Si 1.0000000000000000 2.5784705090564741 -0.0000000000000000 0.0000000000000000 -1.2892352545282371 2.2330209637519012 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.2589131031817073 Si 2 Selective dynamics Cartesian -0.0000000128923527 1.4886806499446712 1.0647282757954268 T T T 1.2892352416358848 0.7443403286940372 3.1941848273862807 T T T