From a sequence of pockets sampled with increasing lid energies, a tree structure, often called a disconnectivity graph, can be constructed to represent the energy landscape . The disconnectivity graph condenses the continuous, high dimensional potential energy surface into the set of discrete local minima and information on the energy barriers that separate them. To construct the disconnectivity graph, the energy landscape is analyzed at a set of energies along the vertical axis. The nodes at a given energy, E i , represent superbasins on the energy surface: the set of local minima that are connected by pathways below E i . Moving up in energy, nodes are connected as higher energy pathways connect groups of superbasins, while moving down on the graph leads to disconnections until the end of each branch, corresponding to single local energy minima. The horizontal axis has no direct physical meaning and is introduced for visualization, so that structures connected by lower energy barriers are grouped together. Vertices along the branches between nodes and minima are also for visualization only. A schematic of a one-dimensional potential energy surface and its associated disconnectivity graph is shown in Fig. . In most simulations presented in this work, the lid energy was increased in increments of 5 kJ mol -1 , which is chosen as a balance between precision in the calculated energy barriers and the need to explore a wide energy range. For each threshold simulation, the lid energy was increased from the minimized energy of the initial structure. Sampling was started from multiple initial structures, usually corresponding to the energy minimized versions of observed polymorphs, which leads to different energy grids from different start points. When plotting the disconnectivity, we used a new energy grid starting from the lowest energy among all the initial structures, with the increment of 5 kJ mol -1 , to merge trajectories into one graph. Any lid energy from a single threshold algorithm was rounded up to the closest lid energy in the new grid.