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  • Ab initio trajectories for the equilibrated MgO-SiO2-H2O melts at T = 1800 K and 3000 K are provided as "XDATCAR" files output directly from VASP for each simulation interval. Corresponding stress tensor components, required for calculation of viscosity via the autocorrelation function, together with the energy, temperature, and pressure are also provided for each iteration of the equilibrated trajectories. A full data inventory is provided in the READ_ME.txt file.

  • Stress-Dependent permeability data for samples of the Glasgow Main coal and the overlying mudstone and sandstone from the UKGEOS research borehole GGC01. Associated XRD mineralogy, Helium Porosity, bulk and matrix densities are also included. Samples and data are derived from the UK Geoenergy Observatories Programme funded by the UKRI Natural Environment Research Council and delivered by the British Geological Survey.