98 lines
2.2 KiB
Plaintext
98 lines
2.2 KiB
Plaintext
LAMMPS data file via write_data, version 8 Jul 2013-ICMS, timestep = 25
|
|
|
|
8 atoms
|
|
2 atom types
|
|
7 bonds
|
|
2 bond types
|
|
12 angles
|
|
2 angle types
|
|
9 dihedrals
|
|
1 dihedral types
|
|
|
|
2.1454500000000001e-01 1.0214544999999999e+01 xlo xhi
|
|
1.1418000000000000e-01 1.0114179999999999e+01 ylo yhi
|
|
-1.0000145000000000e+01 -1.4500000000000000e-04 zlo zhi
|
|
|
|
Masses
|
|
|
|
1 12.0112
|
|
2 1.00797
|
|
|
|
Pair Coeffs
|
|
|
|
1 0.16 3.47451
|
|
2 0.038 2.44997
|
|
|
|
Bond Coeffs
|
|
|
|
1 322.716 1.526
|
|
2 340.618 1.105
|
|
|
|
Angle Coeffs
|
|
|
|
1 44.4 110
|
|
2 39.5 106.4
|
|
|
|
Dihedral Coeffs
|
|
|
|
1 0.1581 1 3
|
|
|
|
Atoms
|
|
|
|
1 1 1 -8.0000000000000002e-02 4.4522764990937773e+00 5.1487511046615282e+00 -5.0006449916203035e+00 0 0 0
|
|
2 1 1 -8.0000000000000002e-02 5.9768273805528676e+00 5.0795969349105308e+00 -4.9996784038318287e+00 0 0 0
|
|
3 1 2 2.7000000000000000e-02 4.0937152091648477e+00 6.0615200249591963e+00 -5.5098793516651270e+00 0 0 0
|
|
4 1 2 2.7000000000000000e-02 4.0127917543504497e+00 4.2791840939081052e+00 -5.5219544098688100e+00 0 0 0
|
|
5 1 2 2.7000000000000000e-02 4.0519012676248316e+00 5.1599472846238843e+00 -3.9708004333084199e+00 0 0 0
|
|
6 1 2 2.7000000000000000e-02 6.4162840127964751e+00 5.9516990352467829e+00 -4.4826061356609284e+00 0 0 0
|
|
7 1 2 2.7000000000000000e-02 6.3354866010086379e+00 4.1693216707285279e+00 -4.4860915956817538e+00 0 0 0
|
|
8 1 2 2.7000000000000000e-02 6.3770772754081166e+00 5.0634198509614441e+00 -6.0295046783628319e+00 0 0 0
|
|
|
|
Velocities
|
|
|
|
1 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
2 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
3 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
4 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
5 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
6 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
7 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
8 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
|
|
|
|
Bonds
|
|
|
|
1 1 1 2
|
|
2 2 1 3
|
|
3 2 1 4
|
|
4 2 1 5
|
|
5 2 2 6
|
|
6 2 2 7
|
|
7 2 2 8
|
|
|
|
Angles
|
|
|
|
1 1 2 1 3
|
|
2 1 2 1 4
|
|
3 1 2 1 5
|
|
4 2 3 1 4
|
|
5 2 3 1 5
|
|
6 2 4 1 5
|
|
7 1 1 2 6
|
|
8 1 1 2 7
|
|
9 1 1 2 8
|
|
10 2 6 2 7
|
|
11 2 6 2 8
|
|
12 2 7 2 8
|
|
|
|
Dihedrals
|
|
|
|
1 1 3 1 2 6
|
|
2 1 3 1 2 7
|
|
3 1 3 1 2 8
|
|
4 1 4 1 2 6
|
|
5 1 4 1 2 7
|
|
6 1 4 1 2 8
|
|
7 1 5 1 2 6
|
|
8 1 5 1 2 7
|
|
9 1 5 1 2 8
|