# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgCuNi2 # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.365128179e+02 1.365128179e+02 1.30 1.255058645e+02 1.255058645e+02 1.32 1.153670373e+02 1.153670373e+02 1.34 1.060201017e+02 1.060201017e+02 1.36 9.739786633e+01 9.739786633e+01 1.38 8.944221621e+01 8.944221621e+01 1.40 8.210203522e+01 8.210203522e+01 1.42 7.533100134e+01 7.533100134e+01 1.44 6.908600883e+01 6.908600883e+01 1.46 6.332613832e+01 6.332613832e+01 1.48 5.801227669e+01 5.801227669e+01 1.50 5.310747992e+01 5.310747992e+01 1.52 4.857775327e+01 4.857775327e+01 1.54 4.439257276e+01 4.439257276e+01 1.56 4.052467690e+01 4.052467690e+01 1.58 3.694937492e+01 3.694937492e+01 1.60 3.364481987e+01 3.364481987e+01 1.62 3.059140108e+01 3.059140108e+01 1.64 2.777056878e+01 2.777056878e+01 1.66 2.516575882e+01 2.516575882e+01 1.68 2.276189487e+01 2.276189487e+01 1.70 2.054483007e+01 2.054483007e+01 1.72 1.850092703e+01 1.850092703e+01 1.74 1.661686529e+01 1.661686529e+01 1.76 1.487971083e+01 1.487971083e+01 1.78 1.327721377e+01 1.327721377e+01 1.80 1.179819211e+01 1.179819211e+01 1.82 1.043280622e+01 1.043280622e+01 1.84 9.172585413e+00 9.172585413e+00 1.86 8.010199047e+00 8.010199047e+00 1.88 6.939089905e+00 6.939089905e+00 1.90 5.953127916e+00 5.953127916e+00 1.92 5.046391837e+00 5.046391837e+00 1.94 4.213107237e+00 4.213107237e+00 1.96 3.447708135e+00 3.447708135e+00 1.98 2.744955741e+00 2.744955741e+00 2.00 2.100042555e+00 2.100042555e+00 2.02 1.508635957e+00 1.508635957e+00 2.04 9.668565477e-01 9.668565477e-01 2.06 4.712158144e-01 4.712158144e-01 2.08 1.854358364e-02 1.854358364e-02 2.10 -3.940742102e-01 -3.940742102e-01 2.12 -7.693407469e-01 -7.693407469e-01 2.14 -1.109780249e+00 -1.109780249e+00 2.16 -1.417764286e+00 -1.417764286e+00 2.18 -1.695538181e+00 -1.695538181e+00 2.20 -1.945248350e+00 -1.945248350e+00 2.22 -2.168967204e+00 -2.168967204e+00 2.24 -2.368711331e+00 -2.368711331e+00 2.26 -2.546451533e+00 -2.546451533e+00 2.28 -2.704116972e+00 -2.704116972e+00 2.30 -2.843595046e+00 -2.843595046e+00 2.32 -2.966722558e+00 -2.966722558e+00 2.34 -3.075258646e+00 -3.075258646e+00 2.36 -3.170836217e+00 -3.170836217e+00 2.38 -3.254898548e+00 -3.254898548e+00 2.40 -3.328653130e+00 -3.328653130e+00 2.42 -3.393064185e+00 -3.393064185e+00 2.44 -3.448878880e+00 -3.448878880e+00 2.46 -3.496680624e+00 -3.496680624e+00 2.48 -3.536948903e+00 -3.536948903e+00 2.50 -3.570131404e+00 -3.570131404e+00 2.52 -3.596729689e+00 -3.596729689e+00 2.54 -3.616650105e+00 -3.616650105e+00 2.56 -3.629788557e+00 -3.629788557e+00 2.58 -3.636166010e+00 -3.636166010e+00 2.60 -3.635906306e+00 -3.635906306e+00 2.62 -3.629218755e+00 -3.629218755e+00 2.64 -3.616384967e+00 -3.616384967e+00 2.66 -3.597753246e+00 -3.597753246e+00 2.68 -3.573822499e+00 -3.573822499e+00 2.70 -3.545098438e+00 -3.545098438e+00 2.72 -3.512000642e+00 -3.512000642e+00 2.74 -3.474995557e+00 -3.474995557e+00 2.76 -3.434572308e+00 -3.434572308e+00 2.78 -3.391211892e+00 -3.391211892e+00 2.80 -3.345356576e+00 -3.345356576e+00 2.82 -3.297386778e+00 -3.297386778e+00 2.84 -3.247612287e+00 -3.247612287e+00 2.86 -3.196280016e+00 -3.196280016e+00 2.88 -3.143579561e+00 -3.143579561e+00 2.90 -3.089658547e+00 -3.089658547e+00 2.92 -3.034640123e+00 -3.034640123e+00 2.94 -2.978637361e+00 -2.978637361e+00 2.96 -2.921763458e+00 -2.921763458e+00 2.98 -2.864137907e+00 -2.864137907e+00 3.00 -2.805889394e+00 -2.805889394e+00 3.02 -2.747156174e+00 -2.747156174e+00 3.04 -2.688084498e+00 -2.688084498e+00 3.06 -2.628825471e+00 -2.628825471e+00 3.08 -2.569530687e+00 -2.569530687e+00 3.10 -2.510347181e+00 -2.510347181e+00 3.12 -2.451412385e+00 -2.451412385e+00 3.14 -2.392849863e+00 -2.392849863e+00 3.16 -2.334766466e+00 -2.334766466e+00 3.18 -2.277251173e+00 -2.277251173e+00 3.20 -2.220375534e+00 -2.220375534e+00 3.22 -2.164195332e+00 -2.164195332e+00 3.24 -2.108752956e+00 -2.108752956e+00 3.26 -2.054080040e+00 -2.054080040e+00 3.28 -2.000200008e+00 -2.000200008e+00 3.30 -1.947130312e+00 -1.947130312e+00 3.32 -1.894884238e+00 -1.894884238e+00 3.34 -1.843472230e+00 -1.843472230e+00 3.36 -1.792902717e+00 -1.792902717e+00 3.38 -1.743182488e+00 -1.743182488e+00 3.40 -1.694316667e+00 -1.694316667e+00 3.42 -1.646308399e+00 -1.646308399e+00 3.44 -1.599158355e+00 -1.599158355e+00 3.46 -1.552864202e+00 -1.552864202e+00 3.48 -1.507420145e+00 -1.507420145e+00 3.50 -1.462816639e+00 -1.462816639e+00 3.52 -1.419040332e+00 -1.419040332e+00 3.54 -1.376074244e+00 -1.376074244e+00 3.56 -1.333898187e+00 -1.333898187e+00 3.58 -1.292489369e+00 -1.292489369e+00 3.60 -1.251823171e+00 -1.251823171e+00 3.62 -1.211874056e+00 -1.211874056e+00 3.64 -1.172616637e+00 -1.172616637e+00 3.66 -1.134026906e+00 -1.134026906e+00 3.68 -1.096083681e+00 -1.096083681e+00 3.70 -1.058770277e+00 -1.058770277e+00 3.72 -1.022076370e+00 -1.022076370e+00 3.74 -9.859999714e-01 -9.859999714e-01 3.76 -9.505492793e-01 -9.505492793e-01 3.78 -9.157441389e-01 -9.157441389e-01 3.80 -8.816167359e-01 -8.816167359e-01 3.82 -8.482111670e-01 -8.482111670e-01 3.84 -8.155816142e-01 -8.155816142e-01 3.86 -7.837890454e-01 -7.837890454e-01 3.88 -7.528966226e-01 -7.528966226e-01 3.90 -7.229642849e-01 -7.229642849e-01 3.92 -6.940431909e-01 -6.940431909e-01 3.94 -6.661707845e-01 -6.661707845e-01 3.96 -6.393671558e-01 -6.393671558e-01 3.98 -6.136331308e-01 -6.136331308e-01 4.00 -5.889501930e-01 -5.889501930e-01 4.02 -5.652820322e-01 -5.652820322e-01 4.04 -5.425772950e-01 -5.425772950e-01 4.06 -5.207730205e-01 -5.207730205e-01 4.08 -4.997982720e-01 -4.997982720e-01 4.10 -4.795775884e-01 -4.795775884e-01 4.12 -4.600340290e-01 -4.600340290e-01 4.14 -4.410917041e-01 -4.410917041e-01 4.16 -4.226778260e-01 -4.226778260e-01 4.18 -4.047243432e-01 -4.047243432e-01 4.20 -3.871692721e-01 -3.871692721e-01 4.22 -3.699578309e-01 -3.699578309e-01 4.24 -3.530434598e-01 -3.530434598e-01 4.26 -3.363887787e-01 -3.363887787e-01 4.28 -3.199664935e-01 -3.199664935e-01 4.30 -3.037602251e-01 -3.037602251e-01 4.32 -2.877651948e-01 -2.877651948e-01 4.34 -2.719886700e-01 -2.719886700e-01 4.36 -2.564500509e-01 -2.564500509e-01 4.38 -2.411804677e-01 -2.411804677e-01 4.40 -2.262217685e-01 -2.262217685e-01 4.42 -2.116248148e-01 -2.116248148e-01 4.44 -1.974470652e-01 -1.974470652e-01 4.46 -1.837495159e-01 -1.837495159e-01 4.48 -1.705931734e-01 -1.705931734e-01 4.50 -1.580353291e-01 -1.580353291e-01 4.52 -1.461259715e-01 -1.461259715e-01 4.54 -1.349046894e-01 -1.349046894e-01 4.56 -1.243983696e-01 -1.243983696e-01 4.58 -1.146198959e-01 -1.146198959e-01 4.60 -1.055679187e-01 -1.055679187e-01 4.62 -9.722762881e-02 -9.722762881e-02 4.64 -8.957235370e-02 -8.957235370e-02 4.66 -8.256572246e-02 -8.256572246e-02 4.68 -7.616412640e-02 -7.616412640e-02 4.70 -7.031922826e-02 -7.031922826e-02 4.72 -6.498030742e-02 -6.498030742e-02 4.74 -6.009601290e-02 -6.009601290e-02 4.76 -5.561664185e-02 -5.561664185e-02 4.78 -5.149562812e-02 -5.149562812e-02 4.80 -4.768991436e-02 -4.768991436e-02 4.82 -4.416061947e-02 -4.416061947e-02 4.84 -4.087346508e-02 -4.087346508e-02 4.86 -3.779895737e-02 -3.779895737e-02 4.88 -3.491236665e-02 -3.491236665e-02 4.90 -3.219354981e-02 -3.219354981e-02 4.92 -2.962664598e-02 -2.962664598e-02 4.94 -2.719966909e-02 -2.719966909e-02 4.96 -2.490401568e-02 -2.490401568e-02 4.98 -2.273390973e-02 -2.273390973e-02 5.00 -2.068580565e-02 -2.068580565e-02 5.02 -1.875777481e-02 -1.875777481e-02 5.04 -1.694890485e-02 -1.694890485e-02 5.06 -1.525874171e-02 -1.525874171e-02 5.08 -1.368675332e-02 -1.368675332e-02 5.10 -1.223178517e-02 -1.223178517e-02 5.12 -1.089234126e-02 -1.089234126e-02 5.14 -9.666061604e-03 -9.666061604e-03 5.16 -8.549592352e-03 -8.549592352e-03 5.18 -7.538621269e-03 -7.538621269e-03 5.20 -6.627986429e-03 -6.627986429e-03 5.22 -5.811834887e-03 -5.811834887e-03 5.24 -5.083808609e-03 -5.083808609e-03 5.26 -4.437237588e-03 -4.437237588e-03 5.28 -3.865324272e-03 -3.865324272e-03 5.30 -3.361308058e-03 -3.361308058e-03 5.32 -2.918603216e-03 -2.918603216e-03 5.34 -2.530907446e-03 -2.530907446e-03 5.36 -2.192281313e-03 -2.192281313e-03 5.38 -1.897200872e-03 -1.897200872e-03 5.40 -1.640587034e-03 -1.640587034e-03 5.42 -1.417815772e-03 -1.417815772e-03 5.44 -1.224713308e-03 -1.224713308e-03 5.46 -1.057540155e-03 -1.057540155e-03 5.48 -9.129673835e-04 -9.129673835e-04 5.50 -7.880479506e-04 -7.880479506e-04 5.52 -6.801853431e-04 -6.801853431e-04 5.54 -5.871012845e-04 -5.871012845e-04 5.56 -5.068037779e-04 -5.068037779e-04 5.58 -4.375563833e-04 -4.375563833e-04 5.60 -3.778493175e-04 -3.778493175e-04 5.62 -3.263727246e-04 -3.263727246e-04 5.64 -2.819922831e-04 -2.819922831e-04 5.66 -2.437271872e-04 -2.437271872e-04 5.68 -2.107304455e-04 -2.107304455e-04 5.70 -1.822713835e-04 -1.822713835e-04 5.72 -1.577201965e-04 -1.577201965e-04 5.74 -1.365343824e-04 -1.365343824e-04 5.76 -1.182468758e-04 -1.182468758e-04 5.78 -1.024557065e-04 -1.024557065e-04 5.80 -8.881501428e-05 -8.881501428e-05 5.82 -7.702726081e-05 -7.702726081e-05 5.84 -6.683649291e-05 -6.683649291e-05 5.86 -5.802252599e-05 -5.802252599e-05 5.88 -5.039592854e-05 -5.039592854e-05 5.90 -4.379370255e-05 -4.379370255e-05 5.92 -3.807556674e-05 -3.807556674e-05 5.94 -3.312076077e-05 -3.312076077e-05 5.96 -2.882529910e-05 -2.882529910e-05 5.98 -2.509961219e-05 -2.509961219e-05 6.00 -2.186652099e-05 -2.186652099e-05