Favour simpler unit cells #3
Description
The output of this configuration should be the simplest unit cell possible. It is
probably not possible to provably do this, however a best effort attempt to simplify the
generated configurations is a good idea.
One part of the simplification would be to limit the degrees of freedom available to the
cell. This approach is similar to how the wyckoff sites with symmetry elements help,
they reduce the degrees of freedom and will result in a simpler configuration.
There is also the approach of giving a small weight to a simpler configuration,
particularly at the start of the simulation which would help bias a simpler unit cell,
although there is the issue that this may bias the configuration away from the best
score.