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https://github.com/pfloos/quack
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8 lines
250 B
Plaintext
8 lines
250 B
Plaintext
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# nAt nEla nElb nCore nRyd
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4 7 7 0 0
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# Znuc x y z
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C 0.00000000 0.00000000 +1.14048351
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C 0.00000000 0.00000000 -1.14048351
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H 0.00000000 0.00000000 +3.14009043
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H 0.00000000 0.00000000 -3.14009043
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