mirror of
https://github.com/pfloos/quack
synced 2024-11-12 17:13:57 +01:00
7 lines
221 B
Plaintext
7 lines
221 B
Plaintext
# nAt nEla nElb nCore nRyd
|
|
3 5 5 0 0
|
|
# Znuc x y z
|
|
O 0. 0. -0.13209669
|
|
H 0. 1.43152878 0.97970006
|
|
H 0. -1.43152878 0.97970006
|