Viscosity in water from first-principles and deep-neural-network simulations

• stress_454K.str and stress_600K.str contain respectively the time series of the stress taken from Car-Parrinello simulations of PBE water at 454K and 600K.

• dataset_PBE folder contains the .raw and nnp_model.json files for the training of the PBE neural network model. Data are in metal units.

• viscositySCAN.txt and viscosityPBE.txt contain the data for Fig. 8 and 9. There are four columns: Temperature, viscosity,its statistical uncertainty and the density.