Create binding site dictionary of the format
\[\begin{split}\boldsymbol{B}=\begin{Bmatrix}
si_1:&
\begin{Bmatrix}
\text{o}: \begin{pmatrix}o_{1,1},\dots o_{1,n}\end{pmatrix}&
\text{type}: \text{in/ex}&
\text{state}: \text{True/False}
\end{Bmatrix}\\
\vdots&\vdots\\
si_m:&
\begin{Bmatrix}
\text{o}: \begin{pmatrix}o_{m,1},\dots o_{m,n}\end{pmatrix}&
\text{type}: \text{in/ex}&
\text{state}: \text{True/False}
\end{Bmatrix}
\end{Bmatrix}\end{split}\]
with entries
- o - Unsaturated oxygen atoms bound to silicon atom
- type - Exterior “ex” or interior “in” binding site
- state - available - True, used - False