5 https://doi.org/10.1002/jcc.21769 Si 0.715452 0.944157 -0.270162 Si 0.822738 -2.210230 -1.453488 Si -1.171290 -1.456535 1.156440 Si 1.251249 -1.227517 0.765830 Si -1.006124 -0.587667 -1.143735