This work was supported by National Natural Science Funds for Distinguished Young Scholars (Grant 21425728 ), National Basic Research Program of China (973 Program) (Grant 2013CB632402 ), National Key Research and Development Program of China (Grant 2016YFA0203002 ), National Science Foundation of China (Grant 51472100 ), and Graduate Education Innovation Funding Project Grant from CCNU ( 2016CXZZ54 ). We thank Dr. Liying Wang and Dr. Liting Luo (National Center for Magnetic Resonance in Wuhan) for the solid-state NMR and EPR characterization of samples. We also thank the National Supercomputer Center in Jinan for providing high performance computation. Appendix A