Coverting Cartesian to fractional coordinates

[NathandB94]

Coverting XYZ to ABC, this is found in the structure file, which is always in the simulation folder. When saving the images, it also might be a good idea to include this in the in the images

Here is an example of what it looks like. I have also attached an example structure file.

10.6777 4.7997 13.6392 P 90.000 91.630 90.000

Non primitive data 10.6777 4.7997 13.6392 90.000 91.630 90.000

Lacosamide_reduced.txt

[peterspackman]

Do you mean just the axes?

[NathandB94]

Yes. You can find the information in the structure file.