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https://github.com/pfloos/quack
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7 lines
194 B
Plaintext
7 lines
194 B
Plaintext
# nAt nEla nElb nCore nRyd
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3 5 4 0 0
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# Znuc x y z
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N 0.00000000 0.00000000 0.15111603
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H 0.00000000 1.51574744 -1.04982949
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H 0.00000000 -1.51574744 -1.04982949
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