10
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:42 +01:00
QuAcK/examples/molecule.BH
2020-01-17 13:45:02 +01:00

6 lines
167 B
Plaintext

# nAt nEla nElb nCore nRyd
2 3 3 0 0
# Znuc x y z
H 0. 0. 0.
B 0. 0. 2.3281424179