4
1
mirror of https://github.com/pfloos/quack synced 2024-06-26 23:22:20 +02:00
quack/examples/molecule.Mg

5 lines
113 B
Plaintext

# nAt nEl nCore nRyd
1 12 0 0
# Znuc x y z
12. 0.0 0.0 0.0