Dataset

AIP Publishing 2026 Dataset Open access

Read full text
Authors: Andrea Silva, Detre Teschner, Travis Jones, Simone Piccinin
DOI: 10.60893/figshare.jcp.30855179
Cited by: 0

Abstract

Geometries in POSCAR file, QE output in XML, MACE MLIP training set in XYZ

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026
Document type
Dataset