forked from lijiext/lammps
68 lines
1.5 KiB
Plaintext
68 lines
1.5 KiB
Plaintext
LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16
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5 atoms
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3 atom types
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3 bonds
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2 bond types
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1 angles
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1 angle types
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-2.0000000000000001e-01 9.8000000000000007e+00 xlo xhi
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-2.0000000000000001e-01 9.8000000000000007e+00 ylo yhi
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-5.0000000000000000e-01 9.5000000000000000e+00 zlo zhi
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Masses
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1 15.9994
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2 1.00797
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3 1.00797
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Pair Coeffs # lj/class2/coul/cut
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1 0.274 3.608
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2 0.013 1.098
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3 0.02 2.995
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Bond Coeffs # class2
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1 0.97 563.28 -1428.22 1902.12
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2 0.7414 414 0 0
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Angle Coeffs # class2
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1 103.7 49.84 -11.6 -8
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BondBond Coeffs
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1 -9.5 0.97 0.97
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BondAngle Coeffs
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1 22.35 22.35 0.97 0.97
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Atoms # full
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1 2 1 -8.3399999999999996e-01 4.9290882176945097e+00 4.9290882639548759e+00 2.5000000000000000e+00 0 0 0
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2 2 2 4.1699999999999998e-01 3.9735950727002165e+00 5.0973194765083036e+00 2.5000000000000000e+00 0 0 0
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3 2 2 4.1699999999999998e-01 5.0973194689799799e+00 3.9735951232668252e+00 2.5000000000000000e+00 0 0 0
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4 1 3 0.0000000000000000e+00 4.6251317425574490e+00 4.9999985647449563e+00 7.5000000000000000e+00 0 0 0
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5 1 3 0.0000000000000000e+00 5.3748654980678428e+00 4.9999985715250368e+00 7.5000000000000000e+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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Bonds
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1 1 1 2
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2 1 1 3
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3 2 4 5
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Angles
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1 1 2 1 3
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