mirror of
https://github.com/pfloos/quack
synced 2024-11-09 07:33:48 +01:00
8 lines
250 B
Plaintext
8 lines
250 B
Plaintext
|
# nAt nEla nElb nCore nRyd
|
||
|
|
4 7 7 0 0
|
||
|
|
# Znuc x y z
|
||
|
|
C 0.00000000 0.00000000 +1.14048351
|
||
|
|
C 0.00000000 0.00000000 -1.14048351
|
||
|
|
H 0.00000000 0.00000000 +3.14009043
|
||
|
|
H 0.00000000 0.00000000 -3.14009043
|