* This feff template was generated by the Feff template generator
 * Atoms written by and copyright (c) Bruce Ravel, 1998, 1999, 2000

 TITLE = Ni[CN]4 : molecule positions from crystal structure
 TITLE = see Inorganic Chemistry
 TITLE = A. Munoz-Paez, S. Diaz-Moreno, E. Sanchez-Marcos, JJ Rehr

 HOLE   1   1.0

 *         mphase,mpath,mfeff,mchi
 CONTROL   1      1     1     1
 PRINT     1      0     0     0

 RMAX      4.0

 POTENTIALS
 *    ipot   Z  element
       0    28   Ni
       1    6    C
       2    7    N
       
 ATOMS
 *   x          y          z      ipot
    0          0          0        0   Ni
   -0.64766    0.90624   -1.46418  1   C2    1.83972
    0.64766   -0.90624    1.46418  1   C2    1.83972
    0.71628    1.58976    0.75081  1   C1    1.89845
   -0.71628   -1.58976   -0.75081  1   C1    1.89845 
   -1.01223    1.53600   -2.30246  2   N2    2.94707
    1.01223   -1.53600    2.30246  2   N2    2.94707 
    1.11946    2.59584    1.12184  2   N1    3.04140
   -1.11946   -2.59584   -1.12184  2   N1    3.04140 


*!!&& Local Variables:
*!!&& input-program-name: "feff"
*!!&& End:
*%# Input-mode Time-stamp: <2000/05/10 17:55:32 bruce>