52 lines
841 B
Plaintext
52 lines
841 B
Plaintext
LAMMPS data file via write_data, version 29 Sep 2021, timestep = 100000
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6 atoms
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2 atom types
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4 bonds
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1 bond types
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2 angles
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1 angle types
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0 31.35187685 xlo xhi
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0 31.35187685 ylo yhi
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0 31.35187685 zlo zhi
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Masses
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1 16
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2 1.008
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Pair Coeffs # lj/cut/coul/long
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1 0.155425 3.16549
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2 0 0
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Bond Coeffs # harmonic
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1 529.581 1.012
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Angle Coeffs # harmonic
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1 37.95 113.24
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Atoms
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1 1 1 -0.82 1.5026689324077283 5.863928543354579 3.792611836941212
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2 1 2 0.41 0.949608563235617 6.67792878850468 4.024506527262098
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3 1 2 0.41 2.542061320328983 6.034841727577386 3.822920239902413
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4 2 1 -0.82 7.984023446667837 11.359952374736203 6.435736949920884
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5 2 2 0.41 8.817227182546942 11.213723954966298 5.880386471510548
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6 2 2 0.41 7.933347339276622 12.376737335657605 6.56734173868257
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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 1 4 5
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4 1 4 6
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Angles
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1 1 2 1 3
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2 1 5 4 6
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