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lammps/examples/USER/eff/CH4/data.ch4_ionized
ef3307c36988lammm-master

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data.ch4_ionized
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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 6.000000 0 0.0 0.000000 -0.000000 0.000000
2 2 1.000000 0 0.0 1.247211 1.247211 1.247211
3 2 1.000000 0 0.0 -1.247211 -1.247211 1.247211
4 2 1.000000 0 0.0 1.247211 -1.247211 -1.247211
5 2 1.000000 0 0.0 -1.247211 1.247211 -1.247211
6 3 0.000000 -1 0.329128 -0.000000 0.000000 -0.000000
7 3 0.000000 -1 1.486181 0.979221 0.979221 0.979221
8 3 0.000000 -1 1.486181 -0.979221 -0.979221 0.979221
9 3 0.000000 -1 1.486181 0.979221 -0.979221 -0.979221
10 3 0.000000 -1 1.486181 -0.979221 0.979221 -0.979221
11 3 0.000000 1 0.329128 -0.000000 0.000000 0.000000
12 3 0.000000 1 1.486181 -0.979221 -0.979221 0.979221
13 3 0.000000 1 1.486181 0.979221 -0.979221 -0.979221
14 3 0.000000 1 1.486181 -0.979221 0.979221 -0.979221
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