We applied the same protocol as above to the common Tet 6 Tri 8 topology, which switches between two main geometries as a function of the tritopic and tetratopic angle (Fig. and Fig. ). These data agree with the geometrical analysis performed by Tranchemontagne et al. regarding this topology. Their analysis highlights the range of deviations that occur in real molecular structures, due to flexibility in bonded interactions, for example. Comparing their analysis to the width of stability shown in our model suggests that we are considering more rigid connections than the experimental systems. Low energy structures for this topol-461 ogy have good shape similarity to octahedral (OC-6) and cubic 462 (CU-8) measures, depending on whether it is measured from 463 the tetratopic or tritopic building blocks, respectively. How-464 ever, Fig. (c) shows that the overall cage geometry changes 465 significantly; therefore, measuring the shape of cages based on 466 decoupled building block positions may be limited. The distinc-467 tion between 80 ∘ and 90 ∘ tetratopic building blocks is stark, 468 with regards to the stable geometries and pore size, which 469 suggests this topology may be ripe for controlled adaptabil-470 ity, where small changes in building block preference (through 471 external stimuli, for example) could result in large changes in 472 cage configuration. 3.6. Application to future screening. Here, we aim to high-474 light the utility of this model and the next directions we can 475 take. Immediately, it is clear that our model only provides a 476 geometrical understanding of topology stability, and will not 477 capture the changes in self-assembly outcomes that have been 478 studied experimentally (e.g., how metal identity may change the 479 kinetics). In particular, our model, based only on connectivity, 480 is expected to provide multiple solutions approximating what 481 could be expected during the self-assembly process. However, 482 there is an insight to gain from these solutions, especially if 483 the experimental and model data disagree. Through this over-484 simplification, we can begin to pinpoint the dominant factors 485 in many different self-assembly outcomes.