Calculation results are sorted with respect to the elements on C60.
   


     Li/ :: Contains all the results regarding Li decorated C60 for different
            number of Li.


    Sc/  :: Contains all the results regarding Sc decorated C60 for different
            number of Sc.

    Na/  :: Contains all the results regarding Na decorated C60 for different
            number of Na.

    Si/  :: Contains all the results regarding Si decorated C60 for different
            number of Si.
   
    Be/  :: Contains all the results regarding Be decorated C60 for different
            number of Be.

    Ca/  :: Contains all the results regarding Ca decorated C60 for different
            number of Ca.
            
               posout*.xyz :: output structure
            
           These are the optimized strutures and the
            starting point for minima hopping runs.
           The software is free and can be downloaded from this
           link http://bigdft.org/Wiki/index.php?title=BigDFT_website .
           The explanations of the input files can be found in
           http://bigdft.org/Wiki/index.php?title=Minima_Hopping





     ELF_CALCULATION  :: Contains INCAR files for geometry optimization and electron localization function in VASP.
                         The calculations are done at PBE level. ELF files are too big to upload. If anyone interested 
                         can directly ask the authors.   

              
The details of the work can be found https://doi.org/10.1016/j.carbon.2017.11.086 .