Mechanical properties calculations for materials using elasticity.py

[mm21d013]

I am calculating the material mechanical properties based on a trained M3GNet potential which has relevant information within it. However, upon calculating with elasticity.py I get singularity error if I use two atom types structures and I get a very weird out of range of mechanical properties value if I do calculation with single type of atoms:

Following is how I initialize my elasticitycalc with matgl ase calculator:

Initialize ElasticityCalc with your MatGL ASE calculator

matgl_calculator = M3GNetCalculator(potential=pot)
elasticity_calculator = ElasticityCalc(
calculator=matgl_calculator,
norm_strains=(-0.02, -0.01, 0.01, 0.02),
fmax=0.05,
relax_structure=True,
use_equilibrium=True,
)

I have tried several ways to tweak the norm_strains and fmax....but the problem persists. Can some one help