# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi # 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 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan 3.415238071e+06 3.415238071e+06 3.408328806e+06 3.408328806e+06 nan nan 0.70 nan nan nan nan 3.006102079e+06 3.006102079e+06 2.999853740e+06 2.999853740e+06 nan nan 0.72 nan nan nan nan 2.642028842e+06 2.642028842e+06 2.636369193e+06 2.636369193e+06 nan nan 0.74 nan nan nan nan 2.317069744e+06 2.317069744e+06 2.311923570e+06 2.311923570e+06 nan nan 0.76 nan nan nan nan 2.026183440e+06 2.026183440e+06 2.021510281e+06 2.021510281e+06 nan nan 0.78 3.491169851e+06 3.491169851e+06 nan nan 1.765082954e+06 1.765082954e+06 1.760864453e+06 1.760864453e+06 nan nan 0.80 3.124134001e+06 3.124134001e+06 nan nan 1.530138241e+06 1.530138241e+06 1.526348137e+06 1.526348137e+06 nan nan 0.82 2.792674103e+06 2.792674103e+06 nan nan 1.318259846e+06 1.318259846e+06 1.314848406e+06 1.314848406e+06 nan nan 0.84 2.492664846e+06 2.492664846e+06 nan nan 1.126776402e+06 1.126776402e+06 1.123654254e+06 1.123654254e+06 nan nan 0.86 2.220515258e+06 2.220515258e+06 3.329923967e+06 3.329923967e+06 9.533150177e+05 9.533150177e+05 9.504427451e+05 9.504427451e+05 nan nan 0.88 1.973108837e+06 1.973108837e+06 3.005899407e+06 3.005899407e+06 7.958252253e+05 7.958252253e+05 7.932034075e+05 7.932034075e+05 3.245423678e+06 3.245423678e+06 0.90 1.747772285e+06 1.747772285e+06 2.710552188e+06 2.710552188e+06 6.525589459e+05 6.525589459e+05 6.501718378e+05 6.501718378e+05 2.934221545e+06 2.934221545e+06 0.92 1.542176706e+06 1.542176706e+06 2.440884650e+06 2.440884650e+06 5.220056064e+05 5.220056064e+05 5.198231829e+05 5.198231829e+05 2.650028125e+06 2.650028125e+06 0.94 1.354250237e+06 1.354250237e+06 2.194213372e+06 2.194213372e+06 4.029240844e+05 4.029240844e+05 4.009656765e+05 4.009656765e+05 2.390026025e+06 2.390026025e+06 0.96 1.182162383e+06 1.182162383e+06 1.968177003e+06 1.968177003e+06 3.023091268e+05 3.023091268e+05 3.007752736e+05 3.007752736e+05 2.151725596e+06 2.151725596e+06 0.98 1.024306383e+06 1.024306383e+06 1.760670574e+06 1.760670574e+06 2.232231547e+05 2.232231547e+05 2.220986443e+05 2.220986443e+05 1.932945458e+06 1.932945458e+06 1.00 8.792571044e+05 8.792571044e+05 1.569887650e+06 1.569887650e+06 1.651980552e+05 1.651980552e+05 1.643863467e+05 1.643863467e+05 1.731755980e+06 1.731755980e+06 1.02 7.457688947e+05 7.457688947e+05 1.394195015e+06 1.394195015e+06 1.226228394e+05 1.226228394e+05 1.220356262e+05 1.220356262e+05 1.546451172e+06 1.546451172e+06 1.04 6.227675248e+05 6.227675248e+05 1.232156393e+06 1.232156393e+06 9.127104725e+04 9.127104725e+04 9.085084126e+04 9.085084126e+04 1.375534219e+06 1.375534219e+06 1.06 5.092989891e+05 5.092989891e+05 1.082514400e+06 1.082514400e+06 6.811072913e+04 6.811072913e+04 6.781305896e+04 6.781305896e+04 1.217684798e+06 1.217684798e+06 1.08 4.045041052e+05 4.045041052e+05 9.441379843e+05 9.441379843e+05 5.095152777e+04 5.095152777e+04 5.073969020e+04 5.073969020e+04 