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https://github.com/pfloos/quack
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6 lines
165 B
Plaintext
6 lines
165 B
Plaintext
# nAt nEla nElb nCore nRyd
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2 3 3 0 0
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# Znuc x y z
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C 0. 0. 0.
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H 0. 0. 2.13709127
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