C:\Users\ADRIAN\Documents\Au_re_evaluaci
   1.00000000000000     
    11.5999999999999996    0.0000000000000000    0.0000000000000000
    -5.7999999999999998   10.0458949999999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000   22.1039999999999992
   Au   S    C    H 
    64     1     1     4
Selective dynamics
Direct
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  0.4369928244591215  0.5857215349187997  0.5176577673642458   T   T   T
  0.6282688963662149  0.5720579001825880  0.4480368020169239   T   T   T
 
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