xcrysden-data 1.5.60-1 / usr / share / xcrysden / examples / WIEN_struct_files / pt.struct

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/usr/share/xcrysden/examples/WIEN_struct_files/pt.struct is in xcrysden-data 1.5.60-1.

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Title                                                                          
F   LATTICE,NONEQUIV. ATOMS  1                                                 
MODE OF CALC=RELA                                                              
  7.515955  7.515955  7.515955 90.000000 90.000000 90.000000
ATOM=  1: X=0.00000000 Y=0.00000000 Z=0.00000000                               
          MULT= 1          ISPLIT= 0                                           
Pt         NPT=  781  R0=0.00000500 RMT=    2.5500   Z: 78.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000                             
                     0.0000000 1.0000000 0.0000000                             
                     0.0000000 0.0000000 1.0000000                             
  48      NUMBER OF SYMMETRY OPERATIONS                                        
 1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
       1                                                                       
 1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
 0-1 0 0.0000000                                                               
       2                                                                       
-1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
       3                                                                       
-1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
 0-1 0 0.0000000                                                               
       4                                                                       
 0 1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
       5                                                                       
 0 0 1 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
       6                                                                       
 0 1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
       7                                                                       
 0 0 1 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
       8                                                                       
 0 1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
-1 0 0 0.0000000                                                               
       9                                                                       
 0 0 1 0.0000000                                                               
 0-1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
      10                                                                       
 0 1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
 1 0 0 0.0000000                                                               
      11                                                                       
 0 0 1 0.0000000                                                               
 0-1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
      12                                                                       
 0-1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
      13                                                                       
 0-1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
      14                                                                       
 0 0-1 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
      15                                                                       
 0 0-1 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
      16                                                                       
 1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
      17                                                                       
-1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
      18                                                                       
 1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
 0-1 0 0.0000000                                                               
      19                                                                       
-1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
 0-1 0 0.0000000                                                               
      20                                                                       
 0-1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
-1 0 0 0.0000000                                                               
      21                                                                       
 0 0-1 0.0000000                                                               
 0-1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
      22                                                                       
 0-1 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
 1 0 0 0.0000000                                                               
      23                                                                       
 0 0-1 0.0000000                                                               
 0-1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
      24                                                                       
 0 0 1 0.0000000                                                               
 0 1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
      25                                                                       
 0 1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
-1 0 0 0.0000000                                                               
      26                                                                       
 0 0 1 0.0000000                                                               
 0 1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
      27                                                                       
 0 1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
 1 0 0 0.0000000                                                               
      28                                                                       
 1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
 0 1 0 0.0000000                                                               
      29                                                                       
-1 0 0 0.0000000                                                               
 0 0-1 0.0000000                                                               
 0 1 0 0.0000000                                                               
      30                                                                       
 1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      31                                                                       
-1 0 0 0.0000000                                                               
 0-1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      32                                                                       
 0 0 1 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
      33                                                                       
 0 0 1 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
      34                                                                       
 0 1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      35                                                                       
 0 1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      36                                                                       
 0 0-1 0.0000000                                                               
 0 1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
      37                                                                       
 0-1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
-1 0 0 0.0000000                                                               
      38                                                                       
 0 0-1 0.0000000                                                               
 0 1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
      39                                                                       
 0-1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
 1 0 0 0.0000000                                                               
      40                                                                       
 0 0-1 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
      41                                                                       
 0-1 0 0.0000000                                                               
-1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      42                                                                       
 0 0-1 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
      43                                                                       
 0-1 0 0.0000000                                                               
 1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      44                                                                       
 1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
 0 1 0 0.0000000                                                               
      45                                                                       
 1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      46                                                                       
-1 0 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
 0 1 0 0.0000000                                                               
      47                                                                       
-1 0 0 0.0000000                                                               
 0 1 0 0.0000000                                                               
 0 0 1 0.0000000                                                               
      48

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