Urgent Help!

Hola Amigos!
ERROR: Incorrect atom format in data file (…/atom.cpp:840)
I’m getting the above error for my data file, which is as follows…

Graphene cell with dimension 10 x 10 x 1 and a = 2.522

200 atoms
1 atom types
0. 25.22000000000000 xlo xhi
0. 21.84116068344354 ylo yhi
-10. 10.00000000000000 zlo zhi
Atoms

1 1 0.00000000000000 0.00000000000000 0.00000000000000
2 1 1.26100000000000 0.72803868944812 0.00000000000000
3 1 2.52200000000000 0.00000000000000 0.00000000000000
4 1 3.78300000000000 0.72803868944812 0.00000000000000

I have checked with the other data files and it has been scripted in the same manner.
Please suggest any solution.
Thanks in advance.

Suraj

Hola Amigos!
ERROR: Incorrect atom format in data file (…/atom.cpp:840)
I’m getting the above error for my data file, which is as follows…

Graphene cell with dimension 10 x 10 x 1 and a = 2.522

200 atoms
1 atom types
0. 25.22000000000000 xlo xhi
0. 21.84116068344354 ylo yhi
-10. 10.00000000000000 zlo zhi
Atoms

1 1 0.00000000000000 0.00000000000000 0.00000000000000
2 1 1.26100000000000 0.72803868944812 0.00000000000000
3 1 2.52200000000000 0.00000000000000 0.00000000000000
4 1 3.78300000000000 0.72803868944812 0.00000000000000

I have checked with the other data files and it has been scripted in the same manner.
Please suggest any solution.

don’t compare with other files, compare with the LAMMPS manual. in particular the documentation of the read_data command. it describes at great length and in painstaking detail all that one needs to know about the data file format.

axel.

Hi Suraj,

just add rows after the -10.0 10.0 zlo zhi
Masses

1 12.01

Justo