forked from lijiext/lammps
52 lines
1.0 KiB
Plaintext
52 lines
1.0 KiB
Plaintext
LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16
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3 atoms
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2 atom types
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2 bonds
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1 bond types
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1 angles
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1 angle types
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-3.3333333300000001e-01 9.6666666669999994e+00 xlo xhi
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-3.3333333300000001e-01 9.6666666669999994e+00 ylo yhi
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0.0000000000000000e+00 1.0000000000000000e+01 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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Pair Coeffs # lj/cut/coul/cut
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1 0.152073 3.15066
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2 0 0
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Bond Coeffs # harmonic
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1 540.634 0.957
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Angle Coeffs # harmonic
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1 50 104.52
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Atoms # full
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1 1 1 -8.3399999999999996e-01 4.9246007359428710e+00 4.9246007359428710e+00 5.0000000000000000e+00 0 0 0
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2 1 2 4.1699999999999998e-01 3.9758374534980736e+00 5.0995618105590559e+00 5.0000000000000000e+00 0 0 0
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3 1 2 4.1699999999999998e-01 5.0995618105590559e+00 3.9758374534980736e+00 5.0000000000000000e+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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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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