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

Format: cascadesdb-metadata/2
Record: R12c
Archive: 12c-10keV-W-0_hydrostatic.tar.gz
Archive size (bytes): 3325610935
Archive SHA-256: d285905ac131fe80fddd1a9ee39a8e6a2745a39cb7b4a1b7ef4a59bd2420c25e

# Attribution
Contributor: Iisa SAUNAMÄKI
Affiliation: Aalto University
Country: Finland
Email: iisa.saunamaki@aalto.fi
Acknowledgements:
  This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 633053.
  The views and opinions expressed herein do not necessarily reflect those of the European Commission.
  Computational resources provided by the Aalto Science-IT project are gratefully acknowledged.

# 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): 10
PKA by recoil: yes

# Simulation set-up
Number of simulations: 101
Simulation time (ps): 20
Initial temperature (K): 300
Box lengths (Å): 316.404481858 317.8808240963 316.4817329711
Box orientation: 100 010 001
Electronic stopping: yes
Electronic stopping comment: For all atoms with K.E. >10 eV
Thermostat: yes
Thermostat comment: After each cascade simulation (20 ps), temperature quenched back to 300K
Potential: P1
Code: PARCAS
Code version: 5.10
Input files: md.in-*
Initial configuration comments: This data set contains every tenth frame from a series of 1000 consecutive cascades beginning from pristine crystal: i.e. frames 1, 10, 20, 30, ... after 0, 9, 19, 29 cascades; the initial frame for each individual cascade is therefore not available.

# 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:
  Manuscript in preparation

  This data set contains overlapping cascade simulations without external stress from pre-damaged initial conditions.
  This data set contains every tenth frame from a series of 1000 consecutive cascades beginning from pristine crystal.