# CascadesDB metadata (cascadesdb-metadata/2). Lines starting with # are ignored.
# Fill in the fields. Optional fields can be left blank or deleted.
# For an existing potential give its identifier (e.g. Potential: P2);
# for a new one, give Potential file / DOI / comment instead.

Format: cascadesdb-metadata/2

# Attribution
Contributor:
Affiliation:
Country:
Email:
ORCID:
Publication DOI:
Acknowledgements:

# Material
Formula:
Structure:
Lattice lengths a, b, c (Å):
Lattice angles alpha, beta, gamma (deg):
Surface:
Initially perfect:

# PKA
PKA atomic number:
PKA energy (keV):
PKA by recoil:

# Simulation set-up
Number of simulations:
Simulation time (ps):
Initial temperature (K):
Box lengths (Å):
Box orientation:
Electronic stopping:
Electronic stopping comment:
Thermostat:
Thermostat comment:
Potential:
Potential file:
Potential DOI:
Potential comment:
Code:
Code version:
Input files:
Initial configuration file:
Initial configuration comments:

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

# Individual simulations (optional: file | PKA direction | comment)
# Simulation: cascade-01.xyz | 0.123 -0.456 0.881 | optional comment

# Comments
Comments: