Ba   Ti   O    H                        
   1.00000000000000     
     7.9644819249988581    0.0000000000000000    0.0000000000000000
     0.0000000000000000    8.0220793320610593    0.0016812230397345
     0.0000000000000000    0.0016100923072101    8.0281455304717184
   Ba   Ti   O    H 
     8     8    22     1
Direct
  0.0069824411523155  0.0037466088165929  0.9943235522436765
  0.0070876762118021  0.0028109774283225  0.5024678002041207
  0.4930175588477346  0.0037466088165858  0.9943235522436765
  0.0073896689078849  0.4961374357097271  0.9954517374020109
  0.0086028683467159  0.4961852694206383  0.5012522560698441
  0.4929123237881619  0.0028109774283012  0.5024678002040994
  0.4926103310921582  0.4961374357097981  0.9954517374018474
  0.4913971316532766  0.4961852694206667  0.5012522560697731
  0.2500000000000000  0.2512251803678600  0.2494305594368633
  0.7500000000000000  0.7491391695563901  0.7675093934182812
  0.7500000000000000  0.7648661415187222  0.2344603705611876
  0.2500000000000000  0.2489850655664825  0.7497967849224367
  0.7500000000000000  0.2557452943657831  0.7410855099243610
  0.2500000000000000  0.7496872999936280  0.2485142409256752
  0.2500000000000000  0.7492909685581854  0.7467196347284240
  0.7500000000000000  0.2319165866717469  0.2459584306732549
  0.2500000000000000  0.2492873563948484  0.9994278039981567
  0.7500000000000000  0.7399392033112857  0.9995672216109825
  0.7500000000000000  0.2522082844439698  0.0066448886717007
  0.2500000000000000  0.7502987618689030  0.9976389191725356
  0.9954448834499725  0.2549767101917630  0.2495933407474124
  0.9949306159073978  0.7487693778674501  0.7424065611192388
  0.9928202865109752  0.7465880295808907  0.2494691806338338
  0.9994750832181516  0.2492868286500581  0.7495183777007095
  0.2500000000000000  0.0001714771094944  0.2482211296296070
  0.7500000000000000  0.9909885271128072  0.7439632013421940
  0.2500000000000000  0.9993157764811014  0.7497788697440906
  0.7500000000000000  0.9963279637067475  0.2633329597181573
  0.2500000000000000  0.2476388252370188  0.4988901841302119
  0.7500000000000000  0.2543091809573786  0.4996075035038072
  0.2500000000000000  0.7506016994228034  0.4981411882053820
  0.5045551165500275  0.2549767101918128  0.2495933407474124
  0.5050693840926022  0.7487693778674288  0.7424065611193169
  0.5071797134890248  0.7465880295809617  0.2494691806339404
  0.5005249167818342  0.2492868286500297  0.7495183777006882
  0.2500000000000000  0.5002224800734860  0.2485681677919649
  0.7500000000000000  0.5005014346861807  0.7467710756636196
  0.2500000000000000  0.4998783514154651  0.7498598764122735
  0.7500000000000000  0.6536147201481166  0.4303218115399590
 
  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
