shell rm nonaff.dat
pair_style	lj/cut 	2.5
read_data equilibrated
set group all image 0 0 0
change_box triclinic
minimize 1e-6 1e-6 100000 100000
write_restart sheared
variable i loop 100
label       loop
       clear
       read_restart sheared
       fix def all deform 1 xy delta 0.001 units box
       run 1
       unfix def
       compute nonaffvalq all msd
       minimize 1e-6 1e-6 100000 100000
       thermo_style custom step pe xy xz yz lx c_nonaffvalq[4]
       run 0
       thermo_style custom step pe xy xz yz lx
       variable nonaffval equal sqrt(c_nonaffvalq[4])
       shell echo ${nonaffval} >> nonaff.dat
       uncompute nonaffvalq
       write_restart sheared
       next i
jump        shear.in loop