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 0.00134493 0.16437789 0.59126234 0.16806250 0.33109545 0.27363425 0.00186742 0.16390635 0.46080068 0.16806250 0.33109545 0.39241634 0.00139583 0.16442878 0.33302530 0.16985664 0.33091248 0.50815312 0.00139583 0.16442878 0.21424321 0.16889301 0.33139694 0.62395998 0.00251759 0.49615550 0.58985715 0.16806250 0.66442878 0.27363425 0.00227640 0.49711543 0.46072380 0.16806250 0.66442878 0.39241634 0.00139583 0.49776212 0.33302530 0.16856658 0.66360031 0.50817959 0.00139583 0.49776212 0.21424321 0.16777192 0.66442838 0.62398342 0.00032386 0.83037574 0.59110407 0.16806250 0.99776212 0.27363425 0.00149657 0.83029624 0.46108963 0.16806250 0.99776212 0.39241634 0.00139583 0.83109545 0.33302530 0.16742469 0.99787013 0.50798387 0.00139583 0.83109545 0.21424321 0.16717769 0.99779401 0.62409797 0.33419015 0.16410696 0.59072301 0.50139583 0.33109545 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