This directory contains a training set for diamond silicon. It is only for the
purpose to demonstrate how to use KLIFF, not suitable for training any real
potentail.

- varying_alat
    It contains compressed and stretched diamond silicon with strains from -5%
    to 5%. Random perturbations are applied to the coordinates of atoms at each
    strain level.

- NVT_runs:
    Configurations collected from molecular dynamics simulations with the NVT
    ensemble at temperatures 300, 600, and 900K. One out of a hundred steps are
    recorded and put in the training set for each temperature.
