.. index:: pair: struct; phase::IceXXIHit .. _doxid-structphase_1_1_ice_x_x_i_hit: struct phase::IceXXIHit ======================= .. toctree:: :hidden: Ice XXI library: Lee et al., Nat. Mater. 25, 302 (2026), I-4 2d, Z=152, a=b=20.197 A, c=7.891 A, 1.413 g/cm^3. A hit also requires a tetrahedral four-nearest graph (mean coordination in [3.5, 4.5]) and an I-42d 4-NN fingerprint: six-ring census near 112, not the ice-I 2\*n law, and more than one local-key class. Occupancy and density alone are not a match. .. ref-code-block:: cpp :class: doxyrest-overview-code-block #include struct IceXXIHit { // fields bool :target:`match` = false; int :target:`nSites` = 0; int :target:`nSix` = 0; int :target:`nClasses` = 0; double :target:`a` = 0.0; double :target:`c` = 0.0; double :target:`density` = 0.0; double :target:`meanCoord` = 0.0; };