Fig. 4.

(Lower Left) Distribution of the number of H-bonds of the central water molecule in the clusters extracted from the different MD snapshots for all pressure and temperature conditions estimated by geometric criteria (details are provided in main text). (Lower Center) Same except for the number of oxygen neighbors within 3.6 Å from the central oxygen atom. (Lower Right) Averages over XRS spectra calculated for snapshots resembling the most frequently occurring subset of configurations from the histograms (Lower Left) as well as representative stick and ball plots of these motifs. arb., arbitrary. (Upper) Comparison of calculated XRS spectra of similar local motifs for different p, T conditions (details are provided in main text).