We introduce a new fingerprint that allows distinguishing between liquid-like and solid-like atomic environments. This fingerprint is based on an approximate expression for the entropy projected on individual atoms. When combined with a local enthalpy, this fingerprint acquires an even finer resolution and it is capable of discriminating between different crystal structures.
@article{arxiv.1707.09892,
title = {Entropy based fingerprint for local crystalline order},
author = {Pablo M. Piaggi and Michele Parrinello},
journal= {arXiv preprint arXiv:1707.09892},
year = {2020}
}