1.071712876e+06 1.071712876e+06 1.10 3.133048729e+05 3.133048729e+05 8.160486724e+05 8.160486724e+05 3.820378272e+04 3.820378272e+04 3.804896188e+04 3.804896188e+04 9.365518880e+05 9.365518880e+05 1.12 2.393976414e+05 2.393976414e+05 6.973511698e+05 6.973511698e+05 2.870717584e+04 2.870717584e+04 2.859050735e+04 2.859050735e+04 8.112422977e+05 8.112422977e+05 1.14 1.831314140e+05 1.831314140e+05 5.872168595e+05 5.872168595e+05 2.161295003e+04 2.161295003e+04 2.152334428e+04 2.152334428e+04 6.949237762e+05 6.949237762e+05 1.16 1.403860680e+05 1.403860680e+05 4.848796736e+05 4.848796736e+05 1.629863828e+04 1.629863828e+04 1.623002981e+04 1.623002981e+04 5.868301156e+05 5.868301156e+05 1.18 1.078272792e+05 1.078272792e+05 3.897298473e+05 3.897298473e+05 1.230807242e+04 1.230807242e+04 1.225642081e+04 1.225642081e+04 4.862648197e+05 4.862648197e+05 1.20 8.296319983e+04 8.296319983e+04 3.065466267e+05 3.065466267e+05 9.305756754e+03 9.305756754e+03 9.267649008e+03 9.267649008e+03 3.926016669e+05 3.926016669e+05 1.22 6.393289418e+04 6.393289418e+04 2.388676871e+05 2.388676871e+05 7.043387332e+03 7.043387332e+03 7.015732486e+03 7.015732486e+03 3.095597059e+05 3.095597059e+05 1.24 4.933506338e+04 4.933506338e+04 1.864277523e+05 1.864277523e+05 5.335802842e+03 5.335802842e+03 5.316189414e+03 5.316189414e+03 2.421902689e+05 2.421902689e+05 1.26 3.811870599e+04 3.811870599e+04 1.457395164e+05 1.457395164e+05 4.045458678e+03 4.045458678e+03 4.031811838e+03 4.031811838e+03 1.898086821e+05 1.898086821e+05 1.28 2.948726149e+04 2.948726149e+04 1.141092414e+05 1.141092414e+05 3.069367238e+03 3.069367238e+03 3.059931528e+03 3.059931528e+03 1.489959332e+05 1.489959332e+05 1.30 2.283564213e+04 2.283564213e+04 8.947333632e+04 8.947333632e+04 2.330318180e+03 2.330318180e+03 2.323733071e+03 2.323733071e+03 1.171388388e+05 1.171388388e+05 1.32 1.770152579e+04 1.770152579e+04 7.025008115e+04 7.025008115e+04 1.770281620e+03 1.770281620e+03 1.765569811e+03 1.765569811e+03 9.222571772e+04 9.222571772e+04 1.34 1.373322795e+04 1.373322795e+04 5.522256355e+04 5.522256355e+04 1.345538724e+03 1.345538724e+03 1.342102461e+03 1.342102461e+03 7.270771878e+04 7.270771878e+04 1.36 1.066106585e+04 1.066106585e+04 4.345626911e+04 4.345626911e+04 1.023147010e+03 1.023147010e+03 1.020618189e+03 1.020618189e+03 5.738741328e+04 5.738741328e+04 1.38 8.280013289e+03 8.280013289e+03 3.423087857e+04 3.423087857e+04 7.783065170e+02 7.783065170e+02 7.764241537e+02 7.764241537e+02 4.534268543e+04 4.534268543e+04 1.40 6.432949439e+03 6.432949439e+03 2.698790001e+04 2.698790001e+04 5.922457455e+02 5.922457455e+02 5.908466059e+02 5.908466059e+02 3.585890611e+04 3.585890611e+04 1.42 4.998893656e+03 4.998893656e+03 2.129441866e+04 2.129441866e+04 4.508412695e+02 4.508412695e+02 4.497999418e+02 4.497999418e+02 2.838151111e+04 2.838151111e+04 1.44 3.884932659e+03 3.884932659e+03 1.681308651e+04 1.681308651e+04 3.433475953e+02 3.433475953e+02 3.425707333e+02 3.425707333e+02 2.247882651e+04 2.247882651e+04 1.46 3.019226854e+03 