1. Otto-Schott-Institut für Materialforschung, Friedrich-Schiller-Universität Jena, 07743 Jena, Germany
2. Integrated Computational Materials Engineering (ICME) Group, VTT Technical Research Centre of Finland Ltd., 02150 Espoo, Finland
3. Department of Physics and Centre for the Physics of Materials, McGill University, Montreal, QC H3A 2T8, Canada