forked from lijiext/lammps
98 lines
2.3 KiB
Plaintext
98 lines
2.3 KiB
Plaintext
LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16
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8 atoms
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2 atom types
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7 bonds
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2 bond types
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12 angles
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2 angle types
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9 dihedrals
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1 dihedral types
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2.1454500000000001e-01 1.0214544999999999e+01 xlo xhi
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1.1418000000000000e-01 1.0114179999999999e+01 ylo yhi
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-1.0000145000000000e+01 -1.4500000000000000e-04 zlo zhi
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Masses
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1 12.0112
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2 1.00797
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Pair Coeffs # lj/cut/coul/cut
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1 0.16 3.47451
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2 0.038 2.44997
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Bond Coeffs # harmonic
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1 322.716 1.526
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2 340.618 1.105
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Angle Coeffs # harmonic
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1 44.4 110
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2 39.5 106.4
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Dihedral Coeffs # harmonic
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1 0.1581 1 3
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Atoms # full
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1 1 1 -8.0000000000000002e-02 4.4524466695000546e+00 5.1487002164026885e+00 -5.0006302347485345e+00 0 0 0
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2 1 1 -8.0000000000000002e-02 5.9766896892153030e+00 5.0796889426210985e+00 -4.9996544827175731e+00 0 0 0
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3 1 2 2.7000000000000000e-02 4.0938947910110901e+00 6.0620658648029728e+00 -5.5084975543469561e+00 0 0 0
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4 1 2 2.7000000000000000e-02 4.0131227861508476e+00 4.2799775608175219e+00 -5.5231947126945471e+00 0 0 0
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5 1 2 2.7000000000000000e-02 4.0519859498275457e+00 5.1583490086462893e+00 -3.9709421079082223e+00 0 0 0
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6 1 2 2.7000000000000000e-02 6.4161294697399160e+00 5.9524744856787599e+00 -4.4838711524807371e+00 0 0 0
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7 1 2 2.7000000000000000e-02 6.3353624851758052e+00 4.1701774309268549e+00 -4.4849204427200817e+00 0 0 0
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8 1 2 2.7000000000000000e-02 6.3767281593794412e+00 5.0620064901038129e+00 -6.0294493123833437e+00 0 0 0
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Velocities
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1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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3 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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6 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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7 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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8 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
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Bonds
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1 1 1 2
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2 2 1 3
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3 2 1 4
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4 2 1 5
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5 2 2 6
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6 2 2 7
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7 2 2 8
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Angles
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1 1 2 1 3
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2 1 2 1 4
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3 1 2 1 5
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4 2 3 1 4
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5 2 3 1 5
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6 2 4 1 5
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7 1 1 2 6
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8 1 1 2 7
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9 1 1 2 8
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10 2 6 2 7
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11 2 6 2 8
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12 2 7 2 8
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Dihedrals
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1 1 3 1 2 6
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2 1 3 1 2 7
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3 1 3 1 2 8
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4 1 4 1 2 6
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5 1 4 1 2 7
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6 1 4 1 2 8
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7 1 5 1 2 6
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8 1 5 1 2 7
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9 1 5 1 2 8
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