# Name of the script - Example

units		metal
atom_style	atomic
boundary	p p p


#--------Reading Configuration----------

read_data     alpha8108Silica5a.txt

#--Masses--##

mass 1 28.0855
mass 2 15.9994

#------interaction coefficients e,sigma,cutouff----------


pair_style tersoff

pair_coeff * * SiO.tersoff  Si O 

#----initial velocity-----

velocity all create 5000 91 dist gaussian
#velocity all scale 300.0

#-------neighbor list rebuild parameters----------

timestep        0.0005
neighbor        0.7 bin                             					
neigh_modify every 1 delay 0 check yes

#-------integration method(temp Tstart Tstop Tdamp)---------------


fix 1 all npt temp 5000 5000 0.125 iso 0.0 0.0 100

fix 2 all nve


#minimize 1.0e-7 1.0e-5 100 100
#min_style cg

#------output files-------------------------------


dump    SilicaDump all custom 1000 dump.starting id type x y z vx vy vz
dump    SilicaDump1 all xyz 350 dump.Startingxyz.xyz

thermo_style custom step temp press pe etotal vol
thermo  1000

#run 100000
#run 9400000
run 2000