mirror of https://github.com/phonopy/phonopy.git
141 lines
6.1 KiB
YAML
141 lines
6.1 KiB
YAML
natom: 64
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displacements:
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- atom: 1
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direction:
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[ 1.0000000000000000, 0.0000000000000000, 0.0000000000000000 ]
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displacement:
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[ 0.0200000000000000, 0.0000000000000000, 0.0000000000000000 ]
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lattice:
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- [ 20.520000000000000, 0.000000000000000, 0.000000000000000 ]
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- [ 0.000000000000000, 20.520000000000000, 0.000000000000000 ]
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- [ 0.000000000000000, 0.000000000000000, 20.520000000000000 ]
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atoms:
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- symbol: Si # 1
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position: [ 0.43750000000000, 0.43750000000000, 0.43750000000000 ]
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- symbol: Si # 2
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position: [ 0.93750000000000, 0.43750000000000, 0.43750000000000 ]
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- symbol: Si # 3
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position: [ 0.43750000000000, 0.93750000000000, 0.43750000000000 ]
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- symbol: Si # 4
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position: [ 0.93750000000000, 0.93750000000000, 0.43750000000000 ]
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- symbol: Si # 5
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position: [ 0.43750000000000, 0.43750000000000, 0.93750000000000 ]
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- symbol: Si # 6
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position: [ 0.93750000000000, 0.43750000000000, 0.93750000000000 ]
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- symbol: Si # 7
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position: [ 0.43750000000000, 0.93750000000000, 0.93750000000000 ]
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- symbol: Si # 8
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position: [ 0.93750000000000, 0.93750000000000, 0.93750000000000 ]
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- symbol: Si # 9
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position: [ 0.43750000000000, 0.18750000000000, 0.18750000000000 ]
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- symbol: Si # 10
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position: [ 0.93750000000000, 0.18750000000000, 0.18750000000000 ]
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- symbol: Si # 11
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position: [ 0.43750000000000, 0.68750000000000, 0.18750000000000 ]
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- symbol: Si # 12
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position: [ 0.93750000000000, 0.68750000000000, 0.18750000000000 ]
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- symbol: Si # 13
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position: [ 0.43750000000000, 0.18750000000000, 0.68750000000000 ]
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- symbol: Si # 14
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position: [ 0.93750000000000, 0.18750000000000, 0.68750000000000 ]
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- symbol: Si # 15
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position: [ 0.43750000000000, 0.68750000000000, 0.68750000000000 ]
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- symbol: Si # 16
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position: [ 0.93750000000000, 0.68750000000000, 0.68750000000000 ]
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- symbol: Si # 17
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position: [ 0.18750000000000, 0.43750000000000, 0.18750000000000 ]
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- symbol: Si # 18
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position: [ 0.68750000000000, 0.43750000000000, 0.18750000000000 ]
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- symbol: Si # 19
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position: [ 0.18750000000000, 0.93750000000000, 0.18750000000000 ]
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- symbol: Si # 20
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position: [ 0.68750000000000, 0.93750000000000, 0.18750000000000 ]
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- symbol: Si # 21
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position: [ 0.18750000000000, 0.43750000000000, 0.68750000000000 ]
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- symbol: Si # 22
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position: [ 0.68750000000000, 0.43750000000000, 0.68750000000000 ]
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- symbol: Si # 23
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position: [ 0.18750000000000, 0.93750000000000, 0.68750000000000 ]
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- symbol: Si # 24
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position: [ 0.68750000000000, 0.93750000000000, 0.68750000000000 ]
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- symbol: Si # 25
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position: [ 0.18750000000000, 0.18750000000000, 0.43750000000000 ]
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- symbol: Si # 26
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position: [ 0.68750000000000, 0.18750000000000, 0.43750000000000 ]
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- symbol: Si # 27
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position: [ 0.18750000000000, 0.68750000000000, 0.43750000000000 ]
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- symbol: Si # 28
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position: [ 0.68750000000000, 0.68750000000000, 0.43750000000000 ]
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- symbol: Si # 29
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position: [ 0.18750000000000, 0.18750000000000, 0.93750000000000 ]
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- symbol: Si # 30
