#model basic parameters setting
units         real
boundary      p p p
atom_style    charge

#model construction or read in
read_data     CuC_dimer.dat
mass          1 63.55
mass          2 12.0
timestep      1.0

#potential parameters setting
pair_style      hybrid eam/alloy reax/c NULL safezone 1.8 mincap 300 lj/cut 7.70625
pair_coeff      * * eam/alloy Cu_mishin1.eam1.alloy Cu NULL

pair_coeff      * * reax/c ffield.reax.CHNi NULL C
fix             1 all qeq/reax 1 0.0 10.0 1e-6 reax/c

pair_coeff      1 2 lj/cut 0.59416 3.08250

velocity        all set 0 0 0

compute         1 all pe/atom
dump            1 all custom 1 test_*.dat id type x y z c_1 fx fy fz
dump_modify     1 sort id

fix             f1 all nvt temp 10.0 10.0 100

#neighbour parameters setting
neighbor 1.0 bin
neigh_modify every 1 delay 5 check yes 

#physical quantities output
thermo 1
run 1