Quasi-random (QR) structure generation was performed using the Global Lattice Energy Explorer code; the method is described in detail in our earlier paper. During the generation of trial structures, a low-discrepancy sequence of vectors is generated by the Sobol method and each vector is mapped onto the structural degrees of freedom of the unit cell, including molecular positions and orientations, as well as lattice parameters that are not constrained by space group symmetry. We use the SAT-expand version of the quasi-random crystal structure generation method, in which the target volume for the unit cell is set as the sum of molecular volumes (which are calculated from the volume of a box enclosing all atoms in the molecule). The separating axis theorem (SAT) is used to detect overlapping molecular convex hulls, which indicate clashing molecules. Such clashes are removed through expansion of the lattice parameters in the direction required to separate overlapping molecules. Structures in which intermolecular clashes could not be relieved with unit cell expansion of less than 2.5 times the original target volume are rejected without lattice energy minimization.