 Ba Pr Ti O
   1.0
     3.8979934100000002    0.0000000000000000    0.0000000000000000
     0.0000000000000000   28.0927303500000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.6252945600000004
 Ba Pr Ti O
   4   8  12  40
Direct
   0.0000000000000000  0.2571965700000000  0.2500000000000000
   0.5000000000000000  0.2428034300000000  0.7500000000000000
   0.5000000000000000  0.7571965700000001  0.2500000000000000
   0.0000000000000000  0.7428034299999999  0.7500000000000000
   0.5000000000000000  0.0726171300000000  0.7500000000000000
   0.0000000000000000  0.4273828700000000  0.2500000000000000
   0.0000000000000000  0.4198821400000000  0.7500000000000000
   0.5000000000000000  0.0801178600000000  0.2500000000000000
   0.0000000000000000  0.5726171300000000  0.7500000000000000
   0.5000000000000000  0.9273828700000000  0.2500000000000000
   0.5000000000000000  0.9198821400000000  0.7500000000000000
   0.0000000000000000  0.5801178600000000  0.2500000000000000
   0.0000000000000000  0.1462989600000000  0.9945431300000001
   0.5000000000000000  0.3537010400000000  0.0054568700000000
   0.0000000000000000  0.1462989600000000  0.5054568699999999
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.3537010400000000  0.4945431300000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.6462989600000000  0.9945431300000001
   0.0000000000000000  0.8537010400000000  0.0054568700000000
   0.5000000000000000  0.6462989600000000  0.5054568699999999
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.8537010400000000  0.4945431300000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.2921141000000000  0.0474607000000000
   0.0000000000000000  0.2078859000000000  0.9525393000000000
   0.0000000000000000  0.3685614600000000  0.4924222300000000
   0.5000000000000000  0.4842857200000000  0.2500000000000000
   0.0000000000000000  0.0670909200000000  0.0495718000000000
   0.5000000000000000  0.1314385400000000  0.5075777699999999
   0.0000000000000000  0.0157142800000000  0.7500000000000000
   0.5000000000000000  0.3770138100000000  0.2500000000000000
   0.0000000000000000  0.2078859000000000  0.5474607000000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.1314385400000000  0.9924222300000000
   0.5000000000000000  0.4329090800000000  0.5495718000000001
   0.0000000000000000  0.3685614600000000  0.0075777700000000
   0.0000000000000000  0.0670909200000000  0.4504282000000000
   0.5000000000000000  0.2921141000000000  0.4525393000000000
   0.5000000000000000  0.4329090800000000  0.9504281999999999
   0.0000000000000000  0.1464607200000000  0.2500000000000000
   0.0000000000000000  0.1229861900000000  0.7500000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.3535392800000000  0.7500000000000000
   0.0000000000000000  0.7921141000000000  0.0474607000000000
   0.5000000000000000  0.7078859000000000  0.9525393000000000
   0.5000000000000000  0.8685614600000000  0.4924222300000000
   0.0000000000000000  0.9842857200000000  0.2500000000000000
   0.5000000000000000  0.5670909200000001  0.0495718000000000
   0.0000000000000000  0.6314385400000000  0.5075777699999999
   0.5000000000000000  0.5157142800000001  0.7500000000000000
   0.0000000000000000  0.8770138100000000  0.2500000000000000
   0.5000000000000000  0.7078859000000000  0.5474607000000000
   0.0000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.6314385400000000  0.9924222300000000
   0.0000000000000000  0.9329090799999999  0.5495718000000001
   0.5000000000000000  0.8685614600000000  0.0075777700000000
   0.5000000000000000  0.5670909200000001  0.4504282000000000
   0.0000000000000000  0.7921141000000000  0.4525393000000000
   0.0000000000000000  0.9329090799999999  0.9504281999999999
   0.5000000000000000  0.6464607200000000  0.2500000000000000
   0.5000000000000000  0.6229861900000000  0.7500000000000000
   0.0000000000000000  0.5000000000000000  0.5000000000000000
   0.0000000000000000  0.8535392800000000  0.7500000000000000