Hello,

My intention is to create a different composition inside and outside a spherical region contained in a box.

The atoms.data is the structure file. The spherical region is being created with a total of 22,400 atoms in it, but group 7 inside the sphere is ending up with 748,000 atoms. I am not able to understand where I am going wrong. I request you to kindly take a look at the code.

For this purpose I used the code as shown below

units metal

dimension 3

boundary p s p

atom_style atomic

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

variable latparam equal 3.17

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

read_data atoms.data

region r3 sphere 315 78 89 30 side in

lattice fcc 3.52

create_atoms 7 region r3

group r3 region r3

variable fa equal 21497

variable fb equal 20900

variable fc equal 20700

variable fd equal 20600

variable fe equal 20000

variable ff equal 19000

variable ft equal 22393

set type 1 type/fraction 2 (v_fa/v_ft) 1734536
set type 2 type/fraction 3 (v_fb/(21497)) 1734535

set type 3 type/fraction 4 (v_fc/(20900)) 1734534
set type 4 type/fraction 5 (v_fd/(20700)) 1734533

set type 5 type/fraction 6 (v_fe/(20600)) 1734533
set type 6 type/fraction 7 (v_ff/(20000)) 1734533

group Co type 1

group Cu type 2

group Cr type 3

group Fe type 4

group Ni type 5

group W type 6

group Al type 7

region r4 sphere 315 78 89 30 side out

lattice fcc 3.52

create_atoms 7 region r4

group r4 region r4

variable fa equal 50000

variable fb equal 37609

variable fc equal 24933

variable fd equal 12421

variable fe equal 10

variable ff equal 1

variable ft equal 62500

set type 1 type/fraction 2 (v_fa/v_ft) 1734536
set type 2 type/fraction 3 (v_fb/(50000)) 1734535

set type 3 type/fraction 4 (v_fc/(37609)) 1734534
set type 4 type/fraction 5 (v_fd/(24933)) 1734533

set type 5 type/fraction 6 (v_fe/(12421)) 1734533
set type 6 type/fraction 7 (v_ff/(12457)) 1734533

group Co type 1

group Cu type 2

group Cr type 3

group Fe type 4

group Ni type 5

group W type 6

group Al type 7

pair_style eam/alloy

pair_coeff * * CoCuCrFeNiWAl.set Co Cu Cr Fe Ni W Al

neighbor 0.3 bin

neigh_modify delay 5

neighbor 2.0 bin

neigh_modify delay 10 check yes