Ba   Ti   O    H                        
   1.00000000000000     
     7.9645825937824206    0.0000000000000000    0.0000000000000000
     0.0000000000000000    8.0282871580111053    0.0016752697268675
     0.0000000000000000    0.0016095230401079    8.0221773145080810
   Ba   Ti   O    H 
     8     8    22     1
Direct
  0.0069867136462576  0.0060833426790658  0.9966523670480187
  0.0073949830552744  0.0049561706080558  0.5042700819780213
  0.4930132863537925  0.0060833426790587  0.9966523670480187
  0.0071011265349876  0.4979368753022178  0.9975809143911550
  0.0086357221707767  0.4991453498354977  0.5042271714872262
  0.4926050169446891  0.0049561706080344  0.5042700819779999
  0.4928988734650551  0.4979368753022889  0.9975809143909916
  0.4913642778292161  0.4991453498355262  0.5042271714871551
  0.2500000000000000  0.2536865740627979  0.2511139383916968
  0.7500000000000000  0.7544411451121502  0.7684999929041390
  0.7500000000000000  0.7659591722536592  0.2355356029615491
  0.2500000000000000  0.2506034852690991  0.7514246818902081
  0.7500000000000000  0.2593276421196187  0.7446418015782619
  0.2500000000000000  0.7518950266367320  0.2507098127579393
  0.2500000000000000  0.7509794927767129  0.7491782471357444
  0.7500000000000000  0.2328657547269253  0.2512515443159287
  0.2500000000000000  0.2506269408109782  0.0010907867660393
  0.7500000000000000  0.7370745877874411  0.0040709428552175
  0.7500000000000000  0.2564371334878056  0.0094224121012681
  0.2500000000000000  0.7521875412593756  0.0002278052417632
  0.9949234212986613  0.2580057830829348  0.2516346191874599
  0.9954408790043501  0.7508146859160760  0.7454217354619321
  0.9928230551169073  0.7509328477466812  0.2537915764866911
  0.9994749827099778  0.2508886956228741  0.7511185187041514
  0.2500000000000000  0.0027696907234785  0.2501037526522936
  0.7500000000000000  0.9937559723560430  0.7481912461414012
  0.2500000000000000  0.0009804980985307  0.7511224943258510
  0.7500000000000000  0.0008314741554836  0.2604987804775593
  0.2500000000000000  0.2505343023112556  0.5005273433501507
  0.7500000000000000  0.2536550914734353  0.4999048868445699
  0.2500000000000000  0.7518441861639490  0.5001798581558183
  0.5050765787013387  0.2580057830829846  0.2516346191874599
  0.5045591209956499  0.7508146859160547  0.7454217354620103
  0.5071769448830927  0.7509328477467526  0.2537915764867977
  0.5005250172900080  0.2508886956228457  0.7511185187041300
  0.2500000000000000  0.5022624599131447  0.2498034870945038
  0.7500000000000000  0.5008020222514962  0.7461058930860877
  0.2500000000000000  0.5015170404167631  0.7527711405352018
  0.7500000000000000  0.5705974885456050  0.3474049169143236
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
