10
1
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QuAcK/input/molecule
2020-01-28 09:00:11 +01:00

6 lines
158 B
Plaintext

# nAt nEla nElb nCore nRyd
2 9 9 0 0
# Znuc x y z
H 0. 0. 0.
Cl 0. 0. 2.41