Reading data file

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1

Dear users,

I am trying to read the below file containing the coordinates of atoms (bond & sphere).

5 atoms
1 atom types
1 extra bond per atom
-27.0413877048 77.0413877048 xlo xhi
-27.0413877048 77.0413877048 ylo yhi
-27.0413877048 77.0413877048 zlo zhi

Atoms

1 1 1 16.000000 17.000000 18.000000 0.005 0.01
2 1 1 16.000000 18.000000 18.000000 0.005 0.01
3 1 1 16.000000 18.000000 19.000000 0.005 0.01
4 1 1 16.000000 19.000000 18.000000 0.005 0.01
5 1 1 16.000000 19.000000 19.000000 0.005 0.01

When I try to read the above file, LAMMPS me ‘ERROR on proc 0: Non-numeric atom coords - simulation unstable’ error. Can you please let me know how to resolve it?

Thank You,
Dushyant Sahoo

2

Non-numeric atom coords is something you end up with during a run if you have bad dynamics. Therefore, there must be something going wrong in your simulation. Does it occur immediately or after a while? Posting your complete input deck would be helpful.