Polycrystal
#  1.use Atomsk create an crystal cell and write into data
# atomsk --create fcc 3.65 Fe Fe.xsf

#  2.create an multinode file polycrystal.txt
# box 200 200 200
# random 40

#  3.use atomsk to generate an polycrystal file final.lmp
# atomsk --polycrystal Fe.xsf
# polycrystal.txt final.lmp -wrap

# 4.If need to create alloy polycrystal model please modify
# the number of atom type 1 to 3 in file final.lmp and add
# mass of new atoms' index, example:
# 3 atom types
# masses
# 1 55.845 #Fe
# 2 58.69  #Ni
# 3 51.96  #Cr
 
# 5.Edit file in,replace the designated rate of fe atomsk with 
# Ni and Cr,For exampel file in:
# units           metal
# boundary        p p p
# atom_style      atomic
# timestep        0.001
# neighbor        0.2 bin
# read_data       final.lmp
# set             type 1 type/ratio 2 0.33 8793
# set             type 1 type/ratio 3 0.5 56332
# write_data      FeNiCr.data

# 6. If want a tribiology simulation model with a ball,plase run file in:
# units metal
# boundary p p p
# atom_style atomic
# timestep 0.001
# neighbor 0.2 bin
# read_data FeNiCr.data extra/atom/types 1   
# change_box all z final 0 150 units box   
# region ball sphere 345 96.31 115 25 units box #location
# lattice diamond 3.52
# create_atoms 4 region ball
# mass 4 12.01
# write_data 4.4.data

                            Twin Crystal
1.use atomsk to create twin crystal cell write into :Al.cell.xsf
atomsk --create fcc 4.05 Al orient 11-2 111 -110 -duplicate 
1 3 1 Al.cell.xsf

2.mirror precess and write into Al.mirror.xsf
atomsk Al.cell.xsf -mirror 0 y -wrap Al.mirror.xsf

3.merge cell and mirror and write into Al.final Al.final.xsf
atomsk --merge y 2 Al.cell.xsf Al.mirror.xsf Al.final.xsf