mirror of https://github.com/phonopy/phonopy.git
70 lines
4.3 KiB
Plaintext
70 lines
4.3 KiB
Plaintext
# geometry.in for FHI-aims
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# | generated by phonopy.FHIaims.write_aims()
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lattice_vector 7.1235442500000001 0.0000000000000000 0.0000000000000000
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lattice_vector 0.0000000000000000 7.1235442500000001 0.0000000000000000
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lattice_vector 0.0000000000000000 0.0000000000000000 7.1235442500000001
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atom 0.0100000000000000 0.0000000000000000 0.0000000000000000 C
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atom 3.5617721250000001 0.0000000000000000 0.0000000000000000 C
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atom 0.0000000000000000 3.5617721250000001 0.0000000000000000 C
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atom 3.5617721250000001 3.5617721250000001 0.0000000000000000 C
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atom 0.0000000000000000 0.0000000000000000 3.5617721250000001 C
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atom 3.5617721250000001 0.0000000000000000 3.5617721250000001 C
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atom 0.0000000000000000 3.5617721250000001 3.5617721250000001 C
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atom 3.5617721250000001 3.5617721250000001 3.5617721250000001 C
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atom 0.8904430312500000 0.8904430312500000 0.8904430312500000 C
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atom 4.4522151562500003 0.8904430312500000 0.8904430312500000 C
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atom 0.8904430312500000 4.4522151562500003 0.8904430312500000 C
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atom 4.4522151562500003 4.4522151562500003 0.8904430312500000 C
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atom 0.8904430312500000 0.8904430312500000 4.4522151562500003 C
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atom 4.4522151562500003 0.8904430312500000 4.4522151562500003 C
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atom 0.8904430312500000 4.4522151562500003 4.4522151562500003 C
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atom 4.4522151562500003 4.4522151562500003 4.4522151562500003 C
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atom 1.7808860625000000 1.7808860625000000 0.0000000000000000 C
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atom 5.3426581874999997 1.7808860625000000 0.0000000000000000 C
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atom 1.7808860625000000 5.3426581874999997 0.0000000000000000 C
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atom 5.3426581874999997 5.3426581874999997 0.0000000000000000 C
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atom 1.7808860625000000 1.7808860625000000 3.5617721250000001 C
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atom 5.3426581874999997 1.7808860625000000 3.5617721250000001 C
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atom 1.7808860625000000 5.3426581874999997 3.5617721250000001 C
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atom 5.3426581874999997 5.3426581874999997 3.5617721250000001 C
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atom 2.6713290937499998 2.6713290937499998 0.8904430312500000 C
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atom 6.2331012187499999 2.6713290937499998 0.8904430312500000 C
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atom 2.6713290937499998 6.2331012187499999 0.8904430312500000 C
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atom 6.2331012187499999 6.2331012187499999 0.8904430312500000 C
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atom 2.6713290937499998 2.6713290937499998 4.4522151562500003 C
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atom 6.2331012187499999 2.6713290937499998 4.4522151562500003 C
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atom 2.6713290937499998 6.2331012187499999 4.4522151562500003 C
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atom 6.2331012187499999 6.2331012187499999 4.4522151562500003 C
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atom 1.7808860625000000 0.0000000000000000 1.7808860625000000 C
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atom 5.3426581874999997 0.0000000000000000 1.7808860625000000 C
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atom 1.7808860625000000 3.5617721250000001 1.7808860625000000 C
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atom 5.3426581874999997 3.5617721250000001 1.7808860625000000 C
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atom 1.7808860625000000 0.0000000000000000 5.3426581874999997 C
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atom 5.3426581874999997 0.0000000000000000 5.3426581874999997 C
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atom 1.7808860625000000 3.5617721250000001 5.3426581874999997 C
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atom 5.3426581874999997 3.5617721250000001 5.3426581874999997 C
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atom 2.6713290937499998 0.8904430312500000 2.6713290937499998 C
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atom 6.2331012187499999 0.8904430312500000 2.6713290937499998 C
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atom 2.6713290937499998 4.4522151562500003 2.6713290937499998 C
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atom 6.2331012187499999 4.4522151562500003 2.6713290937499998 C
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atom 2.6713290937499998 0.8904430312500000 6.2331012187499999 C
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atom 6.2331012187499999 0.8904430312500000 6.2331012187499999 C
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atom 2.6713290937499998 4.4522151562500003 6.2331012187499999 C
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atom 6.2331012187499999 4.4522151562500003 6.2331012187499999 C
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atom 0.0000000000000000 1.7808860625000000 1.7808860625000000 C
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atom 3.5617721250000001 1.7808860625000000 1.7808860625000000 C
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atom 0.0000000000000000 5.3426581874999997 1.7808860625000000 C
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atom 3.5617721250000001 5.3426581874999997 1.7808860625000000 C
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atom 0.0000000000000000 1.7808860625000000 5.3426581874999997 C
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atom 3.5617721250000001 1.7808860625000000 5.3426581874999997 C
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atom 0.0000000000000000 5.3426581874999997 5.3426581874999997 C
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atom 3.5617721250000001 5.3426581874999997 5.3426581874999997 C
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atom 0.8904430312500000 2.6713290937499998 2.6713290937499998 C
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atom 4.4522151562500003 2.6713290937499998 2.6713290937499998 C
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atom 0.8904430312500000 6.2331012187499999 2.6713290937499998 C
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atom 4.4522151562500003 6.2331012187499999 2.6713290937499998 C
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atom 0.8904430312500000 2.6713290937499998 6.2331012187499999 C
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atom 4.4522151562500003 2.6713290937499998 6.2331012187499999 C
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atom 0.8904430312500000 6.2331012187499999 6.2331012187499999 C
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atom 4.4522151562500003 6.2331012187499999 6.2331012187499999 C
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