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

Format: cascadesdb-metadata/2
Record: R0bf
Archive: 0bf-ATZN-void-1-893-15.tar.bz2
Archive size (bytes): 1277736870
Archive SHA-256: 9c223a6047e68b4fe650c01d531dd3fb37f37ca72b209b289977ca405e1af60b

# Attribution
Contributor: Aslak FELLMAN
Affiliation: Department of Physics, University of Helsinki
Country: Finland
Email: aslak.fellman@helsinki.fi
Publication DOI: 10.1088/1361-648x/ab2ea4
Acknowledgements: This work has been carried out within the framework of the EURO-fusion 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. We acknowledge grants of computer capacity from the IT Centre for Science in Finland, CSC and the Finnish Grid and Cloud Infrastructure (persistent identifier urn:nbn:fi:research-infras-2016072533)

# Material
Formula: W
Structure: bcc
Lattice lengths a, b, c (Å): 3.1652 3.1652 3.1652
Lattice angles alpha, beta, gamma (deg): 90 90 90
Surface: no
Initially perfect: no

# PKA
PKA atomic number: 74
PKA energy (keV): 1
PKA by recoil: yes

# Simulation set-up
Number of simulations: 200
Simulation time (ps): 100
Initial temperature (K): 300
Box lengths (Å): 170.949492 170.948533 170.949267
Box orientation: 100 010 001
Electronic stopping: yes
Electronic stopping comment: for all atoms with K.E. >10 eV
Thermostat: yes
Thermostat comment: On the border atoms
Potential: P15
Code: PARCAS
Code version: V5.22
Input files: md.in-*
Initial configuration file: W-1-void-893-300.xyz
Initial configuration comments: Initial defect: void consisting of 893 vacancies. PKA chosen 15 Å from cell center.

# XYZ columns (one line per column, in order: name | units | description)
Column: element
Column: x | Å
Column: y | Å
Column: z | Å
Column: atom identifier | | Atom identifier: integer identifying the atom type.
Column: atom index | | Atom index
Column: PE | eV | Atom potential energy
Column: KE | eV | Atom kinetic energy

# Comments
Comments: Collision cascade simulations with systems containing vacancy type defects in tungsten