number of atoms and atom ID in data file

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1

Dear Users,

Because I am analyzing someone’s data file, I am wondering about the relationship between a number of atoms and atom ID in data file.

Is it possible that a number of atoms are 21450 and atom ID of “Atoms” section in a data file is 21616?

For example,

…
21450 atoms
…

Atoms

…
21616 31.9685 51.5885 82.4632 1 0 1

Is this because of 3 flags (nx, ny, nz) if possible?

Thanks.

Changwoon Jang

2

Dear Users,

      Because I am analyzing someone's data file, I am wondering about the
relationship between a number of atoms and atom ID in data file.

atom id is just a label.

Is it possible that a number of atoms are 21450 and atom ID of "Atoms"
section in a data file is 21616?

yes, please see the detailed discussion of the data file format
in the documentation of the read_data command. it also discusses
what restrictions on the atom-ID parameter exist.

http://lammps.sandia.gov/doc/read_data.html

axel.