          59 NSHELL(0)
           1           1 No. of shell, No. of atoms in shell
    1    1    0    0
           2           2 No. of shell, No. of atoms in shell
    1    1    1    2        0.000000        0.000000        0.000000       -1.154701       -1.154701        1.154701
    1    1   59    1        1.154701        1.154701       -1.154701        0.000000        0.000000        0.000000
           3           2 No. of shell, No. of atoms in shell
    1    1    1    3        0.000000        0.000000        0.000000       -1.732051       -0.577350        0.577350
    1    1   58    1        1.732051        0.577350       -0.577350        0.000000        0.000000        0.000000
           4           2 No. of shell, No. of atoms in shell
    1    1    1    4        0.000000        0.000000        0.000000       -0.577350       -1.732051        0.577350
    1    1   57    1        0.577350        1.732051       -0.577350        0.000000        0.000000        0.000000
           5           2 No. of shell, No. of atoms in shell
    1    1    1    5        0.000000        0.000000        0.000000       -1.154701       -1.154701        0.000000
    1    1   56    1        1.154701        1.154701        0.000000        0.000000        0.000000        0.000000
           6           2 No. of shell, No. of atoms in shell
    1    1    1    6        0.000000        0.000000        0.000000       -1.732051       -0.577350       -0.577350
    1    1   55    1        1.732051        0.577350        0.577350        0.000000        0.000000        0.000000
           7           2 No. of shell, No. of atoms in shell
    1    1    1    7        0.000000        0.000000        0.000000       -0.577350       -1.732051       -0.577350
    1    1   54    1        0.577350        1.732051        0.577350        0.000000        0.000000        0.000000
           8           2 No. of shell, No. of atoms in shell
    1    1    1    8        0.000000        0.000000        0.000000       -1.154701       -1.154701       -1.154701
    1    1   53    1        1.154701        1.154701        1.154701        0.000000        0.000000        0.000000
           9           2 No. of shell, No. of atoms in shell
    1    1    1    9        0.000000        0.000000        0.000000       -0.577350       -0.577350        1.732051
    1    1   52    1        0.577350        0.577350       -1.732051        0.000000        0.000000        0.000000
          10           2 No. of shell, No. of atoms in shell
    1    1    1   10        0.000000        0.000000        0.000000       -1.154701        0.000000        1.154701
    1    1   51    1        1.154701        0.000000       -1.154701        0.000000        0.000000        0.000000
          11           2 No. of shell, No. of atoms in shell
    1    1    1   11        0.000000        0.000000        0.000000       -1.732051        0.577350        0.577350
    1    1   50    1        1.732051       -0.577350       -0.577350        0.000000        0.000000        0.000000
          12           2 No. of shell, No. of atoms in shell
    1    1    1   12        0.000000        0.000000        0.000000        0.000000       -1.154701        1.154701
    1    1   49    1        0.000000        1.154701       -1.154701        0.000000        0.000000        0.000000
          13           2 No. of shell, No. of atoms in shell
    1    1    1   13        0.000000        0.000000        0.000000       -0.577350       -0.577350        0.577350
    1    1   48    1        0.577350        0.577350       -0.577350        0.000000        0.000000        0.000000
          14           2 No. of shell, No. of atoms in shell
    1    1    1   14        0.000000        0.000000        0.000000       -1.154701        0.000000        0.000000
    1    1   47    1        1.154701        0.000000        0.000000        0.000000        0.000000        0.000000
          15           2 No. of shell, No. of atoms in shell
    1    1    1   15        0.000000        0.000000        0.000000       -1.732051        0.577350       -0.577350
    1    1   46    1        1.732051       -0.577350        0.577350        0.000000        0.000000        0.000000
          16           2 No. of shell, No. of atoms in shell
    1    1    1   16        0.000000        0.000000        0.000000        0.577350       -1.732051        0.577350
    1    1   45    1       -0.577350        1.732051       -0.577350        0.000000        0.000000        0.000000
          17           2 No. of shell, No. of atoms in shell
    1    1    1   17        0.000000        0.000000        0.000000        0.000000       -1.154701        0.000000
    1    1   44    1        0.000000        1.154701        0.000000        0.000000        0.000000        0.000000
          18           2 No. of shell, No. of atoms in shell
    1    1    1   18        0.000000        0.000000        0.000000       -0.577350       -0.577350       -0.577350
    1    1   43    1        0.577350        0.577350        0.577350        0.000000        0.000000        0.000000
          19           2 No. of shell, No. of atoms in shell
    1    1    1   19        0.000000        0.000000        0.000000       -1.154701        0.000000       -1.154701
    1    1   42    1        1.154701        0.000000        1.154701        0.000000        0.000000        0.000000
          20           2 No. of shell, No. of atoms in shell
    1    1    1   20        0.000000        0.000000        0.000000        0.577350       -1.732051       -0.577350
    1    1   41    1       -0.577350        1.732051        0.577350        0.000000        0.000000        0.000000
