The Geoscience Large Object Store (GLOS) is a database for the storage of models and related digital objects, together with metadata that describes the details of the originating model software. This will allow the models to be re-used by the originating software this presupposes that the software and hardware platforms are still available for use. Longer-term preservation will be achieved through the use of the Geoscience Spatial Framework.

Open source modeling code, with which all data were generated: https://github.com/kuangdai/AxiSEM-3D This code was primarily developed within the NERC-funded project, and used for a at least 10 publications over the past two years: [1] Wolf, Long, Leng, Nissen-Meyer. Sensitivity of SK(K)S and ScS phases to heterogeneous anisotropy in the lowermost mantle from global wavefield simulations, 2021. GJI, 228, 366–386, https://doi.org/10.1093/gji/ggab347 [2] Krier, Thorne, Leng, Nissen-Meyer: A compositional component to the Samoa ultralow-velocity zone revealed through 2- and 3-D waveform modeling of SKS and SKKS differential travel-times and amplitudes, Journal of Geophysical Research. doi:10.1029/2021JB021897 [3] Thorne, M. S., Leng, K., Pachhai, S., Rost, S., Wicks, J., & Nissen-Meyer, T. (2021). The most parsimonious ultralow-velocity zone distribution from highly anomalous SPdKS waveforms. Geochemistry, Geophysics, Geosystems, 22, e2020GC009467. https://doi.org/10.1029/2020GC009467 [4] Haindl, Leng, Nissen-Meyer, 2021. A 3D Complexity-Adaptive Approach to Explore Sparsity in Visco-Elastic Wave Propagation, Geophysics, doi.org/10.1190/geo2020-0490.1 [5] Tesoniero, Leng, Long, Nissen-Meyer. Full wave sensitivity of SK(K)S phases to arbitrary anisotropy in the upper and lower mantle, Geophysical Journal International, 222, 412–435, https://doi.org/10.1093/gji/ggaa171 [6] Thorne, M.S.; Pachhai, S.; Leng, K.; Wicks, J.K.; Nissen-Meyer, T, 2020. New Candidate Ultralow-Velocity Zone Locations from Highly Anomalous SPdKS Waveforms. Minerals 2020, 10, 211. [7] Fernando, Leng, Nissen-Meyer, 2020. Oceanic high-frequency global seismic wave propagation with realistic bathymetry, Geophysical Journal International, 222, 1178–1194, https://doi.org/10.1093/gji/ggaa248 [8] Leng, Korenaga, Nissen-Meyer, 2020. Three-dimensional scattering of elastic waves by small-scale heterogeneities in the Earth’s mantle, Geophysical Journal International, 223, 1, 502–525, https://doi.org/10.1093/gji/ggaa331 [9] Szenicer, Leng, Nissen-Meyer, 2020. A complexity-driven framework for waveform tomography with discrete adjoints, Geophysical Journal International, https://doi.org/10.1093/gji/ggaa349 [10] Leng, Nissen-Meyer, van Driel, Hosseini, Al-Attar, 2019. AxiSEM3D: broad-band seismic wavefields in 3-D global earth models with undulating discontinuities, Geophysical J Int., 217, 2125–2146 Each of publications is based on the code mentioned above, and metadata for running the simulations of the papers are given therein, in a reproducible manner.

Data output from the numerical flow modelling in GRL manuscript ""Evidence for the top-down control of lava domes on magma ascent dynamics"", by Marsden, L., Neuberg, J. & Thomas, M., all of University of Leeds. The models were created using the Laminar Flow module in COMSOL Multiphysics v5.4 by L. Marsden. The following files are uploaded: Archive_Reference_Model.txt (Reference flow model: Gas loss function, Initial H2O content = 4.5 wt.% Excess pressure at depth = 10 MPa, Constant corresponding to crystal growth rate = 4e-6 s^-1 ) Archive_High_H2O.txt (Gas loss function, Initial H2O content = 10 wt.% Excess pressure at depth = 10 MPa, Constant corresponding to crystal growth rate = 4e-6 s^-1) Archive_No_Gas_Loss.txt (No gas loss, Initial H2O content = 4.5 wt.% Excess pressure at depth = 10 MPa, Constant corresponding to crystal growth rate = 4e-6 s^-1) Archive_Gamma_Low.txt (Gas loss function, Initial H2O content = 4.5 wt.% Excess pressure at depth = 10 MPa, Constant corresponding to crystal growth rate = 1e-6 s^-1) Archive_Excess_Pressure_0MPa.txt (Gas loss function, Initial H2O content = 4.5 wt.% Excess pressure at depth = 0 MPa, Constant corresponding to crystal growth rate = 4e-6 s^-1) Archive_Excess_Pressure_20MPa.txt (Gas loss function, Initial H2O content = 4.5 wt.% Excess pressure at depth = 20 MPa, Constant corresponding to crystal growth rate = 4e-6 s^-1) The files uploaded include the reference flow model and where a single key parameter has been changed in the flow modelling. We include data where the key parameter is at the upper or lower limit of the values tested. Data are not included where magma ascent is modelled to stall without the extrusion of a lava dome, as a time dependent model is not run in this case. A solution is provided using equilibrium modelling only. The following variables are output, at conduit centre unless specified: Depth (m), Time(s), Ascent velocity (m/s), Bulk Viscosity (Pa s), Crystal Content, Dome height (m), Gas Volume Fraction, Overpressure (Pa), Shear Stress at Conduit Wall (Pa)

**Mothballed**The Geoscience Spatial Framework (GSF) is a database for the storage of 3D modelled surfaces and volumes, in a data structure that is independent of the originating model software. It is based on the simplest possible spatial unit (the point), which can be obtained from the export formats of most modelling packages. The points are stored as Latitude/longitude pairs referred to the ETRF89 datum, although the elevation does not rigorously conform. Topological information (triangulation) is provided, which indicates how points may form surfaces or volumes. The GSF allows models to be linked to a range of attributes describing their properties and to integrate with other BGS data sets, including metadata.

