Si 1.0000000000000000 2.5602281233628341 0.0000000000000000 0.0000000000000000 -1.2801140616814171 2.2172225943155732 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.3289796135220744 Si 2 Selective dynamics Cartesian -0.0000000128011409 1.4781484036011243 1.5822449033805188 T T T 1.2801140488802765 0.7390742054959337 4.7467347101415553 T T T