40 lines
484 B
Plaintext
40 lines
484 B
Plaintext
# Hydronium ion. SPC/E model.
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4 atoms
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3 bonds
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3 angles
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Coords
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1 0.00000 1.00000 0.00000
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2 0.00000 0.00000 0.00000
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3 0.00000 -0.50000 -0.8660
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4 0.00000 -0.50000 0.8660
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Types
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1 2
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2 1
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3 2
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4 2
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Charges
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1 0.56775
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2 -0.70305
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3 0.56775
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4 0.56775
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Bonds
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1 1 2 1
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2 1 2 3
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3 1 2 4
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Angles
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1 1 1 2 3
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1 1 3 2 4
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1 1 1 2 4
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