Si 1.0000000000000000 2.7484920438181715 0.0000000000000000 -0.0000000000000000 -1.3742460219090857 2.3802639320459491 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.4882687130402070 Si 2 Selective dynamics Cartesian -0.0000000137424603 1.5868426292981799 1.1220671782600518 T T T 1.3742460081666255 0.7934213186161966 3.3662015347801550 T T T