ERROR: Number of element to type mappings does not match number of atom types. How to define the hybrid interatomic potential in the lammps?

LAMMPS LAMMPS General Discussion
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1

Hello all !
I have three atoms in my system; two are metals, and one is gas. I defined the atomic potential between them using hydrid/eam potential such as use LJ for gas interaction and eam/alloy for the metal interactions in such a way-
group H type 1
group Zr type 2
group Fe type 3

pair_style hybrid eam/alloy lj/cut 10.0

pair_coeff 1 1 lj/cut 0.010 3.40
pair_coeff 1 2 lj/cut 0.010 3.40
pair_coeff 1 3 lj/cut 0.010 3.40

pair_coeff 3 2 eam/alloy CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr.eam.alloy Fe Zr

But I am facing this error-
ERROR: Number of element to type mappings does not match number of atom types (src/MANYBODY/pair_eam_alloy.cpp:50)
Last command: pair_coeff * * CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr.eam.alloy Zr Fe

Please help me in this.
Thanks.

2

Writing only “Zr Fe” would be correct if you had 2 atom types. Since you have 3 atom types in total, LAMMPS is complaining.

3

Thanks for your response. I have three atoms but the 3rd (H) I am defining using LJ potential, which is not in the current eam file (which I downloaded from the repository). Using this CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr.eam.alloy fle I am only defining Zr and Fe atoms.

I am new at Lammps; how can I correct this error?
Thanks