60 lines
1.4 KiB
Plaintext
60 lines
1.4 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 1.0500000000000000e+01 zlo zhi
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Masses
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1 1.00797
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2 15.9994
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3 1.00797
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Pair Coeffs # lj/cut/coul/cut
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1 0.038 2.44997
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2 0.152073 3.15066
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3 0 0
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Bond Coeffs # harmonic
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1 398.75 0.7461
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2 540.634 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 0.0000000000000000e+00 4.6360793448580777e+00 4.9999989751288503e+00 2.5000000000000000e+00 0 0 0
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2 1 1 0.0000000000000000e+00 5.3639187040369425e+00 4.9999989859260383e+00 2.5000000000000000e+00 0 0 0
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3 2 2 -8.3399999999999996e-01 4.9272370060124890e+00 4.9272370489778368e+00 7.5000000000000000e+00 0 0 0
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4 2 3 4.1699999999999998e-01 3.9745202805917161e+00 5.0982446721165102e+00 7.5000000000000000e+00 0 0 0
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5 2 3 4.1699999999999998e-01 5.0982446645007720e+00 3.9745203178507658e+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 2 3 4
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3 2 3 5
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Angles
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1 1 4 3 5
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