1. Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195-1700, Multiscale Dynamic Materials Modeling, Sandia National Laboratories, Albuquerque, New Mexico 87185-1322, Department of Chemistry, University of New Mexico, Albuquerque, New Mexico 87131, and Advanced Materials Laboratory, Sandia National Laboratories, Albuquerque, New Mexico 87106