# 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 = AgNiPd2 # 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 6.438166554e+02 6.438166554e+02 1.00 5.879360677e+02 5.879360677e+02 1.02 5.375324202e+02 5.375324202e+02 1.04 4.920185518e+02 4.920185518e+02 1.06 4.508738392e+02 4.508738392e+02 1.08 4.136295219e+02 4.136295219e+02 1.10 3.798786362e+02 3.798786362e+02 1.12 3.492524396e+02 3.492524396e+02 1.14 3.214233018e+02 3.214233018e+02 1.16 2.961049597e+02 2.961049597e+02 1.18 2.730392811e+02 2.730392811e+02 1.20 2.519961601e+02 2.519961601e+02 1.22 2.327685640e+02 2.327685640e+02 1.24 2.151796058e+02 2.151796058e+02 1.26 1.990666276e+02 1.990666276e+02 1.28 1.842848953e+02 1.842848953e+02 1.30 1.707035028e+02 1.707035028e+02 1.32 1.582096169e+02 1.582096169e+02 1.34 1.467011587e+02 1.467011587e+02 1.36 1.360875635e+02 1.360875635e+02 1.38 1.262871054e+02 1.262871054e+02 1.40 1.172254643e+02 1.172254643e+02 1.42 1.088365135e+02 1.088365135e+02 1.44 1.010635387e+02 1.010635387e+02 1.46 9.385361505e+01 9.385361505e+01 1.48 8.715906074e+01 8.715906074e+01 1.50 8.093753179e+01 8.093753179e+01 1.52 7.515095430e+01 7.515095430e+01 1.54 6.976443990e+01 6.976443990e+01 1.56 6.474560047e+01 6.474560047e+01 1.58 6.006596410e+01 6.006596410e+01 1.60 5.570161133e+01 5.570161133e+01 1.62 5.162895677e+01 5.162895677e+01 1.64 4.782667789e+01 4.782667789e+01 1.66 4.427536527e+01 4.427536527e+01 1.68 4.095722901e+01 4.095722901e+01 1.70 3.785579785e+01 3.785579785e+01 1.72 3.495533940e+01 3.495533940e+01 1.74 3.224320346e+01 3.224320346e+01 1.76 2.970669176e+01 2.970669176e+01 1.78 2.733295515e+01 2.733295515e+01 1.80 2.511193879e+01 2.511193879e+01 1.82 2.301815154e+01 2.301815154e+01 1.84 2.105106067e+01 2.105106067e+01 1.86 1.921660800e+01 1.921660800e+01 1.88 1.748716956e+01 1.748716956e+01 1.90 1.585905270e+01 1.585905270e+01 1.92 1.432795698e+01 1.432795698e+01 1.94 1.288957265e+01 1.288957265e+01 1.96 1.153972892e+01 1.153972892e+01 1.98 1.027426915e+01 1.027426915e+01 2.00 9.089388258e+00 9.089388258e+00 2.02 7.981284598e+00 7.981284598e+00 2.04 6.946261996e+00 6.946261996e+00 2.06 5.980676474e+00 5.980676474e+00 2.08 5.080993644e+00 5.080993644e+00 2.10 4.244360623e+00 4.244360623e+00 2.12 3.466712268e+00 3.466712268e+00 2.14 2.745228732e+00 2.745228732e+00 2.16 2.077168246e+00 2.077168246e+00 2.18 1.459696520e+00 1.459696520e+00 2.20 8.901233478e-01 8.901233478e-01 2.22 3.657919244e-01 3.657919244e-01 2.24 -1.157986887e-01 -1.157986887e-01 2.26 -5.570506501e-01 -5.570506501e-01 2.28 -9.601946920e-01 -9.601946920e-01 2.30 -1.327537254e+00 -1.327537254e+00 2.32 -1.661276488e+00 -1.661276488e+00 2.34 -1.963158954e+00 -1.963158954e+00 2.36 -2.235260438e+00 -2.235260438e+00 2.38 -2.479492438e+00 -2.479492438e+00 2.40 -2.697476493e+00 -2.697476493e+00 2.42 -2.890731772e+00 -2.890731772e+00 2.44 -3.061121316e+00 -3.061121316e+00 2.46 -3.210173907e+00 -3.210173907e+00 2.48 -3.339350359e+00 -3.339350359e+00 2.50 -3.450041435e+00 -3.450041435e+00 