# ------------------------ INITIALIZATION ----------------------------
processors	12 7 1

units		metal
boundary	p p f
atom_style	atomic
newton		on

# ----------------------- ATOM DEFINITION ----------------------------

read_data data_dep_term


mass            1 28.085e95
mass		2 28.085
mass 		3 28.085
mass            4 72.64


group fixed        type 1
group substrater   type 2
group substrate    type 3
group addatoms     type 4

region  myblock    block   0.0 92.7576 0.0 92.7576 100.00 100.00
 

# ------------------------ FORCE FIELDS ------------------------------

# Potencial Tersoff

pair_style      tersoff
pair_coeff      * * SiGe.tersoff Si Si Si Ge

neighbor	0.0 bin
neigh_modify	every 1 delay 0 check no


timestep        0.001
run_style	verlet


# ----------------------------------------------------------------------------------


fix             1 all nve
fix             2 fixed setforce 0.0 0.0 0.0

compute temp0 fixed      temp 
compute temp1 substrater temp
compute temp2 substrate  temp

compute vol all voronoi/atom
compute stressat all stress/atom NULL


fix              depGe addatoms deposit 13824  4 2500 65445 region myblock vz -7.0 -7.0  units box


compute temp3 addatoms   temp
compute_modify	temp3  dynamic/dof yes 



#------------ Equilibration

fix              equilib    substrater temp/rescale 500 1464 1464 1.0 1.0


variable        paso equal step

#----Informacion en lammps.out ------------#
 
thermo_style    custom step atoms temp c_temp0 c_temp1 c_temp2 c_temp3 ke epair etotal press 
thermo_modify   flush yes 
thermo		100


#To obtain Potential energy per atom
compute         poteng all pe/atom



dump            AtomPosVel   all custom 500 sitf.* id type x y z vx vy vz
dump		AtomPosVel1  all custom 50000 pos.* id type x y z c_stressat[1] c_stressat[2] c_stressat[3] c_stressat[4] c_stressat[5] c_stressat[6] c_vol[1] 

restart          50000  restart1 restart2

run             35000000