The formulae above resemble those used in soft matter physics to calculate the potential of mean force by averaging the structural data for a single system over time at a given temperature. However, in our data-driven approach, we combine the information from completely different static systems without any reference to their temperature, therefore the statistical proxy potentials given by Eq. ( ) do not have a natural energy scale and are dimensionless. We propose to use their sum for a given structure given by Eq. ( ) as a cost function instead of energy to guide geometry optimisation of crystal structures.