log "C:\one\log\justpull1.txt"
    echo screen
    units real
    dimension 3
    boundary p p p
    atom_style charge

read_data C:\one\datafile\nvt1data.txt # getting higher displacement at first timestep

change_box all boundary m p p

pair_style reax/c NULL safezone 2.0 mincap 200
pair_coeff * * ../potentials/ffield.Reax.latest C 

group Lowergraphene id 1:576:1

neighbor 2.0 bin
neigh_modify delay 0 every 1 check yes

timestep        0.25

compute reax all pair reax/c
fix 1 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c

variable    eb     equal c_reax[1]
variable    ea     equal c_reax[2]
variable    elp    equal c_reax[3]
variable    emol   equal c_reax[4]
variable    ev     equal c_reax[5]
variable    epen   equal c_reax[6]
variable    ecoa   equal c_reax[7]
variable    ehb    equal c_reax[8]
variable    et     equal c_reax[9]
variable    eco    equal c_reax[10]
variable    ew     equal c_reax[11]
variable    ep     equal c_reax[12]
variable    efi    equal c_reax[13]
variable    eqeq   equal c_reax[14]

fix 2 Lowergraphene move linear 0.5 NULL NULL units box

thermo 1

thermo_style custom step temp press pxx pyy pzz density enthalpy etotal pe ke epair evdwl ecoul v_eb v_ea v_elp v_emol v_ev v_epen v_ecoa v_ehb v_et v_eco v_ew v_ep v_efi v_eqeq lx ly lz

dump            dumpdisp_1 all custom 1 C:\one\strjdisp\disp_1.lammpstrj id type x y z ix iy iz

run 40

write_data C:\one\datafile\disp_1data.txt

unfix 2
undump dumpdisp_1

print "code just pull is run successfully "