 O Si Ba
   1.0
    12.5037389500000007    0.0000000000000000   -0.0084122700000000
     0.0000000000000000    4.6860931800000003    0.0000000000000000
    -0.8554079200000000    0.0000000000000000   13.9565013100000002
 O Si Ba
  32  12   8
Direct
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   0.0010728100000000  0.3437178300000000  0.2871903100000000
   0.0010728100000000  0.1562821700000000  0.7871903099999999
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   0.2874799900000000  0.2620827300000000  0.3337030600000000
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   0.3180011100000000  0.8461324600000000  0.2106845300000000
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   0.4174050300000000  0.7718741300000000  0.8897534000000000