58 lines
1.0 KiB
Plaintext
58 lines
1.0 KiB
Plaintext
LAMMPS data file from msi2lmp v3.8 for water-class2b
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3 atoms
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2 bonds
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1 angles
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0 dihedrals
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0 impropers
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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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-0.333333333 9.666666667 xlo xhi
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-0.333333333 9.666666667 ylo yhi
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0.000000000 10.000000000 zlo zhi
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Masses
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1 15.999400
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2 1.007970
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Pair Coeffs
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1 0.2740000000 3.6080000000
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2 0.0130000000 1.0980000000
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Bond Coeffs
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1 0.9700 563.2800 -1428.2200 1902.1200
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Angle Coeffs
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1 103.7000 49.8400 -11.6000 -8.0000
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BondBond Coeffs
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1 -9.5000 0.9700 0.9700
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BondAngle Coeffs
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1 22.3500 22.3500 0.9700 0.9700
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Atoms
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1 1 1 -0.834000 5.000000000 5.000000000 5.000000000
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2 1 2 0.417000 4.000000000 5.000000000 5.000000000
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3 1 2 0.417000 5.000000000 4.000000000 5.000000000
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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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