1. Z ≤ 86. GFN The MOF structure may be fundamentally not stable upon solvent removal -in this case, structural collapse in the calculation mirrors the structural collapse in experiment; In addition, structural collapse may be observed as an artefact of the structure curation process. In typical MOF syntheses, metal salt and ligand solutions are mixed together in polar, high boiling point solvents. Experimentally reported metal organic frameworks may contain solvent molecules in their pores, missing charge balancing ions (CBIs) or missing hydrogen atoms and overlapping atoms. before being imported into the CoRE database, curation is performed, however the solvent is removed with an imperfect method. As a consequence, some of the solvent still remains in the pore and/or an essential part of the MOF structure itself is accidently removed. This has been observed by other authors employing the CoRE database. These structures are excluded from the analysis. (478 structures) 5. Structures that partially converged. Some structures converged (change in energy < 1e-02 Hartree), but still had residual gradients larger than the default criterion of 1e-05 Hartree. These structures were manually examined to confirm convergence and extract the structure where the energy had converged. (173 structures)