Research data for "Understanding phase transitions of α-quartz under dynamic compression conditions by machine-learning driven atomistic simulations"

This dataset supports the paper "Understanding phase transitions of α-quartz under dynamic compression conditions by machine-learning driven atomistic simulations". The paper is online here: The following files are provided: Input files for the shock simulation as well as a number of snapshots from this shock simulation Final structures of the strain diagram from different supercell sizes Snapshot files from the SS-NEB calculations