force_*.out
The force_train.out
and force_test.out
files contain the predicted and target force components of the configurations provided in the train.xyz and test.xyz input files.
There are 6 columns. The first three columns are the \(x\), \(y\), and \(z\) force components in units of eV/Å computed using the NEP model. The last three columns are the corresponding target forces. Each row corresponds to one atom.