The elastic constants were calculated based on a "force field" approach. Firstly, using lammps-interface code, 2 simulation inputs were generated for the selected structures based on the force field UFF4MOF 3 to describe the interactions between atoms. However, the code failed to handle three structure, and other few structures failed at the simulation stage. Simulations were conducted using LAMMPS codes. An example script provided by LAMMPS for elastic tensors calculations was modified for this purpose. A slightly modified approach was also used by Anderson and Gómez-Gualdrón 5 to evaluate the mechanical properties of 133 Cu-MOFs. But, since the present dataset are diverse than that in ref, additional modifications were necessary. The implemented scheme is explained by the sketch shown in Figure .