Ba   Ti   O    H                        
   1.00000000000000     
     7.9687493253183197    0.0000000000000000    0.0000000000000000
     0.0000000000000000    8.0285168257011463    0.0015809925932994
     0.0000000000000000    0.0015126336942781    8.0285186526416599
   Ba   Ti   O    H 
     8     8    22     1
Direct
  0.0070864448041398  0.0050695927035880  0.9953493011518735
  0.0076166380345411  0.0042534604817020  0.5034589840743570
  0.4929135551959106  0.0050695927035809  0.9953493011518735
  0.0076166003743949  0.4969599839020858  0.9961654538617711
  0.0100442029887526  0.4973046260396616  0.5031142423840841
  0.4923833619654231  0.0042534604816807  0.5034589840743356
  0.4923833996256481  0.4969599839021569  0.9961654538616077
  0.4899557970112400  0.4973046260396901  0.5031142423840130
  0.2500000000000000  0.2525229527958787  0.2501431833378128
  0.7500000000000000  0.7517638449118561  0.7689083930233296
  0.7500000000000000  0.7657324906770295  0.2346863995484083
  0.2500000000000000  0.2495842954075232  0.7508347226078519
  0.7500000000000000  0.2578628661338943  0.7425560364403474
  0.2500000000000000  0.7510197860844184  0.2493993763815805
  0.2500000000000000  0.7502756100642601  0.7478955020159798
  0.7500000000000000  0.2315104727656265  0.2486551264527033
  0.2500000000000000  0.2498886273760208  0.0002525927160118
  0.7500000000000000  0.7381340295492633  0.0017596481227346
  0.7500000000000000  0.2543409274470471  0.0080650879668465
  0.2500000000000000  0.7513667657562095  0.9987747960735087
  0.9949047171195688  0.2568450845366404  0.2505336058505486
  0.9949046782340566  0.7498854043966023  0.7435736446398442
  0.9928834288597398  0.7491265696525702  0.2512922086081805
  0.9994591966887710  0.2501529256389194  0.7502660627828369
  0.2500000000000000  0.0016437668411540  0.2490520790382669
  0.7500000000000000  0.9923540424263547  0.7460779295491728
  0.2500000000000000  0.0001664996037454  0.7505304208285244
  0.7500000000000000  0.9986592021617035  0.2622853243421198
  0.2500000000000000  0.2487486088870457  0.4996690709240735
  0.7500000000000000  0.2543083064093126  0.4995173207639229
  0.2500000000000000  0.7513657355754509  0.4991460820571291
  0.5050952828804312  0.2568450845366901  0.2505336058505486
  0.5050953217659434  0.7498854043965810  0.7435736446399224
  0.5071165711402602  0.7491265696526412  0.2512922086082871
  0.5005408033112148  0.2501529256388910  0.7502660627828156
  0.2500000000000000  0.5012726882978746  0.2490531830403124
  0.7500000000000000  0.5009016942598253  0.7461107478397249
  0.2500000000000000  0.5007501138217388  0.7516702679698516
  0.7500000000000000  0.6097936023425096  0.3906250402196163
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
