10
1
mirror of https://github.com/pfloos/quack synced 2024-07-03 09:56:04 +02:00
QuAcK/examples/molecule.O2

6 lines
159 B
Plaintext

# nAt nEl nCore nRyd
2 16 4 0
# Znuc x y z
8. 0. 0. -1.13384
8. 0. 0. +1.13384