First of all, please read this post first and correctly quote your input file, add LAMMPS version, etc.
The error you get is simply due to a bad initial structure. The minimisation cannot fix the fact that you are squeezing too many atoms in your box size. I suggest using a lattice value that matches the sigma of your atoms, i.e. lattice sc 3.1586
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That’s your input system | That’s what you want |
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