The C atom is slightly displaced in \hkl[0 1 -1] direction.
A binding energy of \unit[-0.59]{eV} indicates the occurrence of much less strain reduction compared to that in the latter configuration.
Evidently this is due to a smaller displacement of Si atom 1, which would be directly bound to the replaced Si atom at position 2.
-In the case of a vacancy created at position 4, even a slightly higher binding energy of \unit[-0.54]{eV} is observed, while the Si atom at the bottom left, which is bound to the \ci{} DB atom, is vastly displaced along \hkl[1 0 -1].
+In the case of a vacancy created at position 4, even a slightly higher binding energy of \unit[-0.54]{eV} is observed while the Si atom at the bottom left, which is bound to the \ci{} DB atom, is vastly displaced along \hkl[1 0 -1].
However the displacement of the C atom along \hkl[0 0 -1] is less compared to the one in the previous configuration.
Although expected due to the symmetric initial configuration, Si atom number 1 is not displaced correspondingly and also the \si DB atom is displaced to a greater extent in \hkl[-1 0 0] than in \hkl[0 -1 0] direction.
The symmetric configuration is, thus, assumed to constitute a local maximum, which is driven into the present state by the conjugate gradient method used for relaxation.
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