10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 21:53:56 +01:00
QuAcK/examples/molecule.BN.1.2

5 lines
102 B
Groff

# nAt nEl nCore nRyd
2 12 4 0
# Znuc x y z
5. 0. 0. 0.6
7. 0. 0. -0.6