 N Si Ba
   1.0
     5.7834266599999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.9806459700000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    9.3936197900000007
 N Si Ba
  16  10   4
Direct
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   0.5000000000000000  0.3257284500000000  0.6639335500000000
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   0.2511271200000000  0.1639014800000000  0.3209965100000000
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   0.5000000000000000  0.6453231500000001  0.5002607600000000
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