# Name of the script - Example

units		metal
atom_style	atomic
boundary	p p p

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

read_data     SilicaNewConfig3b3.txt

#--Masses--#

mass 1 28.0855
mass 2 15.9994

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


pair_style tersoff

pair_coeff * * SiO.tersoff  Si O 

group moving id <= 686
group fixed id <> 687 1545
#group fixed id <= 859
#group moving id <> 859 1545

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

velocity moving create 600.0 5619 dist gaussian

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


fix 1 moving langevin 600.0 600.0 0.500 5619
fix 2 moving nve


#------output files-------------------------------
#dump    SilicaDump all custom 150 dump.starting id type x y z vx vy vz
dump    SilicaDump1 all xyz 1 dump.Startingxyz.xyz

thermo_style custom step temp press pe etotal
thermo 1

run 50