Hii all,
I have made a simulation box using atomsk software for a bcc crystal direction <111> oriented with z axis of simulation box. when I use read_data command it shows the following error.Input script and data file is attached. Can someone tell what is the problem. Also, when I use the same script without reading external data file and defining my simulation box using lattice and region command. The error doesn’t appear. I could not figure out the issue.
Output :
LAMMPS (11 Aug 2017)
Reading data file …
orthogonal box = (0 0 0) to (14.0177 24.2793 8.58404)
1 by 1 by 1 MPI processor grid
reading atoms …
162 atoms
ERROR: Incorrect args for pair coefficients (…/pair_eam_alloy.cpp:52)
Last command: pair_coeff * * Ta.eam.alloy Ta Ta
Ta-111.lmp (11 KB)
Ta.eam.alloy (355 KB)