10
1
mirror of https://github.com/pfloos/quack synced 2024-07-04 10:26:03 +02:00
QuAcK/examples/molecule.LiF

6 lines
155 B
Plaintext

# nAt nEl nCore nRyd
2 12 4 0
# Znuc x y z
3. 0. 0. 0.000
9. 0. 0. 2.955