Si 1.0000000000000000 2.7994499375955528 -0.0000000000000000 0.0000000000000000 -1.3997249687977764 2.4243947625805093 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.5408302985971059 Si 2 Selective dynamics Cartesian -0.0000000139972503 1.6162631831349887 1.1352075746492765 T T T 1.3997249548005268 0.8081315956081525 3.4056227239478307 T T T