4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
quack/examples/molecule.BeO
2020-01-17 13:45:02 +01:00

6 lines
168 B
Plaintext

# nAt nEla nElb nCore nRyd
2 6 6 0 0
# Znuc x y z
Be 0. 0. 0.
O 0. 0. 2.5148473456