I’ve done what you told. This is the pair style I’ve used in rerun. But the total energy is zero and also the force .
Pair_style lj/cut 10.0
Pair_coeff 1 1 0.0 0.0
Pair_coeff 2 2 0.0 0.0
Pair_coeff 1 2 28.11 3.534
What is the reason?
Thank you …

Sorry, there is not enough information here to make any specific statement. If it doesn’t work as expected, you must be making a mistake. I don’t have a crystal ball or can read minds, so I cannot tell you what exactly it is. The documentation in LAMMPS is detailed and specific, so you should be able to figure it out by yourself.