          21           2 No. of shell, No. of atoms in shell
    1    1    1   21        0.000000        0.000000        0.000000        0.000000       -1.154701       -1.154701
    1    1   40    1        0.000000        1.154701        1.154701        0.000000        0.000000        0.000000
          22           2 No. of shell, No. of atoms in shell
    1    1    1   22        0.000000        0.000000        0.000000       -0.577350       -0.577350       -1.732051
    1    1   39    1        0.577350        0.577350        1.732051        0.000000        0.000000        0.000000
          23           2 No. of shell, No. of atoms in shell
    1    1    1   23        0.000000        0.000000        0.000000       -0.577350        0.577350        1.732051
    1    1   38    1        0.577350       -0.577350       -1.732051        0.000000        0.000000        0.000000
          24           2 No. of shell, No. of atoms in shell
    1    1    1   24        0.000000        0.000000        0.000000       -1.154701        1.154701        1.154701
    1    1   37    1        1.154701       -1.154701       -1.154701        0.000000        0.000000        0.000000
          25           2 No. of shell, No. of atoms in shell
    1    1    1   25        0.000000        0.000000        0.000000        0.577350       -0.577350        1.732051
    1    1   36    1       -0.577350        0.577350       -1.732051        0.000000        0.000000        0.000000
          26           2 No. of shell, No. of atoms in shell
    1    1    1   26        0.000000        0.000000        0.000000        0.000000        0.000000        1.154701
    1    1   35    1        0.000000        0.000000       -1.154701        0.000000        0.000000        0.000000
          27           2 No. of shell, No. of atoms in shell
    1    1    1   27        0.000000        0.000000        0.000000       -0.577350        0.577350        0.577350
    1    1   34    1        0.577350       -0.577350       -0.577350        0.000000        0.000000        0.000000
          28           2 No. of shell, No. of atoms in shell
    1    1    1   28        0.000000        0.000000        0.000000       -1.154701        1.154701        0.000000
    1    1   33    1        1.154701       -1.154701        0.000000        0.000000        0.000000        0.000000
          29           2 No. of shell, No. of atoms in shell
    1    1    1   29        0.000000        0.000000        0.000000        1.154701       -1.154701        1.154701
    1    1   32    1       -1.154701        1.154701       -1.154701        0.000000        0.000000        0.000000
          30           2 No. of shell, No. of atoms in shell
    1    1    1   30        0.000000        0.000000        0.000000        0.577350       -0.577350        0.577350
    1    1   31    1       -0.577350        0.577350       -0.577350        0.000000        0.000000        0.000000
          31           2 No. of shell, No. of atoms in shell
    1    1    1   31        0.000000        0.000000        0.000000       -0.577350        0.577350       -0.577350
    1    1   30    1        0.577350       -0.577350        0.577350        0.000000        0.000000        0.000000
          32           2 No. of shell, No. of atoms in shell
    1    1    1   32        0.000000        0.000000        0.000000       -1.154701        1.154701       -1.154701
    1    1   29    1        1.154701       -1.154701        1.154701        0.000000        0.000000        0.000000
          33           2 No. of shell, No. of atoms in shell
    1    1    1   33        0.000000        0.000000        0.000000        1.154701       -1.154701        0.000000
    1    1   28    1       -1.154701        1.154701        0.000000        0.000000        0.000000        0.000000
          34           2 No. of shell, No. of atoms in shell
    1    1    1   34        0.000000        0.000000        0.000000        0.577350       -0.577350       -0.577350
    1    1   27    1       -0.577350        0.577350        0.577350        0.000000        0.000000        0.000000
          35           2 No. of shell, No. of atoms in shell
    1    1    1   35        0.000000        0.000000        0.000000        0.000000        0.000000       -1.154701
    1    1   26    1        0.000000        0.000000        1.154701        0.000000        0.000000        0.000000
          36           2 No. of shell, No. of atoms in shell
    1    1    1   36        0.000000        0.000000        0.000000       -0.577350        0.577350       -1.732051
    1    1   25    1        0.577350       -0.577350        1.732051        0.000000        0.000000        0.000000
          37           2 No. of shell, No. of atoms in shell
    1    1    1   37        0.000000        0.000000        0.000000        1.154701       -1.154701       -1.154701
    1    1   24    1       -1.154701        1.154701        1.154701        0.000000        0.000000        0.000000
          38           2 No. of shell, No. of atoms in shell
    1    1    1   38        0.000000        0.000000        0.000000        0.577350       -0.577350       -1.732051
    1    1   23    1       -0.577350        0.577350        1.732051        0.000000        0.000000        0.000000
          39           2 No. of shell, No. of atoms in shell
    1    1    1   39        0.000000        0.000000        0.000000        0.577350        0.577350        1.732051
    1    1   22    1       -0.577350       -0.577350       -1.732051        0.000000        0.000000        0.000000
          40           2 No. of shell, No. of atoms in shell
    1    1    1   40        0.000000        0.000000        0.000000        0.000000        1.154701        1.154701
