4
1
mirror of https://github.com/pfloos/quack synced 2024-11-07 06:33:55 +01:00
quack/examples/molecule.N2

6 lines
152 B
Plaintext

# nAt nEl nCore nRyd
2 14 0 0
# Znuc x y z
7. 0. 0. 0.
7. 0. 0. 2.704