Tilt factors in my data file

Hello Everyone,

I have created a data file with X Y Z coordinates

Number atom-type - X Y Z

43993 1129 9 -7.5500000000000000e-01 -5.3949294751597932e+01 -1.3353778062943803e+02 1.6586195662181559e+01

But after simulation its generating extra 3 columns
43993 1129 9 -7.5500000000000000e-01 -5.3949294751597932e+01 -1.3353778062943803e+02 1.6586195662181559e+01 0 0 0

Are they(last three columns, 0 0 0) tilt factors ??

Does anyone have idea about this?

Bevara

Hello Everyone,

I have created a data file with X Y Z coordinates

Number atom-type - X Y Z
43993 1129 9 -7.5500000000000000e-01 -5.3949294751597932e+01
-1.3353778062943803e+02 1.6586195662181559e+01

But after simulation its generating extra 3 columns
43993 1129 9 -7.5500000000000000e-01 -5.3949294751597932e+01
-1.3353778062943803e+02 1.6586195662181559e+01 0 0 0

Are they(last three columns, 0 0 0) tilt factors ??

no. that would not make sense. tilt factor can only apply to the box
not individual atoms.

Does anyone have idea about this?

yes. the description of the data file format in the documentation of
the read_data command tells that those are image flags.

lesson: always check the documentation... :wink:

axel.

Dr. Axel.

I always check with Lammps documentation before sending mail.
I had been checking write_data and atoms commands, since I didn’t know that they are called as image flags.

Sorry for the inconvenience I have caused you.

Thanks,

Bevara