Si 1.0000000000000000 2.8754835138767532 -0.0000000000000000 0.0000000000000000 -1.4377417569383766 2.4902417711806120 -0.0000000000000000 0.0000000000000000 0.0000000000000000 4.7263673523157603 Si 2 Selective dynamics Cartesian -0.0000000143774182 1.6601611890878807 1.1815918380789401 T T T 1.4377417425609589 0.8300805986943435 3.5447755142368189 T T T