I want to get the elastic deformation gradient for fcc crystal with different orientations along z direction via OVITO.
I use elastic strain calculation modifier and select input crystal as face-centered cubic. Two different crystal orientations of (001) and (110) in z-axis are used for the calculation before applying external load.
When I check the elastic deformation gradient, it returns the value:[1 0 0, 0 0.7 0.7, 0 -0.7 0.7] for (110) orientation, [1 0 0, 0 1 0, 0 0 1] for (001) orientation.
It seems that when mapping the current configuration with the fcc structure catalog(stress-free configration), crystal with different orientation is considered to have rotation from (100) direction and it is counted into the elastic deformation gradient.
I want to get rid of the orientation effect on the calculation of elastic deformation gradient. Is there any ways that I can edit the fcc structure catalog? Any suggestion is appreciated.