1. Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, United States
2. Laboratory of Crystallography, University of Bayreuth, Bayreuth 95447, Germany
3. Leadership Computing Facility, Argonne National Laboratory, Lemont, Illinois 60439, United States
4. Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois 60439, United States
5. Department of Quantum Matter, AdSM, Hiroshima University, Higashi-Hiroshima 739-8530, Japan
6. Department of Physics, University of Colorado at Boulder, Boulder, Colorado 80309, United States
7. Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States