How to Stop an atom escaping from simulation box?

I designed an Al lattice with a Si lattice in it.

Al ==> eam
Al-Si ==> lj
Si ==> sw

then after hmmm let me check
4000 step time the running stopped and
“Domain too large for neighbor bins”
I read the manual.
It’s right “one of atoms have been blown out of the simulation box to a great distance”.
I checked the .xyz output with VMD. Suddenly one of Si atoms started escaping from simulation box.
I realized the reason of error, but how can I solve it?

I designed an Al lattice with a Si lattice in it.

Al ==> eam
Al-Si ==> lj
Si ==> sw

then after hmmm let me check
4000 step time the running stopped and
“Domain too large for neighbor bins”
I read the manual.
It’s right “one of atoms have been blown out of the simulation box to a
great distance”.
I checked the .xyz output with VMD. Suddenly one of Si atoms started
escaping from simulation box.
I realized the reason of error, but how can I solve it?

a) make sure you have the correct potential parameters (and the correct units!)

b) make sure that you time step is suitable.

c) make sure that your computer is properly aligned with the moon and the stars

axel.