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Examples of atomic systems constructed with Atomsk.
(a) A polycrystal of fcc aluminium, generated with Atomsk and visualized with Atomeye.
(b) A quadrupole of 1/2 screw dislocations in α-iron. The initial system was constructed with Atomsk, and relaxed with VASP (see Ref.). Then the component αzz of the Nye tensor was computed with Atomsk and visualized with Atomeye.
(c) A  edge dislocation in SrTiO3 perovskite, constructed with Atomsk, relaxed with LAMMPS, and viewed with VESTA.
(d) A carbon nanotube, viewed with Atomeye.
Atomsk is an Open Source command-line program dedicated to the creation, manipulation, and conversion of atomic systems. It supports the file formats used by many programs, including:
Atomsk can be used to transform and shape atomic systems: duplicate, rotate, deform, insert dislocations, merge several systems, create bicrystals and polycrystals, etc. To learn more you are invited to read the documentation, and to follow the tutorials.
If you use Atomsk in your work, the citation of the following article will be greatly appreciated: