1. Computer-Aided Energetic Materials Design Group
2. Xi'an Modern Chemistry Research Institute
3. Xi'an 710065, P. R. China
4. Multiscale Computational Materials Facility
5. School of Materials Science and Engineering
6. Loker Research Institute
7. University of Southern California
8. Los Angeles, USA
9. Fuzhou University
10. Fuzhou 350108, P. R. China