energy_*.out

The energy_train.out and energy_test.out files contain the predicted and target energies for the training and test sets, respectively. Each file contains 2 columns. The first column gives the energy in units of eV/atom calculated using the NEP model. The second column gives the corresponding target energies. Each row corresponds to the configuration at the same position in the train.xyz (if using the full-batch) and test.xyz files, respectively.