2.52 -3.543887236e+00 -3.543887236e+00 2.54 -3.621999144e+00 -3.621999144e+00 2.56 -3.685383318e+00 -3.685383318e+00 2.58 -3.735168212e+00 -3.735168212e+00 2.60 -3.772441429e+00 -3.772441429e+00 2.62 -3.798209986e+00 -3.798209986e+00 2.64 -3.813424799e+00 -3.813424799e+00 2.66 -3.818964280e+00 -3.818964280e+00 2.68 -3.815478835e+00 -3.815478835e+00 2.70 -3.803988170e+00 -3.803988170e+00 2.72 -3.785177817e+00 -3.785177817e+00 2.74 -3.759358871e+00 -3.759358871e+00 2.76 -3.727666336e+00 -3.727666336e+00 2.78 -3.691193014e+00 -3.691193014e+00 2.80 -3.650292089e+00 -3.650292089e+00 2.82 -3.605164064e+00 -3.605164064e+00 2.84 -3.556302797e+00 -3.556302797e+00 2.86 -3.504167300e+00 -3.504167300e+00 2.88 -3.449182590e+00 -3.449182590e+00 2.90 -3.391754233e+00 -3.391754233e+00 2.92 -3.332370887e+00 -3.332370887e+00 2.94 -3.271225341e+00 -3.271225341e+00 2.96 -3.208916790e+00 -3.208916790e+00 2.98 -3.145404484e+00 -3.145404484e+00 3.00 -3.081043780e+00 -3.081043780e+00 3.02 -3.014630409e+00 -3.014630409e+00 3.04 -2.947350661e+00 -2.947350661e+00 3.06 -2.879892276e+00 -2.879892276e+00 3.08 -2.812420211e+00 -2.812420211e+00 3.10 -2.745091997e+00 -2.745091997e+00 3.12 -2.678047580e+00 -2.678047580e+00 3.14 -2.611412209e+00 -2.611412209e+00 3.16 -2.545297678e+00 -2.545297678e+00 3.18 -2.479803339e+00 -2.479803339e+00 3.20 -2.415017110e+00 -2.415017110e+00 3.22 -2.351016446e+00 -2.351016446e+00 3.24 -2.287857536e+00 -2.287857536e+00 3.26 -2.226207603e+00 -2.226207603e+00 3.28 -2.165691387e+00 -2.165691387e+00 3.30 -2.106142128e+00 -2.106142128e+00 3.32 -2.047597420e+00 -2.047597420e+00 3.34 -1.990089987e+00 -1.990089987e+00 3.36 -1.933644369e+00 -1.933644369e+00 3.38 -1.878284975e+00 -1.878284975e+00 3.40 -1.824060655e+00 -1.824060655e+00 3.42 -1.770994628e+00 -1.770994628e+00 3.44 -1.718927201e+00 -1.718927201e+00 3.46 -1.667891700e+00 -1.667891700e+00 3.48 -1.617985820e+00 -1.617985820e+00 3.50 -1.569239109e+00 -1.569239109e+00 3.52 -1.521618647e+00 -1.521618647e+00 3.54 -1.475112045e+00 -1.475112045e+00 3.56 -1.429719134e+00 -1.429719134e+00 3.58 -1.385348396e+00 -1.385348396e+00 3.60 -1.341905582e+00 -1.341905582e+00 3.62 -1.299379039e+00 -1.299379039e+00 3.64 -1.257859053e+00 -1.257859053e+00 3.66 -1.217420261e+00 -1.217420261e+00 3.68 -1.178079655e+00 -1.178079655e+00 3.70 -1.139802959e+00 -1.139802959e+00 3.72 -1.102559927e+00 -1.102559927e+00 3.74 -1.066319341e+00 -1.066319341e+00 3.76 -1.031052929e+00 -1.031052929e+00 3.78 -9.967453123e-01 -9.967453123e-01 3.80 -9.633826880e-01 -9.633826880e-01 3.82 -9.309413775e-01 -9.309413775e-01 3.84 -8.994001985e-01 -8.994001985e-01 3.86 -8.687061722e-01 -8.687061722e-01 3.88 -8.388477933e-01 -8.388477933e-01 3.90 -8.098480276e-01 -8.098480276e-01 3.92 -7.816543332e-01 -7.816543332e-01 3.94 -7.542045287e-01 -7.542045287e-01 3.96 -7.275081515e-01 -7.275081515e-01 3.98 -7.016473842e-01 -7.016473842e-01 4.00 -6.767283002e-01 -6.767283002e-01 4.02 -6.527277271e-01 -6.527277271e-01 4.04 -6.295958098e-01 -6.295958098e-01 4.06 -6.072951546e-01 -6.072951546e-01 4.08 -5.858772152e-01 -5.858772152e-01 4.10 -5.652833190e-01 -5.652833190e-01 4.12 -5.453655043e-01 -5.453655043e-01 4.14 -5.259156693e-01 -5.259156693e-01 4.16 -5.068246134e-01 -5.068246134e-01 4.18 -4.882772295e-01 -4.882772295e-01 4.20 -4.698727265e-01 -4.698727265e-01 4.22 -4.515442420e-01 -4.515442420e-01 4.24 -4.332966553e-01 -4.332966553e-01 4.26 -4.151570344e-01 -4.151570344e-01 4.28 -3.971535328e-01 -3.971535328e-01 4.30 -3.793145959e-01 -3.793145959e-01 4.32 -3.616681656e-01 -3.616681656e-01 4.34 -3.442137785e-01 -3.442137785e-01 4.36 -3.269648111e-01 -3.269648111e-01 4.38 -3.099896203e-01 -3.099896203e-01 4.40 -2.933778851e-01 -2.933778851e-01 4.42 -2.771988499e-01 -2.771988499e-01 4.44 -2.615046576e-01 -2.615046576e-01 4.46 -2.463331959e-01 -2.463331959e-01 4.48 -2.317105242e-01 -2.317105242e-01 4.50 -2.176529354e-01 -2.176529354e-01 4.52 -2.041687059e-01 -2.041687059e-01 4.54 -1.912595804e-01 -1.912595804e-01 4.56 -1.789218871e-01 -1.789218871e-01 4.58 -1.671360444e-01 -1.671360444e-01 4.60 -1.562274169e-01 -1.562274169e-01 4.62 -1.461480182e-01 -1.461480182e-01 4.64 -1.365437072e-01 -1.365437072e-01 4.66 -1.274111196e-01 -1.274111196e-01 4.68 -1.187342476e-01 -1.187342476e-01 4.70 -1.104963223e-01 -1.104963223e-01 4.72 -1.026801438e-01 -1.026801438e-01 4.74 -9.526831408e-02 -9.526831408e-02 4.76 -8.824342590e-02 -8.824342590e-02 4.78 -8.159044828e-02 -8.159044828e-02 4.80 -7.529149971e-02 -7.529149971e-02 4.82 -6.995460237e-02 -6.995460237e-02 4.84 -6.494140974e-02 -6.494140974e-02 4.86 -6.019338019e-02 -6.019338019e-02 4.88 -5.569771638e-02 -5.569771638e-02 4.90 -5.144200503e-02 -5.144200503e-02 4.92 -4.741428108e-02 -4.741428108e-02 4.94 -4.360304013e-02 -4.360304013e-02 4.96 -3.999724421e-02 -3.999724421e-02 4.98 -3.658632257e-02 -3.658632257e-02 5.00 -3.336016826e-02 -3.336016826e-02 5.02 -3.030913203e-02 -3.030913203e-02 5.04 -2.742401336e-02 -2.742401336e-02 5.06 -2.469604851e-02 -2.469604851e-02 5.08 -2.211689804e-02 -2.211689804e-02 5.10 -1.967863300e-02 -1.967863300e-02 5.12 -1.737372041e-02 -1.737372041e-02 5.14 -1.519500814e-02 -1.519500814e-02 5.16 -1.313570928e-02 -1.313570928e-02 5.18 -1.118938679e-02 -1.118938679e-02 5.20 -9.349938081e-03 -9.349938081e-03 5.22 -7.611579984e-03 -7.611579984e-03 5.24 -5.968833507e-03 -5.968833507e-03 5.26 -4.416476308e-03 -4.416476308e-03 5.28 -2.951745439e-03 -2.951745439e-03 5.30 -1.616582387e-03 -1.616582387e-03 5.32 -1.395530646e-03 -1.395530646e-03 5.34 -1.221624799e-03 -1.221624799e-03 5.36 -1.066374764e-03 -1.066374764e-03 5.38 -9.208137505e-04 -9.208137505e-04 5.40 -7.843520724e-04 -7.843520724e-04 5.42 -6.564349463e-04 -6.564349463e-04 5.44 -5.365404779e-04 -5.365404779e-04 5.46 -4.241777712e-04 -4.241777712e-04 5.48 -3.188851498e-04 -3.188851498e-04 5.50 -2.202284776e-04 -2.202284776e-04 5.52 -1.277995505e-04 -1.277995505e-04 5.54 -4.066065268e-05 -4.066065268e-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