#------------------------------------------
# Sample vampire input file to perform
# a time series simulation for a rocksalt
# structure
# Provided as part of the 2019 Vampire 
# Workshop.
#------------------------------------------

#---------------------------------------------------
# System dimensions
#---------------------------------------------------
dimensions:system-size-x=4 !nm
dimensions:system-size-y=4 !nm
dimensions:system-size-z=10 !nm
dimensions:unit-cell-size=3.5 !A
#---------------------------------------------------
# Creation attributes
#---------------------------------------------------
create:crystal-structure=fcc
create:periodic-boundaries-x
create:periodic-boundaries-y
create:periodic-boundaries-z
create:crystal-structure=rocksalt
#---------------------------------------------------
# Material files
#---------------------------------------------------
material:file=rocksalt.mat
#---------------------------------------------------
# Simulation attributes
#---------------------------------------------------
sim:temperature=0.1
sim:total-time-steps=11000
sim:time-steps-increment=1000
sim:program=time-series
sim:integrator=monte-carlo
#---------------------------------------------------
# Data output
#---------------------------------------------------
output:time-steps
output:temperature
output:material-magnetisation
config:atoms
config:atoms-output-rate=10