mirror of
https://github.com/pfloos/quack
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10 lines
299 B
Plaintext
10 lines
299 B
Plaintext
# nAt nEla nElb nCore nRyd
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6 13 13 0 0
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# Znuc x y z
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C 0.00000000 0.00000000 1.29447700
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C 0.00000000 0.00000000 -1.29447700
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C 0.00000000 0.00000000 3.58448429
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C 0.00000000 0.00000000 -3.58448429
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H 0.00000000 0.00000000 5.58943003
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H 0.00000000 0.00000000 -5.58943003
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