4
1
mirror of https://github.com/pfloos/quack synced 2024-11-14 18:13:59 +01:00
quack/examples/molecule.O2
2020-01-17 13:45:02 +01:00

6 lines
171 B
Plaintext

# nAt nEla nElb nCore nRyd
2 8 8 0 0
# Znuc x y z
O 0. 0. -1.13384
O 0. 0. +1.13384