phonopy/test/phonon/POSCAR_P222_1

37 lines
1.9 KiB
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Rb In F
1.0
6.6252631400000004 0.0000000000000000 0.0000000000000000
0.0000000000000000 7.8240608500000004 0.0000000000000000
0.0000000000000000 0.0000000000000000 8.0498883899999996
Rb In F
2 6 20
Direct
0.0169617400000000 0.5000000000000000 0.5000000000000000
0.9830382600000001 0.5000000000000000 0.0000000000000000
0.5000000000000000 0.2708467800000000 0.7500000000000000
0.5000000000000000 0.7292689500000000 0.7500000000000000
0.5000000000000000 0.7291532199999999 0.2500000000000000
0.5000000000000000 0.2707310500000000 0.2500000000000000
0.0000000000000000 0.0000520100000000 0.7500000000000000
0.0000000000000000 0.9999479900000000 0.2500000000000000
0.1934927300000000 0.8002308900000000 0.8103231100000000
0.1934849200000000 0.1998606000000000 0.8103881300000000
0.9042784699999999 0.0000000000000000 0.0000000000000000
0.8065072700000000 0.8002308900000000 0.6896768900000000
0.8065072700000000 0.1997691100000000 0.3103231100000000
0.5000000000000000 0.0000584100000000 0.7500000000000000
0.6823453200000000 0.5000500000000000 0.7234366400000001
0.8065150800000001 0.8001393999999999 0.3103881300000000
0.4146566400000000 0.2837495200000000 0.5000014400000000
0.5853433600000000 0.7162504800000000 0.0000014400000000
0.1934849200000000 0.8001393999999999 0.1896118700000000
0.4146566400000000 0.7162504800000000 0.4999985600000000
0.8065150800000001 0.1998606000000000 0.6896118700000000
0.1934927300000000 0.1997691100000000 0.1896768900000000
0.3176546800000000 0.5000500000000000 0.7765633600000000
0.5853433600000000 0.2837495200000000 0.9999985600000000
0.5000000000000000 0.9999415900000000 0.2500000000000000
0.6823453200000000 0.4999500000000000 0.2765633600000000
0.3176546800000000 0.4999500000000000 0.2234366400000000
0.0957215300000000 0.0000000000000000 0.5000000000000000