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

Format: cascadesdb-metadata/2
Record: R06d
Archive: 06d-fe_AM04_100k_bx120_80kev_test1_rnd_80kev100k.tar.gz
Archive size (bytes): 295475689
Archive SHA-256: de2b0ecaa00209e9f38ae4ca81ec032f76bcbed45c3b9a10c6345634b4b78d5e

# Attribution
Contributor: Christophe DOMAIN
Affiliation: EDF R&D Lab Les Renardières
Country: France
Email: christophe.domain@edf.fr
Publication DOI: 10.1088/1361-648X/aadb4e
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 and 2019-2020 under grant agreement No 633053.
  This work is part of the European project SOTERIA (661913).
  The views and opinions expressed herein do not necessarily reflect those of the European Commission.

# 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): 80
PKA by recoil: yes

# Simulation set-up
Number of simulations: 11
Simulation time (ps): 56.425
Initial temperature (K): 100
Box lengths (Å): 342.636 342.636 342.636
Box orientation: 100 010 001
Electronic stopping: no
Thermostat: no
Thermostat comment: NVE
Potential: P7
Code: DYMOKA
Code version: 16.10

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

# Comments
Comments:
  PKA direction 1 3 5
  thermalization initial conditions: 100 101 102 105 108 109 112 114 115 116 117