# CascadesDB metadata (cascadesdb-metadata/2). Lines starting with # are ignored.

Format: cascadesdb-metadata/2
Record: R04e
Archive: 04e-M07-300K-5keV-L.tar.gz
Archive size (bytes): 8014645
Archive SHA-256: 12eba928b5b615678cd068938a88ba1a14367839ef419e5fc265b798077f56ca

# Attribution
Contributor: Fredric GRANBERG
Affiliation: Department of Physics, University of Helsinki
Country: Finland
Email: fredric.granberg@helsinki.fi
Publication DOI: 10.1088/1361-648X/ab0682
Acknowledgements: This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. AES acknowledges support from the Academy of Finland through project No. 311472. Grants of computer capacity from CSC—IT Center for Science, Finland are gratefully acknowledged.

# Material
Formula: Fe
Structure: bcc
Lattice lengths a, b, c (Å): 2.8613 2.8613 2.8613
Lattice angles alpha, beta, gamma (deg): 90 90 90
Surface: no
Initially perfect: yes

# PKA
PKA atomic number: 26
PKA energy (keV): 5
PKA by recoil: yes

# Simulation set-up
Number of simulations: 1
Simulation time (ps): 30
Initial temperature (K): 300
Box lengths (Å): 171.680842 180.26322 188.847926
Box orientation: 100 010 001
Electronic stopping: yes
Electronic stopping comment: for all atoms with K.E. > 1 eV
Thermostat: yes
Thermostat comment: border cooling, 300 K
Potential: P5
Code: PARCAS
Code version: 5.05

# XYZ columns (one line per column, in order: name | units | description)
Column: element
Column: x | Å
Column: y | Å
Column: z | Å
Column: atom index | | Atom index

# Comments
Comments: Low damage