It’s a spinel system A(B1,B2)O3. Such a problem didn’t happen to other systems before and I’ve done quite a few calculations.
The first step creating displacements worked with
fitsvsl -er 10 -ns 2 -ms 0.02
But when I do
fitsvsl -f
After reading displacements outputs like "73) Reading 7/vol_2/p+0.2_10_7", many lines of "Did not find spring in make_nn_forcek. Ignoring" showed up.