mirror of
https://github.com/pfloos/quack
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10 lines
344 B
Plaintext
10 lines
344 B
Plaintext
# nAt nEla nElb nCore nRyd
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6 8 8 0 0
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# Znuc x y z
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C 0.00000000 1.26026583 0.00000000
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C 0.00000000 -1.26026583 0.00000000
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H 0.00000000 2.32345976 1.74287672
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H 0.00000000 -2.32345976 1.74287672
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H 0.00000000 2.32345976 -1.74287672
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H 0.00000000 -2.32345976 -1.74287672
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