[Feature Request]: .xyz problem using ASE writer from .traj to .xyz (.traj generated by CHGNET)

[caralvijo]

I'm using MD2D to calculate diffusion so, I need an xyz file but when I use the ASE writer as follows there is a value error:

import ase
from ase.io import write
from ase.io.trajectory import Trajectory
traj = Trajectory('file.traj')
write('file.xyz', traj)

ValueError: not enough values to unpack (expected 6, got 3)

Do you have an idea to solve this?

[BowenD-UCB]

If you index the trajectory object, can you get the corresponding ase.Atoms ? If there's no issue with the trajectory object, this might be something related to ASE

[caralvijo]

Yes, I can get the ase.Atoms, so I will check ASE documentation.