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https://github.com/pfloos/quack
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6 lines
158 B
Plaintext
6 lines
158 B
Plaintext
# nAt nEla nElb nCore nRyd
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2 3 2 0 0
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# Znuc x y z
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Be 0.00000000 0.00000000 0.25103976
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H 0.00000000 0.00000000 -2.24485003
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