echo	both
units		real	
atom_style	charge
boundary		p	p	p

#2
read_restart	file1.10000.restart


#3
mass	1 12.01	# mass of carbon atom
pair_style	reax/c NULL checkqeq yes	# interatomic potential
pair_coeff	* * ffield.reax-2013.C C	# coefficient for carbon atom
fix	8 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c

#12
neighbor	2 bin
neigh_modify	every 1 delay 0 check yes

#4
reset_timestep	0
compute         msd all msd com yes
variable        twopoint equal c_msd[4]/6/(step*dt+1e-6) 
fix             9 all vector 10 c_msd[4]
variable        fitslope equal slope(f_9)/6/(10*dt)

#5
timestep		0.5	# 0.5 fs 
thermo	250
thermo_style	custom step time temp c_msd[4] v_twopoint v_fitslope

dump	1 all custom 1000 C_reax_3500_nve.* id xs ys zs fx fy fz

#7
restart	10000 file1.*.restart

#8 equilibration run
fix	3 all nve

run	10000 # 5 ps