forked from lijiext/lammps
33 lines
929 B
Plaintext
33 lines
929 B
Plaintext
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
|
|
|