OpenGL version: 4.0.0 - Build 10.18.10.

4252
Video configuration: Intel(R) HD Graphics 4000
Maximum supported width and height of the viewport: 16384 x 16384
OpenGL depth buffer bit: 16

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Title KCl

Lattice type F
Space group name F m -3 m
Space group number 225
Setting number 1

Lattice parameters

a b c alpha beta gamma

1.00000 1.00000 1.00000 90.0000 90.0000 90.0000

Unit-cell volume = 1.000000 Å^3

Structure parameters

x y z Occ. B Site
Sym.
1 K K 1.00000 1.00000 1.00000 1.000 1.000 4a m-
3m
2 Cl Cl 0.50000 0.50000 0.50000 1.000 1.000 4b m-
3m
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Number of polygons and unique vertices on isosurface = 0 (0)

27 atoms, 0 bonds, 0 polyhedra; CPU time = 168 ms

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Title KCl

Lattice type F
Space group name F m -3 m
Space group number 225
Setting number 1

Lattice parameters

a b c alpha beta gamma

6.29200 6.29200 6.29200 90.0000 90.0000 90.0000

Unit-cell volume = 249.095627 Å^3

Structure parameters

x y z Occ. B Site
Sym.
1 K K 1.00000 1.00000 1.00000 1.000 1.000 4a m-
3m
2 Cl Cl 0.50000 0.50000 0.50000 1.000 1.000 4b m-
3m
===================================================================================
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Number of polygons and unique vertices on isosurface = 0 (0)

27 atoms, 0 bonds, 0 polyhedra; CPU time = 1 ms

Atom: 1 K K 1.00000 0.00000 1.00000 ( 0,-1, 0)+ x, y, z

Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 1 K K 1.00000 0.00000 1.00000 ( 0,-1, 0)+ x, y, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 1 K K 1.00000 0.00000 1.00000 ( 0,-1, 0)+ x, y, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 2 Cl Cl 1.00000 0.00000 0.50000 ( 0,-1, 0)+ x+1/2, y+1/2, z
Occ. = 1.000 Ueq = 1.00000 4b m-3m

l(K-Cl) = 3.14600(0) Å
1 K K 1.00000 0.00000 1.00000 ( 0,-1, 0)+ x, y, z
2 Cl Cl 1.00000 0.00000 0.50000 ( 0,-1, 0)+ x+1/2, y+1/2, z

Atom: 1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z

Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m

l(K-K) = 0.00000(0) Å
1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z
1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z

Atom: 1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z

Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m

l(K-K) = 0.00000(0) Å
1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z
1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z

Atom: 2 Cl Cl 0.50000 1.00000 0.00000 ( 0, 0,-1)+ x, y+1/2, z+1/2

Occ. = 1.000 Ueq = 1.00000 4b m-3m
Atom: 1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m

l(Cl-K) = 3.14600(0) Å
2 Cl Cl 0.50000 1.00000 0.00000 ( 0, 0,-1)+ x, y+1/2, z+1/2
1 K K 1.00000 1.00000 0.00000 ( 0, 0,-1)+ x, y, z

Atom: 1 K K 0.00000 1.00000 1.00000 (-1, 0, 0)+ x, y, z

Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 2 Cl Cl 0.00000 1.00000 0.50000 (-1, 0, 0)+ x+1/2, y+1/2, z
Occ. = 1.000 Ueq = 1.00000 4b m-3m

l(K-Cl) = 3.14600(0) Å
1 K K 0.00000 1.00000 1.00000 (-1, 0, 0)+ x, y, z
2 Cl Cl 0.00000 1.00000 0.50000 (-1, 0, 0)+ x+1/2, y+1/2, z

Atom: 1 K K 1.00000 0.00000 0.00000 ( 0,-1,-1)+ x, y, z

Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 2 Cl Cl 1.00000 0.50000 0.00000 ( 0, 0,-1)+ x+1/2, y, z+1/2
Occ. = 1.000 Ueq = 1.00000 4b m-3m
Atom: 1 K K 0.50000 0.50000 0.00000 (-1,-1,-1)+ x+1/2, y+1/2, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m

phi(K-Cl-K) = 90.0000(0) deg.

1 K K 1.00000 0.00000 0.00000 ( 0,-1,-1)+ x, y, z
2 Cl Cl 1.00000 0.50000 0.00000 ( 0, 0,-1)+ x+1/2, y, z+1/2
1 K K 0.50000 0.50000 0.00000 (-1,-1,-1)+ x+1/2, y+1/2, z

Atom: 2 Cl Cl 0.50000 1.00000 0.00000 ( 0, 0,-1)+ x, y+1/2, z+1/2

Occ. = 1.000 Ueq = 1.00000 4b m-3m
Atom: 1 K K 0.50000 0.50000 0.00000 (-1,-1,-1)+ x+1/2, y+1/2, z
Occ. = 1.000 Ueq = 1.00000 4a m-3m
Atom: 2 Cl Cl 0.00000 0.50000 0.00000 (-1, 0,-1)+ x+1/2, y, z+1/2
Occ. = 1.000 Ueq = 1.00000 4b m-3m

phi(Cl-K-Cl) = 90.0000(0) deg.

2 Cl Cl 0.50000 1.00000 0.00000 ( 0, 0,-1)+ x, y+1/2, z+1/2
1 K K 0.50000 0.50000 0.00000 (-1,-1,-1)+ x+1/2, y+1/2, z
2 Cl Cl 0.00000 0.50000 0.00000 (-1, 0,-1)+ x+1/2, y, z+1/2