Si 1.0000000000000000 2.9733944196442179 0.0000000000000000 -0.0000000000000000 -1.4866972098221090 2.5750351028827803 -0.0000000000000000 0.0000000000000000 0.0000000000000000 4.8304570530563753 Si 2 Selective dynamics Cartesian -0.0000000148669726 1.7166900771719704 1.2076142632640940 T T T 1.4866971949551373 0.8583450428777105 3.6228427897922826 T T T