 Ti Ag P S
   1.0
     8.3685704100000002    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.7829941099999997    0.0000000000000000
     0.0000000000000000    0.0000000000000000   23.7768791800000017
 Ti Ag P S
   8   8   8  44
Direct
   0.2558064700000000  0.9957647100000000  0.4221297200000000
   0.7558064700000000  0.5042352900000000  0.0778702800000000
   0.2441935300000000  0.0042352900000000  0.9221297200000000
   0.7441935300000000  0.4957647100000000  0.5778702800000000
   0.7441935300000000  0.0042352900000000  0.5778702800000000
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   0.1065684200000000  0.7500000000000000  0.6923641100000000
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   0.7426893800000001  0.7500000000000000  0.1570403300000000
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   0.9580326500000000  0.9991795300000000  0.8935200000000000
   0.7590629799999999  0.7500000000000000  0.5136779299999998
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   0.6376160100000000  0.7500000000000000  0.0156864600000000
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   0.2590629800000000  0.7500000000000000  0.9863220700000001