60 lines
1.1 KiB
Plaintext
60 lines
1.1 KiB
Plaintext
LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 15
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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/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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Bond Coeffs # class2
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1 0.97 563.28 -1428.22 1902.12
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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 1 1 -8.3399999999999996e-01 4.9317110579061119e+00 4.9317110579061119e+00 5.0000000000000000e+00 0 0 0
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2 1 2 4.1699999999999998e-01 3.9722822924820522e+00 5.0960066496118355e+00 5.0000000000000000e+00 0 0 0
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3 1 2 4.1699999999999998e-01 5.0960066496118355e+00 3.9722822924820522e+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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