No title 1 13.835340 0.000000 0.000000 0.000000 13.835340 0.000000 0.000000 0.000000 24.767960 Ti O Si N C H 72 145 1 1 5 16 Direct configuration= 1 0.00323046 0.16613254 0.58921752 0.17070934 0.33243818 0.27170860 0.00590018 0.16389966 0.45882202 0.17070934 0.33243818 0.39049069 0.00404267 0.16577151 0.33109965 0.17395430 0.33087512 0.50622096 0.00404267 0.16577151 0.21231756 0.17127757 0.33244001 0.62208501 0.00466158 0.49800516 0.58834910 0.17070934 0.66577151 0.27170860 0.00656868 0.49682111 0.45883708 0.17070934 0.66577151 0.39049069 0.00404267 0.49910485 0.33109965 0.17304112 0.66322193 0.50626210 0.00404267 0.49910485 0.21231756 0.17047466 0.66576251 0.62218152 0.00363763 0.83215479 0.58879466 0.17070934 0.99910485 0.27170860 0.00584538 0.83010150 0.45900511 0.17070934 0.99910485 0.39049069 0.00404267 0.83243818 0.33109965 0.17153196 0.99797935 0.50597724 0.00404267 0.83243818 0.21231756 0.16958405 0.99987813 0.62211996 0.33710226 0.16543950 0.58857806 0.50404267 0.33243818 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