XYZ file si-frac.xyz 1728 Si Silicon 14 28.090000 0 1.110000 4.153000 14.000000 33.520000 33.520000 33.520000 90.000000 90.000000 90.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 TRUE TRUE 1 0.000000 0.000000 TRUE