CACmb/docs/Options/sbox_ori.md

Define Orientation

-sbox_ori sbox [hkl] [hkl] [hkl]

This option is primarily used when reading data from non .mb formats. This code sets the orientation of the elements and atoms that are part of the sub_box sbox to the user provided orientation. This doesn't change anything about the model, but is required in order to accurately use the dislgen or orient options when operating on non .mb files.

Example:

cacmb --create Cu fcc 3.615 2 orient [112] [1-10] [11-1] duplicate 10 10 10 cac.lmp
cacmb --convert cac.lmp cac_out.lmp -sbox_ori 1 [112] [1-10] [11-1] -dislgen [112] [11-1] inf*0.5 inf*0.5 inf*0.5 2.556 90 0.3 

The above command attempts to insert a dislocation using the dislgen option. In order to do the coordinate transformation, the code needs to know what the orientation of the model originally and so the sbox_ori command sets the sbox information. To better understand how the sub_boxes work, please view sub_box in the Getting Started guide.