Here, $a_{\text{c-Si prec}}$ denotes the lattice constant of the surrounding crystalline Si and $a_{\text{3C-SiC prec}}$ is the lattice constant of the precipitate.
The lattice constant of plain c-Si at \unit[20]{$^{\circ}$C} can be determined more accurately by the side lengths of the simulation box of an equilibrated structure instead of using the radial distribution data.
By this, a value of $a_{\text{plain c-Si}}=5.439\,\text{\AA}$ is obtained.
The same lattice constant is assumed for the c-Si surrounding in the precipitate configuration $a_{\text{c-Si prec}}$ since peaks in the radial distribution match the ones of plain c-Si.
Using $a_{\text{3C-SiC prec}}=4.34\,\text{\AA}$ as observed from the radial distribution finally results in an increase of the initial volume by \unit[0.12]{\%}.
However, each side length and the total volume of the simulation box is increased by \unit[0.20]{\%} and \unit[0.61]{\%} respectively compared to plain c-Si at \unit[20]{$^{\circ}$C}.
Here, $a_{\text{c-Si prec}}$ denotes the lattice constant of the surrounding crystalline Si and $a_{\text{3C-SiC prec}}$ is the lattice constant of the precipitate.
The lattice constant of plain c-Si at \unit[20]{$^{\circ}$C} can be determined more accurately by the side lengths of the simulation box of an equilibrated structure instead of using the radial distribution data.
By this, a value of $a_{\text{plain c-Si}}=5.439\,\text{\AA}$ is obtained.
The same lattice constant is assumed for the c-Si surrounding in the precipitate configuration $a_{\text{c-Si prec}}$ since peaks in the radial distribution match the ones of plain c-Si.
Using $a_{\text{3C-SiC prec}}=4.34\,\text{\AA}$ as observed from the radial distribution finally results in an increase of the initial volume by \unit[0.12]{\%}.
However, each side length and the total volume of the simulation box is increased by \unit[0.20]{\%} and \unit[0.61]{\%} respectively compared to plain c-Si at \unit[20]{$^{\circ}$C}.