-orient <(hkl)X> <(hkl)Y> <(hkl)Z> <(hkl)'X> <(hkl)'Y> <(hkl)'Z>
This option rotates the system from a given crystallographic orientation into another one.
The vectors for each crystallographic orientation must be given as Miller indices (see how to specify Miller indices).
Note that the final crystallographic directions must form the same angles as the original ones.
This option affects some properties of the system (e.g. the elastic tensor) if they were read with the option -properties before the present option.
Note that this option simply rotates the whole system, it does not modify it nor find a new unit cell. Creating a unit cell with a given crystal orientation can be done thanks to the mode --create.
By default the orientation of the system is not changed.
atomsk initial.cfg -orient [110] [1-10] [001] [100] [010] [001] final.xsf
The initial system (initial.cfg) has the crystallographic orientation X=[110], Y=[110], Z=[001]. It will be rotated so that the [100] direction lies along X, the [010] along Y, and the [001] along Z. The final result will be output to final.xsf.
atomsk initial.cfg -orient [001] [1_-1_0] 110 2_1_1 [0_-1_1] [1_-1_-1] final.xsf
The system initial.cfg, with the original orientation X=[001], Y=[110], Z=[110], will be rotated so that the [211] direction lies along X, the [011] along Y, and the [111] along Z. Note that both vector notations (with or without underscore or brackets) can be used in the same command line.