4
1
mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
quack/examples/molecule.N2

6 lines
174 B
Plaintext

# nAt nEla nElb nCore nRyd
2 7 7 0 0
# Znuc x y z
N 0. 0. -1.04008632
N 0. 0. +1.04008632