# Define unit set and class of atomic model
units metal
atom_style molecular

# BC
boundary p p s

# read config
read_data      data.C


# potential
pair_style hybrid/overlay drip rebo
pair_coeff * * drip  C.drip     C
pair_coeff * * rebo  CH.rebo  C

compute        peratom all pe/atom

# set what thermodynamic information to print to log
thermo         10  # print every 1 timestep

# set what information to write to dump file
dump           id all custom 1 lammps.dump id type x y z fx fy fz c_peratom
dump_modify    id every 10 format line "%d %d %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e %13.5e"
dump_modify    id sort id

# minimize energy
minimize  1.0e-15 1.0e-15 100 100