3

ASE should be able to read forces from the additional columns. Here is an example of an .xyz file which contains forces. 2 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3:magmoms:R:1 energy=-6.801137982077364 dipole="-1.3543798178593251e-15 -1.5609399349163789e-15 6.566746345129899e-16" magmom=0.0 ...


Only top voted, non community-wiki answers of a minimum length are eligible