Data for: Free-energy perturbation in the exchange-correlation space accelerated by machine learning: Application to silica polymorphs

Data for the Publication Free-energy perturbation in the exchange-correlation space accelerated by machine learning: Application to silica polymorphs This data set contains: Data for/from the direct upsampling for the rung 1–3 functionals: The effective harmonic potentials The final moment-tensor potentials (for each phase and functional) The training sets for the moment-tensor potentials (VASP OUTCARs) Tables of the thermodynamic properties for each phase and functional Input data for the functional evaluation procedure developed in the associated paper