New structure                           
  0.880000000000000     
     5.5657924945792523    0.0000000000000000   -0.0000000000000000
     0.0000000000000000    5.5657924945792523    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.5657924945792523
   U    H 
     4    32
Direct
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  0.0000000000000000  0.5000000000000000  0.5000000000000000
  0.5000000000000000 -0.0000000000000000  0.5000000000000000
  0.5000000000000000  0.5000000000000000  0.0000000000000000
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  0.6346001323024629  0.3653998676975370  0.6346001323024629
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