    1    1   21    1        0.000000       -1.154701       -1.154701        0.000000        0.000000        0.000000
          41           2 No. of shell, No. of atoms in shell
    1    1    1   41        0.000000        0.000000        0.000000       -0.577350        1.732051        0.577350
    1    1   20    1        0.577350       -1.732051       -0.577350        0.000000        0.000000        0.000000
          42           2 No. of shell, No. of atoms in shell
    1    1    1   42        0.000000        0.000000        0.000000        1.154701        0.000000        1.154701
    1    1   19    1       -1.154701        0.000000       -1.154701        0.000000        0.000000        0.000000
          43           2 No. of shell, No. of atoms in shell
    1    1    1   43        0.000000        0.000000        0.000000        0.577350        0.577350        0.577350
    1    1   18    1       -0.577350       -0.577350       -0.577350        0.000000        0.000000        0.000000
          44           2 No. of shell, No. of atoms in shell
    1    1    1   44        0.000000        0.000000        0.000000        0.000000        1.154701        0.000000
    1    1   17    1        0.000000       -1.154701        0.000000        0.000000        0.000000        0.000000
          45           2 No. of shell, No. of atoms in shell
    1    1    1   45        0.000000        0.000000        0.000000       -0.577350        1.732051       -0.577350
    1    1   16    1        0.577350       -1.732051        0.577350        0.000000        0.000000        0.000000
          46           2 No. of shell, No. of atoms in shell
    1    1    1   46        0.000000        0.000000        0.000000        1.732051       -0.577350        0.577350
    1    1   15    1       -1.732051        0.577350       -0.577350        0.000000        0.000000        0.000000
          47           2 No. of shell, No. of atoms in shell
    1    1    1   47        0.000000        0.000000        0.000000        1.154701        0.000000        0.000000
    1    1   14    1       -1.154701        0.000000        0.000000        0.000000        0.000000        0.000000
          48           2 No. of shell, No. of atoms in shell
    1    1    1   48        0.000000        0.000000        0.000000        0.577350        0.577350       -0.577350
    1    1   13    1       -0.577350       -0.577350        0.577350        0.000000        0.000000        0.000000
          49           2 No. of shell, No. of atoms in shell
    1    1    1   49        0.000000        0.000000        0.000000        0.000000        1.154701       -1.154701
    1    1   12    1        0.000000       -1.154701        1.154701        0.000000        0.000000        0.000000
          50           2 No. of shell, No. of atoms in shell
    1    1    1   50        0.000000        0.000000        0.000000        1.732051       -0.577350       -0.577350
    1    1   11    1       -1.732051        0.577350        0.577350        0.000000        0.000000        0.000000
          51           2 No. of shell, No. of atoms in shell
    1    1    1   51        0.000000        0.000000        0.000000        1.154701        0.000000       -1.154701
    1    1   10    1       -1.154701        0.000000        1.154701        0.000000        0.000000        0.000000
          52           2 No. of shell, No. of atoms in shell
    1    1    1   52        0.000000        0.000000        0.000000        0.577350        0.577350       -1.732051
    1    1    9    1       -0.577350       -0.577350        1.732051        0.000000        0.000000        0.000000
          53           2 No. of shell, No. of atoms in shell
    1    1    1   53        0.000000        0.000000        0.000000        1.154701        1.154701        1.154701
    1    1    8    1       -1.154701       -1.154701       -1.154701        0.000000        0.000000        0.000000
          54           2 No. of shell, No. of atoms in shell
    1    1    1   54        0.000000        0.000000        0.000000        0.577350        1.732051        0.577350
    1    1    7    1       -0.577350       -1.732051       -0.577350        0.000000        0.000000        0.000000
          55           2 No. of shell, No. of atoms in shell
    1    1    1   55        0.000000        0.000000        0.000000        1.732051        0.577350        0.577350
    1    1    6    1       -1.732051       -0.577350       -0.577350        0.000000        0.000000        0.000000
          56           2 No. of shell, No. of atoms in shell
    1    1    1   56        0.000000        0.000000        0.000000        1.154701        1.154701        0.000000
    1    1    5    1       -1.154701       -1.154701        0.000000        0.000000        0.000000        0.000000
          57           2 No. of shell, No. of atoms in shell
    1    1    1   57        0.000000        0.000000        0.000000        0.577350        1.732051       -0.577350
    1    1    4    1       -0.577350       -1.732051        0.577350        0.000000        0.000000        0.000000
          58           2 No. of shell, No. of atoms in shell
    1    1    1   58        0.000000        0.000000        0.000000        1.732051        0.577350       -0.577350
    1    1    3    1       -1.732051       -0.577350        0.577350        0.000000        0.000000        0.000000
          59           2 No. of shell, No. of atoms in shell
    1    1    1   59        0.000000        0.000000        0.000000        1.154701        1.154701       -1.154701
    1    1    2    1       -1.154701       -1.154701        1.154701        0.000000        0.000000        0.000000