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position: [ 0.68750000000000, 0.18750000000000, 0.93750000000000 ]
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- symbol: Si # 31
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position: [ 0.18750000000000, 0.68750000000000, 0.93750000000000 ]
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- symbol: Si # 32
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position: [ 0.68750000000000, 0.68750000000000, 0.93750000000000 ]
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- symbol: Si # 33
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position: [ 0.06250000000000, 0.06250000000000, 0.06250000000000 ]
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- symbol: Si # 34
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position: [ 0.56250000000000, 0.06250000000000, 0.06250000000000 ]
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- symbol: Si # 35
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position: [ 0.06250000000000, 0.56250000000000, 0.06250000000000 ]
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- symbol: Si # 36
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position: [ 0.56250000000000, 0.56250000000000, 0.06250000000000 ]
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- symbol: Si # 37
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position: [ 0.06250000000000, 0.06250000000000, 0.56250000000000 ]
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- symbol: Si # 38
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position: [ 0.56250000000000, 0.06250000000000, 0.56250000000000 ]
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- symbol: Si # 39
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position: [ 0.06250000000000, 0.56250000000000, 0.56250000000000 ]
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- symbol: Si # 40
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position: [ 0.56250000000000, 0.56250000000000, 0.56250000000000 ]
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- symbol: Si # 41
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position: [ 0.06250000000000, 0.31250000000000, 0.31250000000000 ]
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- symbol: Si # 42
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position: [ 0.56250000000000, 0.31250000000000, 0.31250000000000 ]
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- symbol: Si # 43
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position: [ 0.06250000000000, 0.81250000000000, 0.31250000000000 ]
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- symbol: Si # 44
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position: [ 0.56250000000000, 0.81250000000000, 0.31250000000000 ]
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- symbol: Si # 45
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position: [ 0.06250000000000, 0.31250000000000, 0.81250000000000 ]
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- symbol: Si # 46
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position: [ 0.56250000000000, 0.31250000000000, 0.81250000000000 ]
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- symbol: Si # 47
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position: [ 0.06250000000000, 0.81250000000000, 0.81250000000000 ]
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- symbol: Si # 48
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position: [ 0.56250000000000, 0.81250000000000, 0.81250000000000 ]
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- symbol: Si # 49
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position: [ 0.31250000000000, 0.06250000000000, 0.31250000000000 ]
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- symbol: Si # 50
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position: [ 0.81250000000000, 0.06250000000000, 0.31250000000000 ]
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- symbol: Si # 51
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position: [ 0.31250000000000, 0.56250000000000, 0.31250000000000 ]
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- symbol: Si # 52
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position: [ 0.81250000000000, 0.56250000000000, 0.31250000000000 ]
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- symbol: Si # 53
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position: [ 0.31250000000000, 0.06250000000000, 0.81250000000000 ]
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- symbol: Si # 54
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position: [ 0.81250000000000, 0.06250000000000, 0.81250000000000 ]
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- symbol: Si # 55
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position: [ 0.31250000000000, 0.56250000000000, 0.81250000000000 ]
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- symbol: Si # 56
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position: [ 0.81250000000000, 0.56250000000000, 0.81250000000000 ]
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- symbol: Si # 57
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position: [ 0.31250000000000, 0.31250000000000, 0.06250000000000 ]
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- symbol: Si # 58
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position: [ 0.81250000000000, 0.31250000000000, 0.06250000000000 ]
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- symbol: Si # 59
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position: [ 0.31250000000000, 0.81250000000000, 0.06250000000000 ]
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- symbol: Si # 60
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position: [ 0.81250000000000, 0.81250000000000, 0.06250000000000 ]
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- symbol: Si # 61
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position: [ 0.31250000000000, 0.31250000000000, 0.56250000000000 ]
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- symbol: Si # 62
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position: [ 0.81250000000000, 0.31250000000000, 0.56250000000000 ]
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- symbol: Si # 63
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position: [ 0.31250000000000, 0.81250000000000, 0.56250000000000 ]
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- symbol: Si # 64
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position: [ 0.81250000000000, 0.81250000000000, 0.56250000000000 ]
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