#
# 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

## initial lattice ##

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

## atom attributes ##

aattr t h123

## initial simulation run ##

prerun 100
avgskip 0

## system attributes, eg ensemble ctrl, equi ctrl, relaxation steps ##

sattr pctrl 100.0 tctrl 100.0 prelax 1.0 trelax 1.0 rsteps 100 avgrst 1

## more stages ##

stage ins_atoms 10 1 14 0 vh123 rand -5.5 -5.5 -5.5 5.5 5.5 5.5
stage ins_atoms 1 1 6 1 vh123 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