mirror of https://github.com/phonopy/phonopy.git
14 lines
559 B
Plaintext
14 lines
559 B
Plaintext
O Ti Ba
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1.0
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3.9633164000000001 0.0000000000000000 0.0000000000000000
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0.0000000000000000 3.9633164000000001 0.0000000000000000
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0.0000000000000000 0.0000000000000000 4.0430561500000000
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O Ti Ba
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3 1 1
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Direct
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0.0000000000000000 0.5000000000000000 0.0641796700000000
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0.5000000000000000 0.0000000000000000 0.0641796700000000
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0.0000000000000000 0.0000000000000000 0.5542141000000000
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0.0000000000000000 0.0000000000000000 0.0964643200000000
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0.5000000000000000 0.5000000000000000 0.5809622200000000
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