Hello all,

I want to calculate the shear stress under displacement loading, the value I am getting from **“pxy” , “pyz” and “pxz”**. Is this pressure tensor are giving the shear stress value? If not then please guide me how to calculate them.

Thanks in advance.

```
units real
atom_style full
dimension 3
newton on on
boundary p p p
#Styles
# System definition
read_data relax_4420model.data
# Region of model
region up block 17 INF INF INF INF INF units box
region low block INF .97 INF INF INF INF units box
group up region up
group low region low
group boundary union up low
group mobile subtract all boundary
# Fix rigid boundary atoms
# compute new2 mobile temp
fix 2 boundary setforce 0.0 0.0 0.0
# unfix 2
fix 3 all npt temp 310 310 100 iso 0 0 100
# fix_modify 4 temp new2
# Apply displacement control loading
velocity up set 0.0 0.0 0.02 units box
velocity low set 0.0 0.0 -0.02 units box
velocity mobile ramp vz -0.02 0.02 x .97 17 sum yes
timestep 1
thermo_style custom step temp etotal pxx pyy pzz pxy pxz pyz
thermo_modify flush yes
thermo 100
dump 1 all xyz 100 dump.xyz
compute str all stress/atom NULL
dump 2 all custom 10000 dump.*.stress id type x y z c_str[1] c_str[2] c_str[3] c_str[4] c_str[5] c_str[6]
run 150000
write_data shear_model.data
```