4
1
mirror of https://github.com/pfloos/quack synced 2024-10-31 19:23:52 +01:00
quack/input/molecule
2020-06-04 13:08:31 +02:00

5 lines
126 B
Plaintext

# nAt nEla nElb nCore nRyd
1 2 2 0 0
# Znuc x y z
Be 0.0 0.0 0.0