Hi everybody, i am trying to simulate InPb material using KIM potentials, but i got error. Bellow is the error.
"ERROR: Species ‘In’ is not supported by this KIM Simulator Model (src/KIM/kim_interactions.cpp:168)
Last command: kim interactions Pb In "
and this is the contains of the input :
######### unit cell parameters for GRAPHYNE ##############
variable a equal 3.4280476570
variable b equal 5.9375534058
variable c equal 17.1783752441
#variable c equal 100.0/${a}
#what size do you want the graphene? assuming square sheet
################### Initialize Simulation #########################
clear
#units metal
dimension 3
boundary p p p
atom_style atomic #charge
#atom_modify map array
kim init Sim_LAMMPS_Vashishta_BranicioRinoGan_2009_InP__SM_090647175366_000 metal
kim init Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 metal unit_conversion_mode
#kim init Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004 metal
#################### Definition of the system #######################
#----- create Graphyne structure using lattice custum command ------#
lattice custom 1 &
a1 {a} 0.0 0.0 &
a2 0.0 {b} 0.0 &
a3 0.0 0.0 ${c} &
basis 0.000000000 0.000000000 0.000000000 &
basis 0.500000000 0.500000000 0.000000000 &
basis 0.500000000 0.833333313 0.333333343 &
basis 0.000000000 0.333333254 0.333333343 &
basis 0.500000000 0.166666672 0.666666687 &
basis 0.000000000 0.666666687 0.666666687 &
basis 0.500000000 0.166666672 0.166666672 &
basis 0.000000000 0.666666687 0.166666672 &
basis 0.000000000 0.000000000 0.500000000 &
basis 0.500000000 0.500000000 0.500000000 &
basis 0.500000000 0.833333313 0.833333313 &
basis 0.000000000 0.333333254 0.833333313
region sim block 0 1 0 1 0 1 units lattice
create_box 2 sim
create_atoms 1 box &
basis 1 2 &
basis 2 2 &
basis 3 2 &
basis 4 2 &
basis 5 2 &
basis 6 2
mass 1 114.818
mass 2 207.200
group In type 1
group Pb type 2
############### Define Interatomic Potential ####################
kim interactions Pb In
################ Define Settings ################################
compute Tp all temp
compute eng all pe/atom
compute eatoms all reduce sum c_eng
################ Run Minimization #################################
reset_timestep 0
fix 1 all box/relax aniso 1.01325 vmax 0.001 #couple xy
thermo 10
thermo_style custom step lx ly lz press c_eatoms etotal pe c_Tp
min_style cg #sd
minimize 1e-25 1e-25 5000 10000
################ Output variable ###################################
variable natoms equal “count(all)”
variable teng equal “c_eatoms”
variable alength equal “lx”
variable blength equal “ly”
variable clength equal “lz”
variable ecoh equal “v_teng/v_natoms”
print “”"
Number of atoms in unit cell = {natoms}
Total energy (eV) = {teng}
Lattice constant a (Angstoms) = {alength}
Lattice constant b (Angstoms) = {blength}
Lattice constant c (Angstoms) = {clength}
Cohesive energy (eV) = {ecoh}
“”" file A_Para.dat
variable extend equal 100
variable xL equal “round(v_extend/v_alength)”
variable yL equal “round(v_extend/v_blength)”
variable zL equal “round(v_extend/v_clength)”
replicate {xL} {yL} ${zL}
variable N_atoms equal “count(all)”
print “”"
Number of atoms in ({xL}x{yL}x1) supercell = ${N_atoms}
“”" append A_Para.dat
write_data OKK.dat
can you please help me to fix this problem? Thanks