SrTiO 3 (110)-4×1 structures were obtained from a subset of structures originally published in Ref. 42, which were then re-evaluated via VASP version 6.2.0 43 singlepoint evaluations with the r 2 SCAN functional. The energy cutoff was set to 440 eV and the width of Gaussian smearing to 0.02 eV. The final data set contained 889 unique structures, which were split randomly into training, validation, and test sets with 554, 237, and 98 data points, respectively. MACE models for SrTiO 3 were trained with a cutoff of 4 Å for a maximum of 1200 epochs with an early stopping patience of 50, where the force and energy weights corresponded to 100.0 and 1.0, respectively. Subsequently, 300 epochs without early stopping were conducted at force and energy weights of 100.0 and 1000.0, respectively.