Results of ab initio molecular-dynamics simulations of the properties of solid ${\mathrm{C}}_{60}$ are reported. The soccerball structure of molecular ${\mathrm{C}}_{60}$ is well preserved in the solid. The T=0 structure consists of alternating single and double bonds, but this distinction becomes blurred at relatively low temperatures. The intermolecular interactions are so weak that the individual ${\mathrm{C}}_{60}$ can rotate at relatively low temperatures. At high temperatures vibrations cause large distortions, but the case structure is still preserved. The present results are in excellent agreement with photoemission and NMR data.

• Received 30 January 1991

DOI:https://doi.org/10.1103/PhysRevLett.66.2633