polarizability_*.out

The polarizability_train.out and polarizability_test.out files contain the predicted and target polarizability 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 12 columns. The first 6 columns give the \(xx\), \(yy\), \(zz\), \(xy\), \(yz\), and \(zx\) polarizability components calculated using the NEP model. The last 6 columns give the corresponding target values.

The polarizability values are normalized by the number of atoms.