units real
timestep 1
neighbor 2.0 bin
neigh_modify every 5 delay 0 check yes
boundary p p p
atom_style full
pair_style lj/cut/coul/long  10.0
pair_modify mix arithmetic
special_bonds lj 0.0 0.0 0.5 coul 0.0 0.0 0.8333
kspace_style pppm 1.0e-4
bond_style harmonic
angle_style harmonic
dihedral_style fourier
improper_style cvff
read_data reax.data
# -------------------- Run --------------------
timestep 1


compute intra all group/group all pair yes kspace yes molecule intra


variable enb equal evdwl+ecoul+elong
variable ced equal (v_enb-c_intra)/$(vol)*6.95E-21*1e30


thermo_style custom evdwl ecoul elong v_ced  c_intra  vol

run 0

print "Cohesion energy: ${ced}"