The dipole_train.out and dipole_test.out files contain the predicted and target dipole values.

There are \(N_\mathrm{c}\) rows, where \(N_\mathrm{c}\) is the number of configurations in the train.xyz and test.xyz input files.

There are 6 columns. The first 3 columns give the \(x\), \(y\), and \(z\) dipole components calculated using the NEP model. The last 3 columns give the corresponding target values.

The dipole values are normalized by the number of atoms.