Si 1.0000000000000000 2.7256654800945017 -0.0000000000000000 -0.0000000000000000 -1.3628327400472509 2.3604955479801464 -0.0000000000000000 0.0000000000000000 -0.0000000000000000 4.4876134662751959 Si 2 Selective dynamics Cartesian -0.0000000136283274 1.5736637065217496 1.1219033665687992 T T T 1.3628327264189237 0.7868318571950339 3.3657100997063965 T T T