1. Max Planck Institute for Chemistry, Hahn-Meitner-Weg 1, 55128 Mainz, Germany
2. Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Street, 52425 Jülich, Germany
3. Institute of Arctic and Alpine Research, University of Colorado, Boulder, Colorado 80305, United States