mirror of https://github.com/phonopy/phonopy.git
13 lines
550 B
Plaintext
13 lines
550 B
Plaintext
Ca Ti O
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1.0
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3.8853256900000002 0.0000000000000000 0.0000000000000000
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0.0000000000000000 3.8853256900000002 0.0000000000000000
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0.0000000000000000 0.0000000000000000 3.8853256900000002
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1 1 3
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Direct
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0.0000000000000000 0.0000000000000000 0.0000000000000000
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0.5000000000000000 0.5000000000000000 0.5000000000000000
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0.0000000000000000 0.5000000000000000 0.5000000000000000
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0.5000000000000000 0.0000000000000000 0.5000000000000000
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0.5000000000000000 0.5000000000000000 0.0000000000000000
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