Dipolar-Lennard-Jones Clusters

Cluster	Energy	Structure	Coordinates
7PAA	-17.98851885		xyz-file
7PAB	-20.02491203		xyz-file
8O	-20.92893498		xyz-file
8PBB	-27.02475044		xyz-file
9S	-25.893470475		xyz-file
9PAA	-29.36519689		xyz-file
9PBB	-31.08488911		xyz-file
10S	-30.53767847		xyz-file
10PAA	-33.27315159		xyz-file
10PAB	-34.24277599		xyz-file
11S	-33.48820116		xyz-file
11SB	-35.74607927		xyz-file

Cluster	Energy	Structure	Coordinates
11O	-38.85833298		xyz-file
11PBB	-44.83071097		xyz-file
12S	-38.52771624		xyz-file
12SB	-40.96001462		xyz-file
12O	-42.72041012		xyz-file
12PBB	-48.79371544		xyz-file
13S	-45.72481797		xyz-file
13SB	-52.76959938		xyz-file
13PAB	-54.43895278		xyz-file
13PBB	-56.43546863		xyz-file

Low-lying minima for Lennard-Jones particles interacting with am additonal dipole along the z-axis.

Clusters are rendered according to: rings, grey particles; spindles, yellow particles; spindles with no opposing spindle particle, red; non-rigid particle, purple.

Increasing Dipolar strength leads to a succession of minima, in the sequence of polytetrahedra stretched along the z-axis (S, SB), clusters based on octahedra (O) and spirals (PAA, PAB and PBB). Furtther details can be found in ref (1).

¹ Please cite K Skipper, FJ Moore and CP Royall, J. Chem. Phys. 161, 144308 (2024).