Error

ERROR on proc 0: Incorrect format in tersoff potential file! 8/17 parameters (../potential_file_reader.cpp:129) Last command: pair_coeff * * MoS.tersoff Mo S

Solution

The problem arises with the format of the potential function file (MoS.tersoff). LAMMPS found the file to be malformed while reading it. In this case, you need to check whether the format and content of the potential function file meet the standards required by LAMMPS.