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https://github.com/triqs/dft_tools
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29 lines
1.4 KiB
Plaintext
29 lines
1.4 KiB
Plaintext
LuNiO3, exp. low-T
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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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Direct
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0.977199972 0.077000000 0.252999991
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0.022800028 0.922999978 0.746999979
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0.522800028 0.577000022 0.247000009
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0.477199972 0.423000008 0.753000021
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0.500000000 0.000000000 0.000000000
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0.000000000 0.500000000 0.500000000
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0.500000000 0.000000000 0.500000000
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0.000000000 0.500000000 0.000000000
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0.110100001 0.462700009 0.244100004
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0.889899969 0.537299991 0.755900025
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0.389899999 0.962700009 0.255899996
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0.610100031 0.037299991 0.744099975
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0.693300009 0.313699991 0.053900000
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0.306699991 0.686300039 0.946099997
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0.806699991 0.813699961 0.446099997
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0.193300009 0.186300009 0.553900003
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0.185100004 0.201600000 0.943799973
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0.814899981 0.798399985 0.056200027
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0.314899981 0.701600015 0.556200027
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0.685100019 0.298399985 0.443799973
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