Created by AJB

14 atoms
3 atom types

-5000.0 5000.0 xlo xhi
-5000.0 5000.0 ylo yhi
-5000.0 5000.0 zlo zhi

Masses

1 12.01070 # C nuclei mass
2 1.000794 # H nuclei mass
3 1.000000 # electron mass

Atoms

1 1 0.000000 -0.000000 0.000000 6.000000 0 0.0
2 2 1.247211 1.247211 1.247211 1.000000 0 0.0
3 2 -1.247211 -1.247211 1.247211 1.000000 0 0.0
4 2 1.247211 -1.247211 -1.247211 1.000000 0 0.0
5 2 -1.247211 1.247211 -1.247211 1.000000 0 0.0
6 3 -0.000000 0.000000 -0.000000 0.000000 -1 0.329128 
7 3 0.979221 0.979221 0.979221 0.000000 -1 1.486181
8 3 -0.979221 -0.979221 0.979221 0.000000 -1 1.486181
9 3 0.979221 -0.979221 -0.979221 0.000000 -1 1.486181
10 3 -0.979221 0.979221 -0.979221 0.000000 -1 1.486181
11 3 -0.000000 0.000000 0.000000 0.000000 1 0.329128
12 3 -0.979221 -0.979221 0.979221 0.000000 1 1.486181
13 3 0.979221 -0.979221 -0.979221 0.000000 1 1.486181
14 3 -0.979221 0.979221 -0.979221 0.000000 1 1.486181