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https://github.com/pfloos/quack
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7 lines
195 B
Plaintext
7 lines
195 B
Plaintext
# nAt nEla nElb nCore nRyd
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3 11 10 0 0
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# Znuc x y z
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C 0.00000000 0.00000000 -2.50680714
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N 0.00000000 0.00000000 -0.22402176
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O 0.00000000 0.00000000 2.07682752
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