# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCu2Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 3.744431632e+02 3.744431632e+02 1.00 3.419095623e+02 3.419095623e+02 1.02 3.124008379e+02 3.124008379e+02 1.04 2.856094526e+02 2.856094526e+02 1.06 2.612564411e+02 2.612564411e+02 1.08 2.391082933e+02 2.391082933e+02 1.10 2.189477682e+02 2.189477682e+02 1.12 2.005829321e+02 2.005829321e+02 1.14 1.838398373e+02 1.838398373e+02 1.16 1.685662846e+02 1.685662846e+02 1.18 1.546248971e+02 1.546248971e+02 1.20 1.418927225e+02 1.418927225e+02 1.22 1.302554527e+02 1.302554527e+02 1.24 1.196168562e+02 1.196168562e+02 1.26 1.098841290e+02 1.098841290e+02 1.28 1.009748074e+02 1.009748074e+02 1.30 9.281337591e+01 9.281337591e+01 1.32 8.533062443e+01 8.533062443e+01 1.34 7.846722900e+01 7.846722900e+01 1.36 7.216815654e+01 7.216815654e+01 1.38 6.638225539e+01 6.638225539e+01 1.40 6.106700649e+01 6.106700649e+01 1.42 5.617922115e+01 5.617922115e+01 1.44 5.168051926e+01 5.168051926e+01 1.46 4.753666112e+01 4.753666112e+01 1.48 4.371856395e+01 4.371856395e+01 1.50 4.020001123e+01 4.020001123e+01 1.52 3.695570393e+01 3.695570393e+01 1.54 3.396192230e+01 3.396192230e+01 1.56 3.119885891e+01 3.119885891e+01 1.58 2.864749140e+01 2.864749140e+01 1.60 2.629054012e+01 2.629054012e+01 1.62 2.411081376e+01 2.411081376e+01 1.64 2.209531778e+01 2.209531778e+01 1.66 2.023057586e+01 2.023057586e+01 1.68 1.850493514e+01 1.850493514e+01 1.70 1.690820286e+01 1.690820286e+01 1.72 1.542974228e+01 1.542974228e+01 1.74 1.404497288e+01 1.404497288e+01 1.76 1.277043655e+01 1.277043655e+01 1.78 1.157922379e+01 1.157922379e+01 1.80 1.046790144e+01 1.046790144e+01 1.82 9.431990759e+00 9.431990759e+00 1.84 8.433214794e+00 8.433214794e+00 1.86 7.513796655e+00 7.513796655e+00 1.88 6.643212735e+00 6.643212735e+00 1.90 5.819596373e+00 5.819596373e+00 1.92 5.040733815e+00 5.040733815e+00 1.94 4.304124074e+00 4.304124074e+00 1.96 3.610497214e+00 3.610497214e+00 1.98 2.957851894e+00 2.957851894e+00 2.00 2.345090060e+00 2.345090060e+00 2.02 1.771126703e+00 1.771126703e+00 2.04 1.234875286e+00 1.234875286e+00 2.06 7.348986516e-01 7.348986516e-01 2.08 2.694774812e-01 2.694774812e-01 2.10 -1.628954575e-01 -1.628954575e-01 2.12 -5.634330867e-01 -5.634330867e-01 2.14 -9.335088597e-01 -9.335088597e-01 2.16 -1.274884285e+00 -1.274884285e+00 2.18 -1.588607773e+00 -1.588607773e+00 2.20 -1.875889781e+00 -1.875889781e+00 2.22 -2.138157041e+00 -2.138157041e+00 2.24 -2.376415282e+00 -2.376415282e+00 2.26 -2.590898312e+00 -2.590898312e+00 2.28 -2.784257942e+00 -2.784257942e+00 2.30 -2.957678441e+00 -2.957678441e+00 2.32 -3.112127578e+00 -3.112127578e+00 2.34 -3.248765299e+00 -3.248765299e+00 2.36 -3.368823704e+00 -3.368823704e+00 2.38 -3.473345271e+00 -3.473345271e+00 2.40 -3.563333276e+00 -3.563333276e+00 2.42 -3.639882395e+00 -3.639882395e+00 2.44 -3.703803955e+00 -3.703803955e+00 2.46 -3.755967460e+00 -3.755967460e+00 2.48 -3.796811817e+00 -3.796811817e+00 2.50 -3.827700643e+00 -3.827700643e+00 