4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
quack/examples/molecule.BeO

6 lines
159 B
Plaintext
Raw Normal View History

2019-03-19 10:18:03 +01:00
# nAt nEl nCore nRyd
2 12 4 10
# Znuc x y z
4. 0. 0. 0.
8. 0. 0. 2.5148473456