Si 1.0000000000000000 2.9898876973416808 0.0000000000000000 0.0000000000000000 -1.4949438486708404 2.5893187003604554 -0.0000000000000000 0.0000000000000000 0.0000000000000000 2.7311686446285410 Si 1 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T