3.019226854e+03 1.328134862e+04 1.328134862e+04 2.616172517e+02 2.616172517e+02 2.610409787e+02 2.610409787e+02 1.781423301e+04 1.781423301e+04 1.48 2.346158341e+03 2.346158341e+03 1.049447815e+04 1.049447815e+04 1.994600763e+02 1.994600763e+02 1.990393188e+02 1.990393188e+02 1.412434185e+04 1.412434185e+04 1.50 1.822691279e+03 1.822691279e+03 8.293501136e+03 8.293501136e+03 1.521822755e+02 1.521822755e+02 1.518809465e+02 1.518809465e+02 1.120288064e+04 1.120288064e+04 1.52 1.415481647e+03 1.415481647e+03 6.554392086e+03 6.554392086e+03 1.162231266e+02 1.162231266e+02 1.160124560e+02 1.160124560e+02 8.887846658e+03 8.887846658e+03 1.54 1.098651988e+03 1.098651988e+03 5.179715737e+03 5.179715737e+03 8.887157347e+01 8.887157347e+01 8.872678510e+01 8.872678510e+01 7.052211953e+03 7.052211953e+03 1.56 8.521470567e+02 8.521470567e+02 4.092716748e+03 4.092716748e+03 6.805955492e+01 6.805955492e+01 6.796238091e+01 6.796238091e+01 5.595983967e+03 5.595983967e+03 1.58 6.604126404e+02 6.604126404e+02 3.233063398e+03 3.233063398e+03 5.221847918e+01 5.221847918e+01 5.215205292e+01 5.215205292e+01 4.440227036e+03 4.440227036e+03 1.60 5.112975784e+02 5.112975784e+02 2.553157882e+03 2.553157882e+03 4.015266265e+01 4.015266265e+01 4.010454466e+01 4.010454466e+01 3.522576918e+03 3.522576918e+03 1.62 3.953850145e+02 3.953850145e+02 2.015415027e+03 2.015415027e+03 3.095115217e+01 3.095115217e+01 3.091037305e+01 3.091037305e+01 2.793806663e+03 2.793806663e+03 1.64 3.053241017e+02 3.053241017e+02 1.590050843e+03 1.590050843e+03 2.391915191e+01 2.391915191e+01 2.388035378e+01 2.388035378e+01 2.214814364e+03 2.214814364e+03 1.66 2.354014606e+02 2.354014606e+02 1.253607297e+03 1.253607297e+03 1.853027100e+01 1.853027100e+01 1.849152186e+01 1.849152186e+01 1.754840489e+03 1.754840489e+03 1.68 1.811510114e+02 1.811510114e+02 9.874963565e+02 9.874963565e+02 1.438495847e+01 1.438495847e+01 1.434609533e+01 1.434609533e+01 1.389446810e+03 1.389446810e+03 1.70 1.390952466e+02 1.390952466e+02 7.770443381e+02 7.770443381e+02 1.118066533e+01 1.118066533e+01 1.114226305e+01 1.114226305e+01 1.099228942e+03 1.099228942e+03 1.72 1.065361148e+02 1.065361148e+02 6.107063741e+02 6.107063741e+02 8.688745110e+00 8.688745110e+00 8.651381273e+00 8.651381273e+00 8.688026333e+02 8.688026333e+02 1.74 8.136076221e+01 8.136076221e+01 4.792958865e+02 4.792958865e+02 6.735899583e+00 6.735899583e+00 6.700124754e+00 6.700124754e+00 6.859195094e+02 6.859195094e+02 1.76 6.192187366e+01 6.192187366e+01 3.755547409e+02 3.755547409e+02 5.191615449e+00 5.191615449e+00 5.157809875e+00 5.157809875e+00 5.408556230e+02 5.408556230e+02 1.78 4.693193854e+01 4.693193854e+01 2.937145672e+02 2.937145672e+02 3.957280262e+00 3.957280262e+00 3.925687621e+00 3.925687621e+00 4.258702197e+02 4.258702197e+02 1.80 3.538756908e+01 3.538756908e+01 2.292036766e+02 2.292036766e+02 2.958947068e+00 2.958947068e+00 2.929675158e+00 2.929675158e+00 3.347854878e+02 3.347854878e+02 1.82 2.650938871e+01 2.650938871e+01 1.784142599e+02 