Hello Everyone.

I am trying to apply stresses in the ReaxFF module of SCM and compute the stress strain curve for the same. The molecular structure has a tusk like shape with a sheet like structure connected at the base. Every time I set up the model using the desired lattice vector strains, the model ends up rotating around an axis rather than straining and failing in the specified direction. Volumetric strain is also yielding the same results. Has anyone got any suggestions or previous experience regarding the same? Can you please share the method you used with me?

Thanks in advance,

Manali