Si 1.0000000000000000 2.9733944196442468 0.0000000000000000 -0.0000000000000000 -1.4866972098221234 2.5750351028828051 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.8304570530562367 Si 2 Selective dynamics Cartesian -0.0000000148669727 1.7166900771719871 1.2076142632640590 T T T 1.4866971949551513 0.8583450428777188 3.6228427897921769 T T T