Stress units for force field training

[GurjotDhaliwal]

Hi,

I am using ALIGNN for a DFT dataset and need to include stress term in the training. I am using ase to read VASP OUTCAR and converting the stress into GPa using the formula below.
int_stress = traj[0].get_stress(voigt=False)*(-160.21766208)

I am hoping this should convert the DFT stress values to be aligned with as expected by ALIGN model. Can you please confirm if that's the case or I should use different formula to pull the stress values from the VASP.

As a reference I am also attaching code snippet from AlignAtomwiseCalculator.

stress = ( -1 * 160.21766208 * ( torch.matmul(r.T, pair_forces) # / (2 * g.edata["V"]) / (2 * g.ndata["V"][0]) ) )