We used the cc-pVDZ basis set for all C and H atoms, and cc-pVTZ 33 for all Al, Fe and O atoms. Since we use both 3d and 4d orbitals for Fe atoms, we need at-least triple ζ basis set for all Fe atoms. Additionally, we used cc-pVTZ for Al and O atoms since previous studies show contribution from O atoms even when orbitals on O are not taken into active space. The H and C atoms are modeled with relatively smaller basis set (cc-pVDZ) since they do not have contributions to the active space and it helps with reducing cost. LASSCF and LASSI are implemented in mrh. CASSCF and CASCI calculations were performed using PySCF. 35