Ab initio Molecular Dynamics Trajectories for Hydrous Silicate Melts (NERC Grant NE/P002951/1)
Open data API in a single place
Provided by Government Digital Service
Get early access to Ab initio Molecular Dynamics Trajectories for Hydrous Silicate Melts (NERC Grant NE/P002951/1) API!
Let us know and we will figure it out for you.
Dataset information
Catalog
Country of origin
Updated
Created
Available languages
English
Keywords
Density, NERC_DDC, Viscosity, Melts
Datasource
Quality scoring
90
Dataset description
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.
Build on reliable and scalable technology
FAQ
Frequently Asked Questions
Some basic informations about API Store ®.
Operation and development of APIs are currently fully funded by company Apitalks and its usage is for free.
Yes, you can.
All important information such as time of last update, license and other information are in response of each API call.
In case of major update that would not be compatible with previous version of API, we keep for 30 days both versions so you will have enough time to transfer to new version. We will inform you about the changes in advance by e-mail.
Didn't find the API you need?
Let us know and we will figure it out for you.
API Store provides access to European Open Data via scalable and reliable REST API interface.
Copyright © 2024. Made with ♥ by Apitalks