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## Examples

#### Convert a file to another file

- `atomsk initial.cfg final.xsf`

  This will convert the file `initial.cfg` (CFG format) into `final.xsf` (XSF format).

#### Convert a file to another format

- `atomsk file.cfg xsf`

  This will convert `file.cfg` (CFG format) into `file.xsf` (XSF format).

#### Convert a file to several other formats

- `atomsk file.cfg xsf lmp`

  This will convert `file.cfg` (CFG format) into `file.xsf` (XSF format) and `file.lmp` (LAMMPS data).

#### Create a unit cell of fcc aluminum with a given crystal orientation

- `atomsk --create fcc 4.02 Al orient [0-11] [100] [011] cfg`

  This uses the mode `--create` to create a unit cell of fcc aluminum with the crystallographic orientation X=[011], Y=[100], Z=[011].

#### Using options

Please read the section about options. Several options can be used in a single command-line like in the example below.

- `atomsk unitcell.xyz -duplicate 20 10 1 -deform x 2 0.33 final.xsf lmp`

  This will read `unitcell.xyz` (XYZ format), duplicate it to form a 20x10x1 supercell, then deform it by 2% along the X direction (using a Poisson ratio of 0.33), and then write the final system to `final.xsf` (XSF format) and `final.lmp` (LAMMPS data).

#### More examples

The folder "examples" provided with the program contains some commented bash scripts that make use of Atomsk. The comments are intended to be ignored by the computer, not by you -read them to better understand the scripts. You may also modify those scripts to test the program.

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