Ba Ti  O  H                             
   1.00000000000000     
     7.9545809164065693   -0.0000000002494884   -0.0000000065534141
    -0.0000000072873152    8.0070295509035976    0.0058423518752781
    -0.0000000081518810    0.0057755049452260    8.0187464295825954
   Ba   Ti   O    H 
     8     8    22     1
Direct
  0.0066977301971449  0.0044098127185031  0.9965641338735255
  0.0066952088149739  0.0042394384135684  0.5029762325148437
  0.4933022695516767  0.0044098139228847  0.9965641330815179
  0.0051082761727344  0.4966834877998034  0.9981026828361594
  0.0044790057909041  0.4969433806118027  0.5015150720643547
  0.4933047904808636  0.0042394395232868  0.5029762344365672
  0.4948917228467337  0.4966834868793931  0.9981026818368144
  0.4955209932459631  0.4969433793982986  0.5015150733555620
  0.2499999965970829  0.2519060767708000  0.2499245205965290
  0.7500000145924492  0.7526694219993568  0.7674171094269219
  0.7499999980125920  0.7633228783938785  0.2344348649194182
  0.2500000103629952  0.2505234125097427  0.7502470365839806
  0.7499999988410314  0.2556790994271714  0.7463885458643524
  0.2500000009248479  0.7494328556739682  0.2516191284040573
  0.2499999876471247  0.7493742747492859  0.7480539907156992
  0.7500000017998671  0.2370671073932113  0.2495459735197169
  0.2499999975715217  0.2500858718880570  0.0000925730151482
  0.7499999925018450  0.7407852560240330  0.0016020764543965
  0.7500000017598718  0.2512993540593769  0.0037502946964531
  0.2500000070120681  0.7499125952060419  0.0006291119262715
  0.9965120046217516  0.2535266370759155  0.2498024797313423
  0.9954162539311880  0.7495431827445478  0.7443337343560683
  0.9913394461498303  0.7462999277447481  0.2572119548959835
  0.9995461731987934  0.2499741200792089  0.7500099133118378
  0.2500000028525852  0.9994137717636576  0.2498581439393606
  0.7500000024084778  0.9934463880086217  0.7448212891226916
  0.2499999981194350  0.9997800592527863  0.7502056190455061
  0.7499999966854857  0.9968428643022894  0.2566036400490566
  0.2500000005969118  0.2502714736150676  0.4995791123054468
  0.7499999974874558  0.2527463534590128  0.4970282739670538
  0.2499999949376495  0.7500262439842625  0.5000948009565342
  0.5034879952972247  0.2535266401843038  0.2498024669528376
  0.5045837456723181  0.7495431891363747  0.7443337140469851
  0.5086605565646419  0.7462999253086472  0.2572119729308938
  0.5004538264421258  0.2499741189883009  0.7500099187570280
  0.2499999992200419  0.5004927560549868  0.2499721855086011
  0.7500000003126637  0.5008901670799105  0.7442954670055938
  0.2499999997925068  0.5003355828350101  0.7499380062337081
  0.7500000009846294  0.5040392801238036  0.2564766192642874
 
  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
