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lammps/test/01_run_std/molecule.dimer
2015-08-19 08:01:35 -04:00

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# dimer molecule
2 atoms
1 bonds
Coords
1 0 0 0
2 1 0 0
Types
1 2
2 3
Bonds
1 1 1 2
Special Bond Counts
1 1 0 0
2 1 0 0
Special Bonds
1 2
2 1