Modified Morse Clusters: Table of Global Minima

Global minima of the clusters modeled by the modified Morse (MM[rho,phi]) pair potential for cluster size N = 10-210. MM[6,-2] gives rho=6 and phi=-2, and MM[6,4] gives rho=6 and phi=4. Es_tot gives the strain energy, and Es₁ gives the strain energy of r > 1. All energies are given in units of the pair well depth.

PG gives the point group, NN gives the number of nearest neighbors, and Motifs give the packing style.

The Motifs: I -- Mackay icosahedral; PI -- polyicosahedral; T -- tetrahedral; D -- decahedral; F -- face-centered cubic; cp -- close-packed. (+) means anti-layers. (-) means incompleteness of the non-outest layers. The number before the motifs means the size of the basic tetrahedron contained in the structure (for details of the motifs, please see ChemPhysChem 2007, 8, 569).

Click on the energy to access the coordinates file for the structure (in .xyz format).

Longjiu Cheng, and Jinlong Yang 2007 (to be submitted)
Modified Morse Potential for Unification of the Pair Interactions