forked from lijiext/lammps
45 lines
408 B
Plaintext
45 lines
408 B
Plaintext
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# CO2 molecule file. TraPPE model.
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3 atoms
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2 bonds
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1 angles
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Coords
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1 0.0 0.0 0.0
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2 -1.16 0.0 0.0
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3 1.16 0.0 0.0
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Types
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1 1
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2 2
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3 2
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Charges
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1 0.7
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2 -0.35
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3 -0.35
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Bonds
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1 1 1 2
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2 1 1 3
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Angles
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1 1 2 1 3
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Special Bond Counts
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1 2 0 0
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2 1 1 0
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3 1 1 0
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Special Bonds
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1 2 3
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2 1 3
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3 1 2
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