Si 1.0000000000000000 2.7994499375955910 0.0000000000000000 -0.0000000000000000 -1.3997249687977955 2.4243947625805427 -0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.5408302985970952 Si 2 Selective dynamics Cartesian -0.0000000139972500 1.6162631831350116 1.1352075746492736 T T T 1.3997249548005459 0.8081315956081638 3.4056227239478205 T T T