Building up a body centered cubic lattice

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  • Consider:
  1. a cubic simulation box whose sides are of length Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \left.L\right.}
  2. a number of lattice positions, given by Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \left.M=2m^{3}\right.} , with being a positive integer
  • The positions are those given by:
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\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\}}

where the indices of a given valid site must fulfill:

  • must be either all odd or all even.
  • Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle 0\leq i_{a}\leq 2m}
  • Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle 0\leq j_{a}\leq 2m}

and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.\delta l = L/(2m) \right. }

Atomic position(s) on a cubic cell

  • Number of atoms per cell: 2
  • Coordinates:

Atom 1: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left( x_1, y_1, z_1 \right) = \left( 0, 0, 0 \right) }

Atom 2: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left( x_2, y_2, z_2 \right) = \left( l/2, l/2, l/2 \right) }


Cell dimensions:

  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle a=b=c = l }
  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \alpha = \beta = \gamma = 90^0 }