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   C    H    S 
    64     6    12     1
Selective dynamics
Direct
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  0.5072928192658362  0.5125532353168410  0.4437535169016655   T   T   T
 
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