47 lines
448 B
Plaintext
47 lines
448 B
Plaintext
LAMMPS data file for water
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3 atoms
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2 bonds
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1 angles
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2 atom types
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1 bond types
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1 angle types
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0.0 9.865 xlo xhi
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0.0 9.865 ylo yhi
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0.0 9.865 zlo zhi
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Masses
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1 15.9994
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2 1.008
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Pair Coeffs
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1 0.102 3.188
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2 0.000 0.000
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Bond Coeffs
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1 450 0.9572
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Angle Coeffs
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1 55.0 104.52
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Atoms
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1 0 1 -0.8340 4.890520 4.325756 3.842052
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2 0 2 0.41700 3.893761 4.308535 3.950637
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3 0 2 0.41700 4.946166 4.514250 2.851741
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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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