69 lines
745 B
Plaintext
69 lines
745 B
Plaintext
LAMMPS molecule file. Cyclohexane(UA)
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6 atoms
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6 bonds
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6 angles
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6 dihedrals
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Coords
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1 0.000000 0.000000 0.000000
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2 0.000000 0.000000 1.536000
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3 1.431000 0.000000 2.094000
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4 2.247000 1.176000 1.536000
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5 2.247000 1.176000 0.000000
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6 0.815000 1.176000 -0.557000
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Types
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1 1
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2 1
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3 1
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4 1
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5 1
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6 1
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Bonds
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1 1 1 6
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2 1 1 2
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3 1 2 3
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4 1 3 4
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5 1 4 5
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6 1 5 6
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Angles
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1 1 2 1 6
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2 1 1 2 3
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3 1 2 3 4
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4 1 3 4 5
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5 1 4 5 6
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6 1 1 6 5
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Dihedrals
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1 1 2 1 6 5
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2 1 6 1 2 3
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3 1 1 2 3 4
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4 1 2 3 4 5
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5 1 3 4 5 6
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6 1 4 5 6 1
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Special Bond Counts
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1 2 2 1
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2 2 2 1
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3 2 2 1
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4 2 2 1
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5 2 2 1
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6 2 2 1
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Special Bonds
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1 2 6 3 5 4
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2 3 1 4 6 5
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3 4 2 5 1 6
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4 5 3 6 2 1
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5 6 4 1 3 2
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6 1 5 2 4 3
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