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https://github.com/pfloos/quack
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8 lines
231 B
Plaintext
8 lines
231 B
Plaintext
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# nAt nEla nElb nCore nRyd
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4 17 16 0 0
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# Znuc x y z
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P 0.00000000 1.81994516 -0.10769248
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S 0.00000000 -1.93707861 0.02086846
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H 2.03762554 2.75934101 1.32385757
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H -2.03762554 2.75934101 1.32385757
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