FILES DESCRIPTION:
This folder contains optimised geometries of complex 1 in a popular *.xyz format.

SOFTWARE:
Any computational software can be used, such as Avogadro, Gabedit.

FILENAME FORMAT:
S0.xyz - ground state geometry (S0)
T1.xyz - triplet excited state geometry (T1)

DATA FORMAT:
The file format follows the standard of xyz geometry files. The first row containt number of atoms in a geometry. The rows that follow contain entries composed of four (4) columns in the form:
<atom_symbol> <X-coordinate> <Y-coordinate> <Z-coordinate>

