Youngs-Modulus

Hello,
I want to obtain yang module
I use this scrip but the result is not good.
what is wrong?
please guide me.

units real

atom_style full

bond_style harmonic

angle_style harmonic

dihedral_style multi/harmonic

improper_style harmonic

pair_style lj/cut/coul/cut 10 15

pair_modify shift yes

read_restart 1.final1

timestep 2

fix 1 all npt temp 298 298 100 iso 0 0 100 drag 1

run 50000

variable tmp equal “lx”

variable LO equal ${tmp}
unfix 1

fix 1 all npt temp 298 298 100 y 0 0 100 z 0 0 100

variable srate equal 1e8

variable srate1 equal “v_srate / 1.0e15”

fix 2 all deform 1 x erate ${srate1} units box remap x

variable strain equal “(lx-v_LO)/v_LO”

variable p1 equal “-pxx/9.8692316931”

thermo_style custom step temp v_strain v_p1 press

run 50000

unfix 2

run 50000
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