mirror of https://github.com/phonopy/phonopy.git
30 lines
1.1 KiB
YAML
30 lines
1.1 KiB
YAML
lattice:
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- [ 5.459999999999999, 0.000000000000000, 0.000000000000000 ] # a
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- [ 0.000000000000000, 5.459999999999999, 0.000000000000000 ] # b
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- [ -0.000000000000000, -0.000000000000000, 5.459999999999999 ] # c
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points:
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- symbol: Si # 1
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coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ]
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mass: 28.085500
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- symbol: Si # 2
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coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ]
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mass: 28.085500
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- symbol: Si # 3
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coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ]
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mass: 28.085500
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- symbol: Si # 4
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coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ]
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mass: 28.085500
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- symbol: Si # 5
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coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ]
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mass: 28.085500
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- symbol: Si # 6
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coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ]
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mass: 28.085500
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- symbol: Si # 7
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coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ]
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mass: 28.085500
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- symbol: Si # 8
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coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ]
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mass: 28.085500
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