mirror of https://github.com/phonopy/phonopy.git
15 lines
591 B
YAML
15 lines
591 B
YAML
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lattice:
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- [ 7.299832051547488, -4.214559999999998, 0.000000000000001 ] # a
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- [ 0.000000000000000, 8.429119999999999, 0.000000000000001 ] # b
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- [ 0.000000000000000, 0.000000000000000, 9.701070000000000 ] # c
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points:
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- symbol: Ba # 1
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coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ]
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mass: 137.327000
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- symbol: Ga # 2
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coordinates: [ 0.333333330000000, 0.666666670000000, 0.500000000000000 ]
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mass: 69.723000
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- symbol: Ga # 3
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coordinates: [ 0.666666670000000, 0.333333330000000, 0.500000000000000 ]
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mass: 69.723000
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