Ba   Ti   O    H                        
   1.00000000000000     
     7.9588898877205247    0.0000000000000000    0.0000000000000000
     0.0000000000000000    8.0133598205133065    0.0030370115998976
     0.0000000000000000    0.0029673569329067    8.0193387884719805
   Ba   Ti   O    H 
     8     8    22     1
Direct
  0.0066439357735874  0.0070165379182830  0.9982890546719688
  0.0069796428434974  0.0061034183679789  0.5051717488332991
  0.4933560642264626  0.0070165379182758  0.9982890546719675
  0.0060452239823007  0.4989834453418951  0.9997135760478502
  0.0062219210359699  0.5001762003472259  0.5044464752301797
  0.4930203571564671  0.0061034183679575  0.5051717488332778
  0.4939547760177409  0.4989834453419661  0.9997135760476867
  0.4937780789640233  0.5001762003472543  0.5044464752301087
  0.2500000000000000  0.2545653813039110  0.2521618295668903
  0.7500000000000000  0.7551090969165855  0.7695791652796223
  0.7500000000000000  0.7659629740397041  0.2368808672842654
  0.2500000000000000  0.2521529995475361  0.7523217841828719
  0.7500000000000000  0.2591743950643571  0.7470026157394533
  0.2500000000000000  0.7525773770079258  0.2525626592898196
  0.2500000000000000  0.7517379366781215  0.7502635162097435
  0.7500000000000000  0.2371348883103442  0.2526894473384134
  0.2500000000000000  0.2517916387707920  0.0021459018609812
  0.7500000000000000  0.7394737059405855  0.0049368843381811
  0.7500000000000000  0.2572207456610988  0.0093481195620910
  0.2500000000000000  0.7529553433490721  0.0018768208910652
  0.9957170399539430  0.2579760630422219  0.2526887877067326
  0.9954941205506602  0.7517083019936148  0.7467101032866966
  0.9922842538751195  0.7512975560497941  0.2570514913143803
  0.9994837008280671  0.2519739977405508  0.7522216652031045
  0.2500000000000000  0.0032013436745807  0.2515300455353746
  0.7500000000000000  0.9952871398150280  0.7492470232158454
  0.2500000000000000  0.0019335739412137  0.7519728106457991
  0.7500000000000000  0.0014683048239676  0.2594465077153544
  0.2500000000000000  0.2522990130605281  0.5016403712048987
  0.7500000000000000  0.2537038284608116  0.5008965203761140
  0.2500000000000000  0.7524261488101175  0.5016040788100899
  0.5042829600460570  0.2579760630422716  0.2526887877067326
  0.5045058794493398  0.7517083019935935  0.7467101032867748
  0.5077157461248805  0.7512975560498654  0.2570514913144869
  0.5005162991719186  0.2519739977405224  0.7522216652030832
  0.2500000000000000  0.5033156795189070  0.2511239424051742
  0.7500000000000000  0.5023291954242785  0.7463975896866355
  0.2500000000000000  0.5024833184910297  0.7531812523648556
  0.7500000000000000  0.5343871540856624  0.3017797798748645
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