The data are the gridded recharge values obtained from the BGS distributed recharge model (ZOODRM) driven by 11 Ensembles of the HaDCM3 Regional Climate Model (RCM) taken from the Future Flow and Groundwater Level data set (http://www.ceh.ac.uk/our-science/projects/future-flows-and-groundwater-levels). The model covers the mainland areas of England, Scotland and Wales. The 11 ensembles are run from January 1950 to December 2099. The dataset themselves are the gridded (2 km by 2 km) outputs from the recharge model averaged over four time horizons: historical, 20s, 50s, and 80s, for each of the 11 ensembles. The results can be used to assess the impact of climate change on potential recharge (soil drainage) for catchments in mainland England, Scotland and Wales.

The download .rar file contains a groundwater model of the coastal aquifer in Kwale County, Kenya (ModelMuse Text File) produced by Dr Nuria Ferrer and Dr Albert Folch at the Universitat Politècnica de Catalunya. The model can be used to explore future climate and groundwater abstraction scenarios to provide management recommendations. The download does not include proprietary abstraction data from industry project partners, thus running the model provided here will not reproduce published research findings. The file named”np67IH.bhd” are the initial heads file required to run the model.

Ab initio and classical molecular dynamic simulations of supercooled liquid iron alloys at conditions of Earth’s core. This dataset includes molecular dynamic data of supercooled liquid iron at high temperature and pressure used to describe the phenomenon of liquid to solid nucleation. All outputs are in text form and either represent the time taken for a simulation to freeze spontaneously, or the size-frequency distribution of solid-like clusters of atoms withing supercooled liquids. In limited cases, the complete outputs and inputs are included. Due to the large volume that these occupy, most outputs are simply the histograms of size-frequency and the scripts used to perform the calculations. Large numbers of these molecular dynamic simulations were performed at each target temperature and volume (to achieve constant pressure) with the only difference being the initial trajectories of atoms. Also included are the ab initio molecular dynamic simulations used to train the embedded atom models which define the behaviour of the classical simulations. These are only included for FeSi, FeS and FeC alloys because Fe and FeO are borrowed from the studies Alfè et al., 2002 and Davies et al., 2021. This is described in Wilson et al., 2023. This data covers the conditions at the centre of the Earth for a range of supercooled temperatures. Volumes vary to maintain 360 GPa whilst temperatures range from 3800 K to 6000 K. Compositions between 100% Fe, 3% S, Si and C, and 10% O are explored. Higher concentrations of S, Si and C are not explored due to instability of the defining embedded atom models. Simulations were conducted using the VASP (Kresse and Hafner, 1993) and LAMMPS (Thompson et al., 2022) packages, using the ARCHER2 HPC system. Simulations were carried out between June 2020 and February 2023. This data was collected to understand the process of nucleation within the Earth’s liquid core, in hopes of resolving the Inner Core Nucleation Paradox. Those interested in the process of nucleation and sub-critical nuclei will find the data particularly relevant. This data was collected by Alfred Wilson-Spencer, Monica Pozzo, Dario Alfè and Chris Davies of the University of Leeds and University College London. This was a part of the NERC grant Resolving the Inner Core Nucleation Paradox (NE/T000228/1).

Data for NERC grant NE/L000660/1. This is the data supporting Fig. 4 of the publication: Ebigbo, A., Lang, P. S., Paluszny, A., and Zimmerman, R. W. (2016). Inclusion-based effective medium models for the permeability of a 3D fractured rock mass. Transport In Porous Media, DOI: 10.1007/s11242-016-0685-z. It contains numerically computed permeabilities for various realisations of fracture networks. There are six different cases (as explained in the paper).

This dataset comprises ECLIPSE input decks for a 3D reservoir simulation of the CO2 plume at the Sleipner CO2 injection site. This whole reservoir model is an attempt to history match the growth of the plume observed on seismic data. A seismic velocity and density model derived from the 3D reservoir simulation is also included, together with a series of Seismic Unix scripts to create a synthetic seismic section through the Sleipner reservoir model, for comparison with released time-lapse seismic data.

Elastic constants were calculated by using the stress-strain method and density functional theory for crystals of different symmetry. A toolkit was developed to facilitate the input preparation and output processing for elastic calculations using the Vienna Ab Initio Simulation Packge (VASP). The details of the calculation. methods, and the toolkit will be published elsewhere and linked to this deposit. The deposit contains example folders for the monoclinic, orthorhombic, trigonal, tetragonal, hexagonal and cubic lattices. The purpose of this deposit is to provide examples for the toolkit users.