refeff 0.4.0

Typed library facade for the pure-Rust FEFF10 port
Documentation 
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TITLE ZnSe (cubic zinc sulfide structure)
HOLE 1 1.0
CONTROL 1 1 1 1 1 1
PRINT 1 0 0 0 0 3
RMAX 6.0
NLEG 4
EXAFS 20

POTENTIALS
0 30 Zn
1 30 Zn
2 34 Se
3 36 Kr

ATOMS
 0.00000  0.00000  0.00000 0 Zn1
 1.41690  1.41690  1.41690 2 Se1_1
-1.41690 -1.41690  1.41690 3 Br_1
-1.41690  1.41690 -1.41690 2 Se1_1
 1.41690 -1.41690 -1.41690 2 Se1_1
 2.83380  2.83380  0.00000 1 Zn1_1
-2.83380  2.83380  0.00000 1 Zn1_1
 2.83380 -2.83380  0.00000 1 Zn1_1
-2.83380 -2.83380  0.00000 1 Zn1_1
 2.83380  0.00000  2.83380 1 Zn1_1
-2.83380  0.00000  2.83380 1 Zn1_1
 0.00000  2.83380  2.83380 1 Zn1_1
 0.00000 -2.83380  2.83380 1 Zn1_1
 2.83380  0.00000 -2.83380 1 Zn1_1
-2.83380  0.00000 -2.83380 1 Zn1_1
 0.00000  2.83380 -2.83380 1 Zn1_1
 0.00000 -2.83380 -2.83380 1 Zn1_1
-4.25070  1.41690  1.41690 2 Se1_2
-1.41690  4.25070  1.41690 2 Se1_2
 4.25070 -1.41690  1.41690 2 Se1_2
 1.41690 -4.25070  1.41690 2 Se1_2
-1.41690  1.41690  4.25070 2 Se1_2
 1.41690 -1.41690  4.25070 2 Se1_2
 4.25070  1.41690 -1.41690 2 Se1_2
 1.41690  4.25070 -1.41690 2 Se1_2
-4.25070 -1.41690 -1.41690 2 Se1_2
-1.41690 -4.25070 -1.41690 2 Se1_2
 1.41690  1.41690 -4.25070 2 Se1_2
-1.41690 -1.41690 -4.25070 2 Se1_2
 5.66760  0.00000  0.00000 1 Zn1_2
-5.66760  0.00000  0.00000 1 Zn1_2
 0.00000  5.66760  0.00000 1 Zn1_2
 0.00000 -5.66760  0.00000 1 Zn1_2
 0.00000  0.00000  5.66760 1 Zn1_2
 0.00000  0.00000 -5.66760 1 Zn1_2
END