Building up a face centered cubic lattice

• Consider:

1. a cubic simulation box whose sides are of length $\left.L\right.$
2. a number of lattice positions, $\left.M\right.$ given by $\left.M=4m^{3}\right.$,

with $m$ being a positive integer

• The $\left.M\right.$ positions are those given by:

$\left\{{\begin{array}{l}x_{a}=i_{a}\times (\delta l)\\y_{a}=j_{a}\times (\delta l)\\z_{a}=k_{a}\times (\delta l)\end{array}}\right\}$

where the indices of a given valid site are integer numbers that must fulfill the following criteria

• $0\leq i_{a}<2m$
• $0\leq j_{a}<2m$
• $0\leq k_{a}<2m$,
• the sum of Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \left.i_{a}+j_{a}+k_{a}\right.} must be, for instance, an even number.

with $\left.\delta l=L/(2m)\right.$

Atomic position(s) on a cubic cell

• Number of atoms per cell: 4
• 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( 0 , \frac{l}{2}, \frac{l}{2}\right) }

Atom 3: 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_3, y_3, z_2 \right) = \left( \frac{l}{2}, 0, \frac{l}{2} \right) }

Atom 4: 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_4, y_4, z_2 \right) = \left( \frac{l}{2}, \frac{l}{2}, 0 \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 }