I am trying to generate oriented crystal copper with the following details:
Unit cells: 10x10x10
lattice constant: 3.61
orientation: x orient 1 1 1 y orient 1 -1 0 z orient 1 1 -2
For the crystal directions (100,010,001) and for the domain having 10x10x10 unit cells, the number of atoms created are 4*1000 = 4000 which is obvious, but when I rotated the crystal with (110,111,11-2), then the number of atoms created for the same domain are 16000. Anyone can please tell me the reason for creating 16000 atoms for (111,1-10,11-2) crystal directions. I would like to appreciate your help in this regard.
Thanks in advance
With best regards,