echo both 
units metal
dimension 3
boundary p p p
atom_style full


region region1 block -200.0 212.56 -200.0 221.75 -100.0 207.70
create_box 4 region1 


mass 1   10.81000000
mass 2   14.00700000
mass 3   10.81000000
mass 4   14.00700000

read_data input.lmp add append

velocity all create 300.0 4928459 rot yes dist gaussian


timestep 0.0001
thermo 1


pair_style  hybrid/overlay tersoff ilp/graphene/hbn 16.0 coul/shield 16.0 1.0
pair_coeff  * * tersoff           BNC.tersoff B    N    B  N
pair_coeff  * * ilp/graphene/hbn  BNCH.ILP    B    N    B  N 
pair_coeff * * coul/shield 2 0.70

fix nve all nve


dump xyz all custom 10 eq.lammpstrj id type x y z vx vy vz


thermo_style custom step temp pe etotal press vol

run 100000



print "finished ...!"