6739804899999999 0.2669222400000000 0.8328352600000000
0.3260195100000000 0.2330777600000000 0.4171647400000000
0.2330777600000000 0.1739804900000000 0.6671647400000000
0.7669222400000000 0.8260195100000001 0.6671647400000000
0.6739804899999999 0.7669222400000000 0.4171647400000000
0.8260195100000001 0.2330777600000000 0.3328352600000000
0.7330777600000000 0.1739804900000000 0.0828352600000000
0.2669222400000000 0.8260195100000001 0.0828352600000000
0.1739804900000000 0.7669222400000000 0.3328352600000000
0.8260195100000001 0.7330777600000000 0.9171647400000000
0.7330777600000000 0.6739804899999999 0.1671647400000000
0.2669222400000000 0.3260195100000000 0.1671647400000000
0.1739804900000000 0.2669222400000000 0.9171647400000000
0.5000000000000000 0.0000000000000000 0.7500000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.0000000000000000 0.5000000000000000 0.2500000000000000
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.7500000000000000
0.0000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.2500000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000