Update the ReadMe.MD

[jonathan-schoeps]

Update

There is insufficient documentation on how to use the "fixed element composition".

[marcelmbn]

This is probably also relevant for the ternary oxides, so it might make sense that you enhance the README.md for this (currently not well documented) case, @jonathan-schoeps.

To-Do's:

How shall the user know how constitutional isomers are set up?

• Can also be realized by an improved mindlessgen.toml

[marcelmbn]

In addition to this, the following part of mindlessgen.toml is a bit inconsistent (just noticed after merging #51).

# > Scaling factor for the employed van der Waals radii. Options: <float>
scale_vdw_radii = 1.2
# > Scaling factor for the minimal bondlength based on the sum of the van der Waals radii. Options: <float>
scale_minimal_bondlength = 0.75

Which radii (for which purpose) are scaled in the end? This should be more clear and consistent, @jonathan-schoeps.