# LAMMPS Input File

# Licensed under CC BY 4.0

# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025)

# By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer

# Please cite doi.org/10.33011/livecoms.6.1.3037

# Find more on GitHub: https://github.com/lammpstutorials

units metal

boundary p p p

atom_style full

pair_style vashishta

neighbor 1.0 bin

neigh_modify delay 1

read_data generate.data

pair_coeff * * SiO.1990.vashishta Si O

dump viz all image 250 myimage-*.ppm type type &

shiny 0.1 box no 0.01 view 180 90 zoom 3.4 size 1700 700

dump_modify viz backcolor white &

acolor Si yellow adiam Si 2.5 &

acolor O red adiam O 2

thermo 250

thermo_style custom step temp etotal vol density

timestep 0.001

fix nvt1 all nvt temp 300 300 0.1

fix mydef all deform 1 x erate 0.015

run 20000

unfix mydef

run 5000

write_data cracking.data