Dataset for interface calculations as BSON mongodump and JSON formats for the publication: "High-throughput generation of potential energy surfaces for solid interfaces"

This dataset that contains the results presented in the journal article entitled "High-throughput generation of potential energy surfaces for solid interfaces" that was published in Volume 207 of the Elsevier journal Computational Materials Science.

The dataset consists of a dump of a MongoDB database with a single collection that contains data on 6 solid interfaces including the generalized stacking fault energies, corrugation, interface distances and adhesion sites for the film and the substrate at minimum and maximum adhesion energy configurations, and images of the full potential energy surface (PES).

The data is served in two different formats; a BSON mongodump folder that can be restored to a MongoDB instance using the mongorestore tool, and additionally as simple .json files. The contents are identical and the users are encouraged to choose the format that is convenient for them.