It is important to note that considering the lower bounds of the mechanical properties is not the only approach to identify survivors for the re-activation. Indeed, there are many other factors involved in the activation process, and the procedure used in this research is not unique but it is one way to identify collapsed MOFs that could be rescued. strain except QIYDIN01. Since, for QIYDIN01, the estimated shear and young moduli were sensitive to the applied strain that was used for evaluating the elastic constants. This might be attributed to the large unit cell and number of atoms present in this interpenetrated structure. Given that for accurate calculations of the mechanical properties, the framework has to be fully geometry optimized. As such, the energy minimization was improved for this MOF by increasing the maximum number of iterations (which entailed considerable computation time). With the new improved geometry optimization (Figure ), there were less variation of the mechanical properties with the applied strain.