NaN in site.GaussianSymmFunc?

Dear Matminers:

I’m trying to use GaussianSymmFunc upon a set of periodic structures. There’s occasionally NaN’s showed up in the output descriptor. I’m writing to ask under what situation will NaN show up and how to avoid it?

Thanks in advance.

Hey there,

Apologies for the late reply. Could you send the structure you are featurizing so that we can help troubleshoot?