vac_1_Ti[0.         0.16666667 0.25     
   1.00000000000000     
    11.3214380000000006    0.0000000000000000    0.0000000000000000
     0.0000000000000000   11.3214380000000006    0.0000000000000000
     0.0000000000000000    0.0000000000000000    9.5793049999999997
   Ti   O 
    35    72
Direct
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