 N Si Ba
   1.0
     5.6147117499999997    0.0000000000000000    0.0000000000000000
     0.0000000000000000   11.3844493399999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.5814902899999996
 N Si Ba
  16   8   8
Direct
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