Data corresponding to "Revisiting the Phase Diagram of Hard Sphere Dumbbells with Nested Sampling: Known Phases and Alternative Packing Variants"

We explore the use of the nested sampling technique to sample the configuration space of non-spherical hard particles. We employ the technique on the hard dumbbell system consisting of two hard spheres connected by a rigid bond, and investigate the phase stability across a wide pressure range and for bond lengths from completely overlapping to tangential hard spheres. Nested sampling recovers all previously identified features of the phase diagram and identifies a family of new packing variants. Nested sampling also identified a close packed structure with Pnma symmetry which has not previously been considered. The database contains input and output files of nested sampling calculations, as well as configuration files for the Pnma phase with ten different bond lengths.