I’d like to make ASE atoms object from provided LMDB database file.
I think at previous post someone mentioned that there are extxyz format, but I can’t find it.
Could you tell me the link where I can download extxyz format file? Else, should I manually build ASE object from provided data?
I think the latter idea is a bit dangerous, since I might make mistake and misinterpret your data.
Thank you in advance for help!