Identify the space group of a crystal, given the positions of the atoms in a unit cell
Findsym is part of the ISOTROPY suite. Please cite ISOTROPY Software Suite, iso.byu.edu and also H. T. Stokes and D. M. Hatch, "FINDSYM: Program for Identifying the Space Group Symmetry of a Crystal." J. Appl. Cryst. 38, 237-238 (2005).
Please refer to the FINDSYM help pages for a description of the input format.
Note: For some reason, lattice, atomic, and magnetic accuracy has to be provided separately in the input file. See the provided sample input.
docker run -i --rm kramergroup/findsym < fcc.str