I have a box which contains a few thousand atoms, and I would like to be able to calculate a single number which gives some indication of how ordered their arrangement is in 3D.
For example, if they were totally crystalline, then the order would be 1. If the atoms were randomly arranged, the order parameter would be 0.
At this stage, I don't need to be able to differentiate between different types of order (eg bcc vs fcc), just the overall amount of order.
The system is an infinite network with identical atoms. The infinite network is built with periodic boundary conditions applied to the box.
What do I need to be reading? I'm currently reading on spatial autocorrelation and Moran’s I.