I changed it because befiore i had nsq and i was getting the error of “Too many atom sorting bins ” ,and lammps manual was suggesting to change it to bin.i minimize my system first and then i start my simulation，it have the same error of “Too many atom sorting bins ” .

#Lammps Graphene Test

boundary s s s

units metal

atom_style atomic

neighbor 2.0 nsq

neigh_modify delay 1 every 1

lattice diamond 3.56

read_data data.DiaGra

########################### create geometry ############################

region 1 block INF 12 INF INF INF 10 units box

region 2 block 161 INF INF INF INF 10 units box

group right region 1

group left region 2

group boundary union left right

group mobile subtract all boundary

region 3 sphere 85 98 30 20 side in units box

create_atoms 2 region 3 units box

group upper region 3