Si 1.0000000000000000 2.8942159086732708 0.0000000000000000 -0.0000000000000000 -1.4471079543366354 2.5064645009481152 -0.0000000000000000 -0.0000000000000000 -0.0000000000000000 5.4496257772243473 Si 2 Selective dynamics Cartesian -0.0000000144710800 1.6709763423202919 1.3624064443060870 T T T 1.4471079398655564 0.8354881753375867 4.0872193329182602 T T T