Ba   Ti   O    H                        
   1.00000000000000     
     7.9587711801033230    0.0000000000000000    0.0000000000000000
     0.0000000000000000    8.0193016671873405    0.0030940162892445
     0.0000000000000000    0.0030256675371612    8.0128850854960749
   Ba   Ti   O    H 
     8     8    22     1
Direct
  0.0066366470269703  0.0020816838305448  0.9933784969979835
  0.0060134900281102  0.0006460117828963  0.5014049427115457
  0.4933633529730802  0.0020816838305377  0.9933784969979835
  0.0069674401218588  0.4952196421475881  0.9942765583657399
  0.0061565007637138  0.4959707800434879  0.5002306810609229
  0.4939865099718542  0.0006460117828749  0.5014049427115244
  0.4930325598781836  0.4952196421476592  0.9942765583655765
  0.4938434992362791  0.4959707800435163  0.5002306810608519
  0.2500000000000000  0.2501265740888476  0.2486565535953411
  0.7500000000000000  0.7477130359469398  0.7631511088891444
  0.7500000000000000  0.7635025940086702  0.2344435185970778
  0.2500000000000000  0.2480664866920811  0.7482175675576382
  0.7500000000000000  0.2533477676688041  0.7412574857098565
  0.2500000000000000  0.7477953865300895  0.2478297252613664
  0.2500000000000000  0.7482267517363471  0.7458333537681644
  0.7500000000000000  0.2307985579446773  0.2452982982252858
  0.2500000000000000  0.2484135380939266  0.9984550716530564
  0.7500000000000000  0.7409823903718843  0.9989622884424637
  0.7500000000000000  0.2511679647886139  0.0050856740435963
  0.2500000000000000  0.7488437975387549  0.9972198026239797
  0.9954908958929934  0.2536810236414710  0.2486825001344970
  0.9957433282358880  0.7477070921161864  0.7424634005245986
  0.9922606211936214  0.7432687414749514  0.2491440917232535
  0.9994835320812092  0.2481634015241116  0.7484092607870820
  0.2500000000000000  0.9984903266360781  0.2474467685811065
  0.7500000000000000  0.9911016157571247  0.7432138737418617
  0.2500000000000000  0.9982391815270339  0.7485871254824081
  0.7500000000000000  0.9954747681514482  0.2608368705848877
  0.2500000000000000  0.2472343157646676  0.4979047808721943
  0.7500000000000000  0.2540034250656731  0.4980344671375141
  0.2500000000000000  0.7492459622821493  0.4970795932836752
  0.5045091041070066  0.2536810236415207  0.2486825001344970
  0.5042566717641120  0.7477070921161650  0.7424634005246767
  0.5077393788063786  0.7432687414750224  0.2491440917233601
  0.5005164679187766  0.2481634015240831  0.7484092607870607
  0.2500000000000000  0.4987690801937855  0.2479727873216326
  0.7500000000000000  0.4995073630466617  0.7466839465743713
  0.2500000000000000  0.4987438309229137  0.7480750714637013
  0.7500000000000000  0.6998907564196375  0.4669497399452417
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
