#
# mdrun configuration file
#

## potential ##

potential albe
cutoff 2.96

## integration algorithm ##

intalgo verlet
timestep 1.0

## simulation volume ##

volume 
pbc 1 1 1

## temperature / pressure ##

temperature 450.0
pressure 0.0

## ensemble control ##

ectrl 100.0 100.0

## equi ctrl ##

equictrl 1.0 1.0

## initial lattice ##

lattice diamond
#lattice zincblende
element1 silicon
#element2 carbon
fill lc 9 9 9

aattr all h

## initial simulation run ##

prerun 100
avgskip 0

## more stages ##

# format:
# stage <action> <attr>
#
# actions:
#
# ins_atoms <#insertions> <#atoms> <element> \
#           <#atom-attrib> <position>
#
# continue <#runs>
#
# anneal <#annealing-steps> <delta_t>

stage ins_atoms 10 1 14 v h rand 0 0 0 11 11 11
stage ins_atoms 1 1 6 v h rand 0 0 0 5.429 5.429 5.429
stage continue 10000
stage anneal 723 -1.0

## report / log / visualization / save files ##

elog 10
tlog 10
plog 10
vlog 10
save 100
visualize 100