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QuAcK/input/molecule
2020-06-14 13:04:16 +02:00

6 lines
174 B
Plaintext

# nAt nEla nElb nCore nRyd
2 7 7 0 0
# Znuc x y z
N 0. 0. -1.04008632
N 0. 0. +1.04008632