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

Format: cascadesdb-metadata/2
Record: R09f
Archive: 09f-pd-200.tar.gz
Archive size (bytes): 500811785
Archive SHA-256: d595661e7d8dbeae08a10014bc5157a52b7467ea4a15d813b2c20c08cb358ab4

# Attribution
Contributor: Andrea SAND
Affiliation: Department of Physics, University of Helsinki
Country: Finland
Email: andrea.sand@helsinki.fi
Publication DOI: 10.1016/j.jnucmat.2014.09.029
Acknowledgements: This work has in part 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. Grants from the Academy of Finland and for computer time from the Centre for Scientific Computing in Espoo, Finland, are gratefully acknowledged. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

# Material
Formula: Pd
Structure: fcc
Lattice lengths a, b, c (Å): 3.89046 3.89046 3.89046
Lattice angles alpha, beta, gamma (deg): 90 90 90
Surface: no
Initially perfect: yes

# PKA
PKA atomic number: 46
PKA energy (keV): 200
PKA by recoil: yes

# Simulation set-up
Number of simulations: 4
Simulation time (ps): 40
Initial temperature (K): 0
Box lengths (Å): 505.7598 505.7598 505.7598
Box orientation: 100 010 001
Electronic stopping: yes
Electronic stopping comment: for all atoms with K.E. > 10 eV; see publication
Thermostat: yes
Thermostat comment: on borders, 0 Kelvin; see publication
Potential: P9
Code: PARCAS
Code version: 5.02b

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