1. Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China.
2. University of Chinese Academy of Sciences, Beijing, 100049, China.
3. MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry, Sun Yat-sen University, Guangzhou, 510275, China.
4. National Supercomputer Center in Guangzhou, School of Computer Science and Engineering, Sun Yat-Sen University, Guangzhou, 510006, China.