mirror of
https://github.com/triqs/dft_tools
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30 lines
1017 B
Plaintext
30 lines
1017 B
Plaintext
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LuNiO3, low-T, P2_1/n
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1.0
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5.1234998703 0.0000000000 0.0000000000
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0.0000000000 5.5089001656 0.0000000000
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-0.0166880521 0.0000000000 7.3551808822
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Lu Ni O
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4 4 12
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Kartesian
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5.00246185 0.42418531 1.86086070
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0.10434997 5.08471473 5.49431996
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2.67444393 3.17863552 1.81672974
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2.43236789 2.33026481 5.53845136
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2.56174994 0.00000000 0.00000000
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-0.00834403 2.75445008 3.67759044
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2.55340591 0.00000000 3.67759044
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0.00000000 2.75445008 0.00000000
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0.56002379 2.54896816 1.79539968
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4.54678788 2.95993201 5.55978141
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1.99338212 5.30341824 1.88219076
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3.11342985 0.20548193 5.47298991
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3.55122302 1.72814193 0.39644425
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1.55558880 3.78075840 6.95873661
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4.12568276 4.48259185 3.28114617
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0.98112906 1.02630815 4.07403471
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0.93260966 1.11059427 6.94181952
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4.17420208 4.39830581 0.41336136
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1.60410812 3.86504444 4.09095181
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3.50270370 1.64385573 3.26422908
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