Si 1.0000000000000000 2.7558883770477407 0.0000000000000000 -0.0000000000000000 -1.3779441885238704 2.3866693445176113 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.5003632753349327 Si 2 Selective dynamics Cartesian -0.0000000137794419 1.5911129043006389 1.1250908188337332 T T T 1.3779441747444288 0.7955564561281017 3.3752724565012002 T T T