I am currently working on the AlPO4 system and attempting to reproduce data from the paper https://doi.org/10.1080/08927029608024086. However, I have encountered an issue regarding the availability of specific Buckingham potentials. While I can find potentials for Al-O, P-O, and O-O interactions, I am unable to locate the corresponding potentials for Al-Al, P-P, and Al-P pairs.
I have also tried running the calculations by setting the Al-Al, P-P, and Al-P potentials to 0, but this results in an error stating that the value cannot be set to 0. Could I be missing something important, or is there a recommended approach to handle this situation?
Any insights or suggestions would be greatly appreciated.
Thank you in advance for your help!