mirror of https://github.com/phonopy/phonopy.git
27 lines
1.3 KiB
Plaintext
27 lines
1.3 KiB
Plaintext
O S Ca
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1.0
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6.9595778700000004 0.0000000000000000 0.0000000000000000
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-3.4797889400000002 6.0271712300000004 0.0000000000000000
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0.0000000000000000 0.0000000000000000 6.2553656699999998
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O S Ca
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12 3 3
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Direct
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0.6903421900000000 0.5533307000000001 0.6903583600000001
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0.8629885100000000 0.3096578100000000 0.0236917000000000
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0.4466693000000000 0.1370114900000000 0.3570250300000000
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0.5533307000000001 0.8629885100000000 0.3570250300000000
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0.1370114900000000 0.4466693000000000 0.3096416400000000
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0.3096578100000000 0.4466693000000000 0.6903583600000001
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0.8629885100000000 0.5533307000000001 0.3096416400000000
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0.5533307000000001 0.6903421900000000 0.9763083000000000
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0.3096578100000000 0.8629885100000000 0.6429749700000000
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0.6903421900000000 0.1370114900000000 0.6429749700000000
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0.4466693000000000 0.3096578100000000 0.9763083000000000
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0.1370114900000000 0.6903421900000000 0.0236917000000000
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0.5000000000000000 0.0000000000000000 0.5000000000000000
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0.5000000000000000 0.5000000000000000 0.8333333300000000
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0.0000000000000000 0.5000000000000000 0.1666666700000000
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0.5000000000000000 0.0000000000000000 0.0000000000000000
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0.5000000000000000 0.5000000000000000 0.3333333300000000
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0.0000000000000000 0.5000000000000000 0.6666666700000000
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