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Thanks vgersh99 !!!

The S[i] = int($3) command worked a charm!

the output is perfect...

36
-572.44987938
Pd -0.212918 0.004511 0.022713
P -0.152320 -2.360683 0.037839
P ...

Thanks,
Unfortunately, if i printf at this stage it will go straight to output and I need all the data in a specific format, not just that one column.

Remember also that this integer will...

Hi,
I am trying to write a script to extract multiple sets of data from a chemistry output file. The problem section is in the following format...

Geometry "geometry" -> "geometry"
1 Pd ...