1.784142599e+02 2.141311184e+00 2.141311184e+00 2.114281267e+00 2.114281267e+00 2.626868741e+02 2.626868741e+02 1.84 1.969026932e+01 1.969026932e+01 1.384799327e+02 1.384799327e+02 1.462784281e+00 1.462784281e+00 1.437830819e+00 1.437830819e+00 2.056585689e+02 2.056585689e+02 1.86 1.445802042e+01 1.445802042e+01 1.071244590e+02 1.071244590e+02 8.921764337e-01 8.921764337e-01 8.691042488e-01 8.691042488e-01 1.605892879e+02 1.605892879e+02 1.88 1.044605856e+01 1.044605856e+01 8.254128481e+01 8.254128481e+01 4.061530234e-01 4.061530234e-01 3.847654538e-01 3.847654538e-01 1.250037256e+02 1.250037256e+02 1.90 7.370357789e+00 7.370357789e+00 6.329357818e+01 6.329357818e+01 -1.271004678e-02 -1.271004678e-02 -3.258341533e-02 -3.258341533e-02 9.694541955e+01 9.694541955e+01 1.92 5.011345612e+00 5.011345612e+00 4.824636629e+01 4.824636629e+01 -3.774094957e-01 -3.774094957e-01 -3.959152712e-01 -3.959152712e-01 7.485490279e+01 7.485490279e+01 1.94 3.199693057e+00 3.199693057e+00 3.650202872e+01 3.650202872e+01 -6.976232842e-01 -6.976232842e-01 -7.148898614e-01 -7.148898614e-01 5.748875256e+01 5.748875256e+01 1.96 1.805170132e+00 1.805170132e+00 2.734639460e+01 2.734639460e+01 -9.805323208e-01 -9.805323208e-01 -9.966887445e-01 -9.966887445e-01 4.386222131e+01 4.386222131e+01 1.98 7.279138684e-01 7.279138684e-01 2.022332363e+01 2.022332363e+01 -1.231578891e+00 -1.231578891e+00 -1.246741871e+00 -1.246741871e+00 3.319005040e+01 3.319005040e+01 2.00 -1.084135737e-01 -1.084135737e-01 1.469171028e+01 1.469171028e+01 -1.454803446e+00 -1.454803446e+00 -1.469095431e+00 -1.469095431e+00 2.484852803e+01 2.484852803e+01 2.02 -7.618216303e-01 -7.618216303e-01 1.040456039e+01 1.040456039e+01 -1.653317507e+00 -1.653317507e+00 -1.666873173e+00 -1.666873173e+00 1.834215084e+01 1.834215084e+01 2.04 -1.276315484e+00 -1.276315484e+00 7.089497445e+00 7.089497445e+00 -1.829619636e+00 -1.829619636e+00 -1.842562903e+00 -1.842562903e+00 1.327731027e+01 1.327731027e+01 2.06 -1.685142648e+00 -1.685142648e+00 4.531689709e+00 4.531689709e+00 -1.985710012e+00 -1.985710012e+00 -1.998157295e+00 -1.998157295e+00 9.343028521e+00 9.343028521e+00 2.08 -2.013257602e+00 -2.013257602e+00 2.562096179e+00 2.562096179e+00 -2.123233275e+00 -2.123233275e+00 -2.135296094e+00 -2.135296094e+00 6.293305338e+00 6.293305338e+00 2.10 -2.279422997e+00 -2.279422997e+00 1.048054732e+00 1.048054732e+00 -2.243582422e+00 -2.243582422e+00 -2.255340165e+00 -2.255340165e+00 3.933847390e+00 3.933847390e+00 2.12 -2.497690345e+00 -2.497690345e+00 -1.142776360e-01 -1.142776360e-01 -2.347946507e+00 -2.347946507e+00 -2.359459508e+00 -2.359459508e+00 2.111439539e+00 2.111439539e+00 2.14 -2.678531302e+00 -2.678531302e+00 -1.005854439e+00 -1.005854439e+00 -2.437390622e+00 -2.437390622e+00 -2.448720056e+00 -2.448720056e+00 7.058991238e-01 7.058991238e-01 2.16 -2.829713364e+00 -2.829713364e+00 -1.689573347e+00 -1.689573347e+00 -2.512918094e+00 -2.512918094e+00 -2.524067207e+00 -2.524067207e+00 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