Our paper is organised as follows. In Section 2 we introduce an efficient and reliable methodology for estimation of potential parameters consistent with HAIEFF models. In Section 3 we present the implementation of the code CrystalEstimator. In Section 4 we present the construction of the DFT reference datasets, as well as the settings and test problems used in our investigation. In Section 5, we investigate the performance of the proposed algorithm, focusing on its speed and robustness. Finally, concluding remarks are made in Section 6.