10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 05:33:50 +01:00
QuAcK/input/molecule
2020-01-25 15:49:09 +01:00

6 lines
157 B
Plaintext

# nAt nEla nElb nCore nRyd
2 7 7 0 0
# Znuc x y z
N 0. 0. 0.
N 0. 0. 3.4