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

Format: cascadesdb-metadata/2
Record: R06f
Archive: 06f-DD_50keV_10.tar.gz
Archive size (bytes): 1081415415
Archive SHA-256: b4de9cd02eb92b7bfd0e1f36aad420817f04035c9d547eb8ca86a9a873b58238

# Attribution
Contributor: María CATURLA
Affiliation: Department of Applied Physics, University of Alicante
Country: Spain
Email: mj.caturla@ua.es
Publication DOI: 10.1016/j.actamat.2015.08.063
Acknowledgements:
  Data generation and processing by María José ALIAGA, Department of Applied Physics, University of Alicante, Spain.

  This work, supported by the European Communities under the contract of Association between EURATOM/Tekes, was carried out within the framework of the European Fusion Development Agreement.
  The views and opinions expressed herein do not necessarily reflect those of the European Commission.
  Grants for computer time from the HPC-FF supercomputer of the Juelich Supercomputer Center (Germany) and the Helios supercomputer at Rokkasho (Japan), are gratefully acknowledged.

# Material
Formula: Fe
Structure: bcc
Lattice lengths a, b, c (Å): 2.8553 2.8553 2.8553
Lattice angles alpha, beta, gamma (deg): 90 90 90
Surface: no
Initially perfect: yes

# PKA
PKA atomic number: 26
PKA energy (keV): 50
PKA by recoil: yes

# Simulation set-up
Number of simulations: 14
Simulation time (ps): 30
Initial temperature (K): 0
Box lengths (Å): 515.97 515.97 515.97
Box orientation: 100 010 001
Electronic stopping: no
Thermostat: yes
Thermostat comment: on borders, 0 Kelvin; see publication
Potential: P8
Code: MDCASK
Code version: 1.1

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