Si 1.0000000000000000 2.7179115902180100 0.0000000000000000 0.0000000000000000 -1.3589557951090050 2.3537804823689576 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.4569707927852962 Si 2 Selective dynamics Cartesian -0.0000000135895580 1.5691869960919063 1.1142426981963240 T T T 1.3589557815194475 0.7845935019689206 3.3427280945889710 T T T