Si 1.0000000000000000 2.7559337208226671 -0.0000000000000000 0.0000000000000000 -1.3779668604113335 2.3867086133786009 -0.0000000000000000 0.0000000000000000 0.0000000000000000 4.5004373660282555 Si 2 Selective dynamics Cartesian -0.0000000137796689 1.5911390835414294 1.1251093415070639 T T T 1.3779668466316648 0.7955695457485625 3.3753280245211910 T T T