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| *<math> \alpha = \beta = \gamma = 90^0 </math> | | *<math> \alpha = \beta = \gamma = 90^0 </math> |
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Revision as of 12:00, 13 February 2008
- a cubic simulation box whose sides are of length
![{\displaystyle \left.L\right.}](https://wikimedia.org/api/rest_v1/media/math/render/svg/42b28a0767ae24baa77b93edbbbadd848967baf7)
- a number of lattice positions,
given by
,
with
being a positive integer
- The
positions are those given by:
![{\displaystyle \left\{{\begin{array}{l}x_{a}=i_{a}\times (\delta l)\\y_{a}=j_{a}\times (\delta l)\\z_{a}=k_{a}\times (\delta l)\end{array}}\right\}}](https://wikimedia.org/api/rest_v1/media/math/render/svg/db729ab99aa81ef5ffe255aa6e8f82f61f0d90b1)
where the indices of a given valid site are integer numbers that must fulfill the following criteria
![{\displaystyle 0\leq i_{a}<2m}](https://wikimedia.org/api/rest_v1/media/math/render/svg/03bed74c0eb16829162dea07d171e535af499b3c)
![{\displaystyle 0\leq j_{a}<2m}](https://wikimedia.org/api/rest_v1/media/math/render/svg/5059a8b4e4dfaa3c87e23fc13d83469cc1fdd9a8)
,
- the sum of
must be, for instance, an even number.
with
Atomic position(s) on a cubic cell
- Number of atoms per cell: 4
- Coordinates:
Atom 1:
Atom 2:
Atom 3:
Atom 4:
Cell dimensions:
![{\displaystyle a=b=c=l}](https://wikimedia.org/api/rest_v1/media/math/render/svg/58fdda452bcb38fd967c88beab1a0105ed617e28)
![{\displaystyle \alpha =\beta =\gamma =90^{0}}](https://wikimedia.org/api/rest_v1/media/math/render/svg/fadff4daaa4b05f77fc76d0aad2365f8ad638595)