LAMMPS data file via write_data, version 29 Aug 2024, timestep = 64, units = real

8 atoms
2 atom types
7 bonds
2 bond types
12 angles
2 angle types
9 dihedrals
1 dihedral types

-5 5 xlo xhi
-5 5 ylo yhi
-5 5 zlo zhi

Masses

1 12.01115
2 1.00797

Pair Coeffs # lj/cut/coul/cut

1 0.066 3.5
2 0.0300003 2.5

Bond Coeffs # harmonic

1 268 1.529
2 340 1.09

Angle Coeffs # harmonic

1 37.5 110.7
2 33 107.8

Dihedral Coeffs # opls

1 0 0 0.318 0

Atoms # full

1 1 1 -0.18 4.450690671089314 -4.83133647736812 4.992428212375868 0 1 -1
2 1 1 -0.18 -4.022291647324266 -4.942324611094984 -4.995836359730008 1 1 0
3 1 2 0.06 4.1294147504666165 -3.9160894986014068 4.495489435092607 0 1 -1
4 1 2 0.06 3.9961668185396193 4.3269540139496785 4.470098784261843 0 0 -1
5 1 2 0.06 4.059021520856406 -4.816007407764785 -3.990885907539094 0 1 0
6 1 2 0.06 -3.5752328984263166 -4.071671221696795 -4.5159098704661425 1 1 0
7 1 2 0.06 -3.6980390300174055 4.172581688097945 -4.448408184535642 1 0 0
8 1 2 0.06 -3.6233701851839633 4.991333514478468 3.9918638905405723 1 0 -1

Velocities

1 0 0 0
2 0 0 0
3 0 0 0
4 0 0 0
5 0 0 0
6 0 0 0
7 0 0 0
8 0 0 0

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