cnt-hexagonal-class2a.data2

LAMMPS data file via write_data, version 24 Oct 2015-ICMS, timestep = 16

604 atoms
1 atom types
906 bonds
1 bond types
1812 angles
1 angle types
3624 dihedrals
1 dihedral types
604 impropers
1 improper types

-3.2533135409999998e+00 9.7599864590000003e+00 xlo xhi
1.9848000000000000e-05 1.1269868235000001e+01 ylo yhi
2.1981185000000000e-02 5.2620381184999999e+01 zlo zhi
-6.5066499999999996e+00 0.0000000000000000e+00 0.0000000000000000e+00 xy xz yz

Masses

1 12.0112

Pair Coeffs # lj/class2/coul/cut

1 0.068 3.915

Bond Coeffs # class2

1 1.417 470.836 -627.618 1327.63

Angle Coeffs # class2

1 118.9 61.0226 -34.9931 0

BondBond Coeffs

1 68.2856 1.417 1.417

BondAngle Coeffs

1 28.8708 28.8708 1.417 1.417

Dihedral Coeffs # class2

1 8.3667 0 1.2 0 0 0

AngleAngleTorsion Coeffs

1 0 118.9 118.9

EndBondTorsion Coeffs

1 -0.1185 6.3204 0 -0.1185 6.3204 0 1.417 1.417

MiddleBondTorsion Coeffs

1 27.5989 -2.312 0 1.417

BondBond13 Coeffs

1 0 1.417 1.417

AngleTorsion Coeffs

1 1.9767 1.0239 0 1.9767 1.0239 0 118.9 118.9

Improper Coeffs # class2

1 7.1794 0

AngleAngle Coeffs

1 0 0 0 118.9 118.9 118.9

Atoms # full

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