Si 1.0000000000000000 2.5602281238665765 -0.0000000000000000 0.0000000000000000 -1.2801140619332882 2.2172225947518287 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 6.3289745510947544 Si 2 Selective dynamics Cartesian -0.0000000128011408 1.4781484038919612 1.5822436377736886 T T T 1.2801140491321479 0.7390742056413517 4.7467309133210644 T T T