Error: Unable to reliably match structures with {autosort_tol = }, {unmapped_start_ind = }"

I used `python neb_make.py -m linear -i IS/init.log FS/end.log -n 6 -sort_tol 0.5` to get an initial traj, but an error reported ``` Unable to reliably match structures with {autosort_tol = }, {unmapped_start_ind = } ``` Here are the relaxed initial and final STRUs: [stru.zip](https://github.com/user-attachments/files/19707892/stru.zip)