Si 1.0000000000000000 2.5895649209625891 0.0000000000000000 -0.0000000000000000 -1.2947824604812945 2.2426290063026437 -0.0000000000000000 -0.0000000000000000 -0.0000000000000000 5.2909234431943952 Si 2 Selective dynamics Cartesian -0.0000000129478257 1.4950860116771920 1.3227308607985986 T T T 1.2947824475334702 0.7475430095763111 3.9681925823957958 T T T