2.52 -3.849531135e+00 -3.849531135e+00 2.54 -3.862860135e+00 -3.862860135e+00 2.56 -3.868213709e+00 -3.868213709e+00 2.58 -3.866201550e+00 -3.866201550e+00 2.60 -3.858598677e+00 -3.858598677e+00 2.62 -3.845153101e+00 -3.845153101e+00 2.64 -3.826043102e+00 -3.826043102e+00 2.66 -3.801771188e+00 -3.801771188e+00 2.68 -3.772808607e+00 -3.772808607e+00 2.70 -3.739596759e+00 -3.739596759e+00 2.72 -3.702548515e+00 -3.702548515e+00 2.74 -3.661999308e+00 -3.661999308e+00 2.76 -3.617932625e+00 -3.617932625e+00 2.78 -3.571160469e+00 -3.571160469e+00 2.80 -3.522006467e+00 -3.522006467e+00 2.82 -3.470419375e+00 -3.470419375e+00 2.84 -3.415636376e+00 -3.415636376e+00 2.86 -3.359360416e+00 -3.359360416e+00 2.88 -3.301773629e+00 -3.301773629e+00 2.90 -3.243096474e+00 -3.243096474e+00 2.92 -3.183652340e+00 -3.183652340e+00 2.94 -3.123469623e+00 -3.123469623e+00 2.96 -3.062999416e+00 -3.062999416e+00 2.98 -3.002055053e+00 -3.002055053e+00 3.00 -2.940588164e+00 -2.940588164e+00 3.02 -2.878895348e+00 -2.878895348e+00 3.04 -2.817528954e+00 -2.817528954e+00 3.06 -2.756702376e+00 -2.756702376e+00 3.08 -2.695992446e+00 -2.695992446e+00 3.10 -2.635498378e+00 -2.635498378e+00 3.12 -2.575303779e+00 -2.575303779e+00 3.14 -2.515484652e+00 -2.515484652e+00 3.16 -2.456109925e+00 -2.456109925e+00 3.18 -2.397241944e+00 -2.397241944e+00 3.20 -2.338936939e+00 -2.338936939e+00 3.22 -2.281245465e+00 -2.281245465e+00 3.24 -2.224212878e+00 -2.224212878e+00 3.26 -2.167879579e+00 -2.167879579e+00 3.28 -2.112281417e+00 -2.112281417e+00 3.30 -2.057450099e+00 -2.057450099e+00 3.32 -2.003413336e+00 -2.003413336e+00 3.34 -1.950191435e+00 -1.950191435e+00 3.36 -1.897823234e+00 -1.897823234e+00 3.38 -1.846307568e+00 -1.846307568e+00 3.40 -1.795618069e+00 -1.795618069e+00 3.42 -1.745887486e+00 -1.745887486e+00 3.44 -1.696735603e+00 -1.696735603e+00 3.46 -1.648176033e+00 -1.648176033e+00 3.48 -1.600487646e+00 -1.600487646e+00 3.50 -1.553778005e+00 -1.553778005e+00 3.52 -1.508005298e+00 -1.508005298e+00 3.54 -1.463153398e+00 -1.463153398e+00 3.56 -1.419221243e+00 -1.419221243e+00 3.58 -1.376211899e+00 -1.376211899e+00 3.60 -1.334125899e+00 -1.334125899e+00 3.62 -1.292958133e+00 -1.292958133e+00 3.64 -1.252688465e+00 -1.252688465e+00 3.66 -1.213292703e+00 -1.213292703e+00 3.68 -1.174751835e+00 -1.174751835e+00 3.70 -1.137062188e+00 -1.137062188e+00 3.72 -1.100224346e+00 -1.100224346e+00 3.74 -1.064235627e+00 -1.064235627e+00 3.76 -1.029097463e+00 -1.029097463e+00 3.78 -9.947975164e-01 -9.947975164e-01 3.80 -9.613154337e-01 -9.613154337e-01 3.82 -9.286373685e-01 -9.286373685e-01 3.84 -8.967555026e-01 -8.967555026e-01 3.86 -8.656760896e-01 -8.656760896e-01 3.88 -8.353630459e-01 -8.353630459e-01 3.90 -8.057132613e-01 -8.057132613e-01 3.92 -7.767393758e-01 -7.767393758e-01 3.94 -7.484441126e-01 -7.484441126e-01 3.96 -7.209191613e-01 -7.209191613e-01 3.98 -6.942421669e-01 -6.942421669e-01 4.00 -6.684688054e-01 -6.684688054e-01 4.02 -6.436626288e-01 -6.436626288e-01 4.04 -6.199537759e-01 -6.199537759e-01 4.06 -5.971740146e-01 -5.971740146e-01 4.08 -5.751867710e-01 -5.751867710e-01 4.10 -5.537453992e-01 -5.537453992e-01 4.12 -5.326312032e-01 -5.326312032e-01 4.14 -5.116913911e-01 -5.116913911e-01 4.16 -4.908848681e-01 -4.908848681e-01 4.18 -4.705370515e-01 -4.705370515e-01 4.20 -4.501720463e-01 -4.501720463e-01 4.22 -4.297917045e-01 -4.297917045e-01 4.24 -4.093997190e-01 -4.093997190e-01 4.26 -3.889504567e-01 -3.889504567e-01 4.28 -3.684754048e-01 -3.684754048e-01 4.30 -3.490486758e-01 -3.490486758e-01 4.32 -3.302425396e-01 -3.302425396e-01 4.34 -3.117636725e-01 -3.117636725e-01 4.36 -2.937206481e-01 -2.937206481e-01 4.38 -2.761888552e-01 -2.761888552e-01 4.40 -2.592238002e-01 -2.592238002e-01 4.42 -2.428645779e-01 -2.428645779e-01 4.44 -2.271367897e-01 -2.271367897e-01 4.46 -2.120550093e-01 -2.120550093e-01 4.48 -1.976248728e-01 -1.976248728e-01 4.50 -1.838448207e-01 -1.838448207e-01 4.52 -1.707075682e-01 -1.707075682e-01 4.54 -1.582013340e-01 -1.582013340e-01 4.56 -1.463108682e-01 -1.463108682e-01 4.58 -1.350183042e-01 -1.350183042e-01 4.60 -1.243038593e-01 -1.243038593e-01 4.62 -1.141464174e-01 -1.141464174e-01 4.64 -1.045240034e-01 -1.045240034e-01 4.66 -9.541417274e-02 -9.541417274e-02 4.68 -8.679432137e-02 -8.679432137e-02 4.70 -7.864193595e-02 -7.864193595e-02 4.72 -7.093479101e-02 -7.093479101e-02 4.74 -6.365110294e-02 -6.365110294e-02 4.76 -5.676965114e-02 -5.676965114e-02 4.78 -5.027221386e-02 -5.027221386e-02 4.80 -4.413605219e-02 -4.413605219e-02 4.82 -3.905739040e-02 -3.905739040e-02 4.84 -3.432363767e-02 -3.432363767e-02 4.86 -2.984841373e-02 -2.984841373e-02 4.88 -2.561809954e-02 -2.561809954e-02 4.90 -2.161965780e-02 -2.161965780e-02 4.92 -1.783990370e-02 -1.783990370e-02 4.94 -1.417628061e-02 -1.417628061e-02 4.96 -1.202108693e-02 -1.202108693e-02 4.98 -1.125950013e-02 -1.125950013e-02 5.00 -1.045691859e-02 -1.045691859e-02 5.02 -9.699980134e-03 -9.699980134e-03 5.04 -8.986793397e-03 -8.986793397e-03 5.06 -8.314915677e-03 -8.314915677e-03 5.08 -7.682034838e-03 -7.682034838e-03 5.10 -7.085962857e-03 -7.085962857e-03 5.12 -6.524629664e-03 -6.524629664e-03 5.14 -5.996077151e-03 -5.996077151e-03 5.16 -5.498453433e-03 -5.498453433e-03 5.18 -5.030007386e-03 -5.030007386e-03 5.20 -4.589083459e-03 -4.589083459e-03 5.22 -4.174116730e-03 -4.174116730e-03 5.24 -3.783628127e-03 -3.783628127e-03 5.26 -3.416219902e-03 -3.416219902e-03 5.28 -3.070571347e-03 -3.070571347e-03 5.30 -2.745434740e-03 -2.745434740e-03 5.32 -2.439631469e-03 -2.439631469e-03 5.34 -2.152048315e-03 -2.152048315e-03 5.36 -1.881633959e-03 -1.881633959e-03 5.38 -1.627395672e-03 -1.627395672e-03 5.40 -1.388396189e-03 -1.388396189e-03 5.42 -1.163750705e-03 -1.163750705e-03 5.44 -9.526240284e-04 -9.526240284e-04 5.46 -7.542279037e-04 -7.542279037e-04 5.48 -5.678184743e-04 -5.678184743e-04 5.50 -3.926938855e-04 -3.926938855e-04 5.52 -2.281919757e-04 -2.281919757e-04 5.54 -7.269631110e-05 -7.269631110e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00