 Ba Ca C O
   1.0
     8.6731443099999996    0.0000000000000000    0.0000000000000000
    -4.3365721600000002    7.5111632999999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.0879637899999999
 Ba Ca C O
   3   3   6  18
Direct
   0.0000000000000000  0.6877238999999999  0.0000000000000000
   0.6877238999999999  0.0000000000000000  0.0000000000000000
   0.3122761000000000  0.3122761000000000  0.0000000000000000
   0.3613062300000000  0.0000000000000000  0.5000000000000000
   0.6386937699999999  0.6386937699999999  0.5000000000000000
   0.0000000000000000  0.3613062300000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.6436792900000000
   0.0000000000000000  0.0000000000000000  0.2659242800000000
   0.0000000000000000  0.0000000000000000  0.7340757200000000
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   0.3333333300000000  0.6666666700000000  0.8158375000000000
   0.3333333300000000  0.6666666700000000  0.3563207100000000
   0.0042548600000000  0.1512406700000000  0.7408322000000001
   0.9957451400000000  0.1469858100000000  0.2591678000000000
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   0.1512406700000000  0.0042548600000000  0.2591678000000000
   0.8110335100000000  0.4873845200000000  0.6396987500000000
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   0.3461268700000000  0.8222106300000001  0.8187955700000000
   0.1777893700000000  0.5239162500000000  0.8187955700000000
   0.1469858100000000  0.9957451400000000  0.7408322000000001
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   0.5239162500000000  0.1777893700000000  0.1812044300000000
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