# 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 = Ni2TaZr # 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 2.212536292e+02 2.212536292e+02 1.30 2.042546196e+02 2.042546196e+02 1.32 1.885392132e+02 1.885392132e+02 1.34 1.740011380e+02 1.740011380e+02 1.36 1.605470052e+02 1.605470052e+02 1.38 1.480946353e+02 1.480946353e+02 1.40 1.365705902e+02 1.365705902e+02 1.42 1.259076691e+02 1.259076691e+02 1.44 1.160427091e+02 1.160427091e+02 1.46 1.069151938e+02 1.069151938e+02 1.48 9.846688642e+01 9.846688642e+01 1.50 9.064212949e+01 9.064212949e+01 1.52 8.338848217e+01 8.338848217e+01 1.54 7.665754121e+01 7.665754121e+01 1.56 7.040564674e+01 7.040564674e+01 1.58 6.459423685e+01 6.459423685e+01 1.60 5.918967802e+01 5.918967802e+01 1.62 5.416269166e+01 5.416269166e+01 1.64 4.948754815e+01 4.948754815e+01 1.66 4.514117161e+01 4.514117161e+01 1.68 4.110229441e+01 4.110229441e+01 1.70 3.735085529e+01 3.735085529e+01 1.72 3.386766689e+01 3.386766689e+01 1.74 3.063436321e+01 3.063436321e+01 1.76 2.763355085e+01 2.763355085e+01 1.78 2.484907670e+01 2.484907670e+01 1.80 2.226620681e+01 2.226620681e+01 1.82 1.987162795e+01 1.987162795e+01 1.84 1.765359700e+01 1.765359700e+01 1.86 1.560489809e+01 1.560489809e+01 1.88 1.371540273e+01 1.371540273e+01 1.90 1.197421181e+01 1.197421181e+01 1.92 1.037069344e+01 1.037069344e+01 1.94 8.894480092e+00 8.894480092e+00 1.96 7.535501179e+00 7.535501179e+00 1.98 6.284108775e+00 6.284108775e+00 2.00 5.131260409e+00 5.131260409e+00 2.02 4.068682724e+00 4.068682724e+00 2.04 3.088974777e+00 3.088974777e+00 2.06 2.185627931e+00 2.185627931e+00 2.08 1.352965320e+00 1.352965320e+00 2.10 5.860267474e-01 5.860267474e-01 2.12 -1.195536867e-01 -1.195536867e-01 2.14 -7.676677505e-01 -7.676677505e-01 2.16 -1.361823930e+00 -1.361823930e+00 2.18 -1.905237961e+00 -1.905237961e+00 2.20 -2.400916355e+00 -2.400916355e+00 2.22 -2.851745678e+00 -2.851745678e+00 2.24 -3.260552261e+00 -3.260552261e+00 2.26 -3.630127546e+00 -3.630127546e+00 2.28 -3.963232938e+00 -3.963232938e+00 2.30 -4.262576181e+00 -4.262576181e+00 2.32 -4.530821774e+00 -4.530821774e+00 2.34 -4.770559775e+00 -4.770559775e+00 2.36 -4.984298513e+00 -4.984298513e+00 2.38 -5.174420175e+00 -5.174420175e+00 2.40 -5.343131867e+00 -5.343131867e+00 2.42 -5.492431323e+00 -5.492431323e+00 2.44 -5.624089975e+00 -5.624089975e+00 2.46 -5.739668072e+00 -5.739668072e+00 2.48 -5.840538471e+00 -5.840538471e+00 2.50 -5.927912194e+00 -5.927912194e+00 2.52 -6.002816198e+00 -6.002816198e+00 2.54 -6.066128906e+00 -6.066128906e+00 2.56 -6.118790516e+00 -6.118790516e+00 2.58 -6.161620500e+00 -6.161620500e+00 2.60 -6.195380661e+00 -6.195380661e+00 2.62 -6.220704829e+00 -6.220704829e+00 2.64 -6.238112390e+00 -6.238112390e+00 2.66 -6.248105401e+00 -6.248105401e+00 2.68 -6.251170509e+00 -6.251170509e+00 2.70 -6.247660936e+00 -6.247660936e+00 2.72 -6.237915552e+00 -6.237915552e+00 2.74 -6.222319823e+00 -6.222319823e+00 2.76 -6.201225425e+00 -6.201225425e+00 2.78 -6.174862734e+00 -6.174862734e+00 2.80 -6.143461649e+00 -6.143461649e+00 2.82 -6.107242131e+00 -6.107242131e+00 2.84 -6.066409797e+00 -6.066409797e+00 2.86 -6.021152541e+00 -6.021152541e+00 2.88 -5.971643321e+00 -5.971643321e+00 2.90 -5.918048179e+00 -5.918048179e+00 2.92 -5.860536493e+00 -5.860536493e+00 2.94 -5.799285467e+00 -5.799285467e+00 2.96 -5.734481730e+00 -5.734481730e+00 2.98 -5.666320334e+00 -5.666320334e+00 3.00 -5.595002045e+00 -5.595002045e+00 3.02 -5.520729998e+00 -5.520729998e+00 3.04 -5.443698777e+00 -5.443698777e+00 3.06 -5.364009945e+00 -5.364009945e+00 3.08 -5.281678938e+00 -5.281678938e+00 3.10 -5.196754249e+00 -5.196754249e+00 3.12 -5.109314118e+00 -5.109314118e+00 3.14 -5.019473201e+00 -5.019473201e+00 3.16 -4.927371574e+00 -4.927371574e+00 3.18 -4.833183289e+00 -4.833183289e+00 3.20 -4.737114461e+00 -4.737114461e+00 3.22 -4.639403348e+00 -4.639403348e+00 3.24 -4.540320163e+00 -4.540320163e+00 3.26 -4.440166077e+00 -4.440166077e+00 3.28 -4.339270306e+00 -4.339270306e+00 3.30 -4.237983897e+00 -4.237983897e+00 3.32 -4.136669242e+00 -4.136669242e+00 3.34 -4.035685482e+00 -4.035685482e+00 3.36 -3.935371278e+00 -3.935371278e+00 3.38 -3.836027487e+00 -3.836027487e+00 3.40 -3.737901351e+00 -3.737901351e+00 3.42 -3.641181108e+00 -3.641181108e+00 3.44 -3.545984343e+00 -3.545984343e+00 3.46 -3.452364451e+00 -3.452364451e+00 3.48 -3.360315124e+00 -3.360315124e+00 3.50 -3.269779587e+00 -3.269779587e+00 3.52 -3.180661840e+00 -3.180661840e+00 3.54 -3.092838739e+00 -3.092838739e+00 3.56 -3.006171986e+00 -3.006171986e+00 3.58 -2.920519341e+00 -2.920519341e+00 3.60 -2.835744622e+00 -2.835744622e+00 3.62 -2.751726255e+00 -2.751726255e+00 3.64 -2.668364329e+00 -2.668364329e+00 3.66 -2.585586236e+00 -2.585586236e+00 3.68 -2.503351050e+00 -2.503351050e+00 3.70 -2.421652807e+00 -2.421652807e+00 3.72 -2.340522793e+00 -2.340522793e+00 3.74 -2.260030824e+00 -2.260030824e+00 3.76 -2.180285376e+00 -2.180285376e+00 3.78 -2.101432278e+00 -2.101432278e+00 3.80 -2.023651594e+00 -2.023651594e+00 3.82 -1.947152310e+00 -1.947152310e+00 3.84 -1.872164594e+00 -1.872164594e+00 3.86 -1.798929628e+00 -1.798929628e+00 3.88 -1.727687473e+00 -1.727687473e+00 3.90 -1.658663888e+00 -1.658663888e+00 3.92 -1.592055471e+00 -1.592055471e+00 3.94 -1.528026534e+00 -1.528026534e+00 3.96 -1.466688212e+00 -1.466688212e+00 3.98 -1.408103261e+00 -1.408103261e+00 4.00 -1.352283553e+00 -1.352283553e+00 4.02 -1.299193659e+00 -1.299193659e+00 4.04 -1.248757174e+00 -1.248757174e+00 4.06 -1.200864670e+00 -1.200864670e+00 4.08 -1.155382180e+00 -1.155382180e+00 4.10 -1.112155229e+00 -1.112155229e+00 4.12 -1.071033339e+00 -1.071033339e+00 4.14 -1.031848831e+00 -1.031848831e+00 4.16 -9.944407767e-01 -9.944407767e-01 4.18 -9.586535085e-01 -9.586535085e-01 4.20 -9.243392571e-01 -9.243392571e-01 4.22 -8.913600314e-01 -8.913600314e-01 4.24 -8.595889654e-01 -8.595889654e-01 4.26 -8.289113218e-01 -8.289113218e-01 4.28 -7.992252990e-01 -7.992252990e-01 4.30 -7.704427359e-01 -7.704427359e-01 4.32 -7.424897504e-01 -7.424897504e-01 4.34 -7.153072884e-01 -7.153072884e-01 4.36 -6.888515019e-01 -6.888515019e-01 4.38 -6.630938309e-01 -6.630938309e-01 4.40 -6.380206358e-01 -6.380206358e-01 4.42 -6.136322288e-01 -6.136322288e-01 4.44 -5.899411951e-01 -5.899411951e-01 4.46 -5.669699692e-01 -5.669699692e-01 4.48 -5.447477418e-01 -5.447477418e-01 4.50 -5.233068920e-01 -5.233068920e-01 4.52 -5.026792397e-01 -5.026792397e-01 4.54 -4.828924746e-01 -4.828924746e-01 4.56 -4.639671149e-01 -4.639671149e-01 4.58 -4.459142789e-01 -4.459142789e-01 4.60 -4.287344351e-01 -4.287344351e-01 4.62 -4.124171561e-01 -4.124171561e-01 4.64 -3.969417685e-01 -3.969417685e-01 4.66 -3.822786968e-01 -3.822786968e-01 4.68 -3.683912504e-01 -3.683912504e-01 4.70 -3.552376046e-01 -3.552376046e-01 4.72 -3.427727510e-01 -3.427727510e-01 4.74 -3.309500245e-01 -3.309500245e-01 4.76 -3.197232231e-01 -3.197232231e-01 4.78 -3.090474990e-01 -3.090474990e-01 4.80 -2.988768404e-01 -2.988768404e-01 4.82 -2.891779325e-01 -2.891779325e-01 4.84 -2.799097161e-01 -2.799097161e-01 4.86 -2.710380607e-01 -2.710380607e-01 4.88 -2.625319100e-01 -2.625319100e-01 4.90 -2.543631529e-01 -2.543631529e-01 4.92 -2.465064249e-01 -2.465064249e-01 4.94 -2.389388702e-01 -2.389388702e-01 4.96 -2.316398876e-01 -2.316398876e-01 4.98 -2.245908755e-01 -2.245908755e-01 5.00 -2.177749877e-01 -2.177749877e-01 5.02 -2.111769060e-01 -2.111769060e-01 5.04 -2.047826356e-01 -2.047826356e-01 5.06 -1.985793242e-01 -1.985793242e-01 5.08 -1.925551063e-01 -1.925551063e-01 5.10 -1.866989739e-01 -1.866989739e-01 5.12 -1.810006729e-01 -1.810006729e-01 5.14 -1.754506258e-01 -1.754506258e-01 5.16 -1.700398801e-01 -1.700398801e-01 5.18 -1.647600834e-01 -1.647600834e-01 5.20 -1.596034837e-01 -1.596034837e-01 5.22 -1.545629563e-01 -1.545629563e-01 5.24 -1.496320532e-01 -1.496320532e-01 5.26 -1.448050755e-01 -1.448050755e-01 5.28 -1.400771624e-01 -1.400771624e-01 5.30 -1.354443914e-01 -1.354443914e-01 5.32 -1.309038805e-01 -1.309038805e-01 5.34 -1.264538816e-01 -1.264538816e-01 5.36 -1.220938486e-01 -1.220938486e-01 5.38 -1.178244685e-01 -1.178244685e-01 5.40 -1.136476396e-01 -1.136476396e-01 5.42 -1.095663832e-01 -1.095663832e-01 5.44 -1.055846825e-01 -1.055846825e-01 5.46 -1.017072479e-01 -1.017072479e-01 5.48 -9.793921966e-02 -9.793921966e-02 5.50 -9.428582138e-02 -9.428582138e-02 5.52 -9.075199185e-02 -9.075199185e-02 5.54 -8.734202833e-02 -8.734202833e-02 5.56 -8.405927052e-02 -8.405927052e-02 5.58 -8.090585213e-02 -8.090585213e-02 5.60 -7.788243187e-02 -7.788243187e-02 5.62 -7.498828158e-02 -7.498828158e-02 5.64 -7.222142078e-02 -7.222142078e-02 5.66 -6.957852338e-02 -6.957852338e-02 5.68 -6.705508755e-02 -6.705508755e-02 5.70 -6.464564502e-02 -6.464564502e-02 5.72 -6.234398687e-02 -6.234398687e-02 5.74 -6.014338677e-02 -6.014338677e-02 5.76 -5.803680722e-02 -5.803680722e-02 5.78 -5.601707932e-02 -5.601707932e-02 5.80 -5.407705125e-02 -5.407705125e-02 5.82 -5.220970475e-02 -5.220970475e-02 5.84 -5.040824153e-02 -5.040824153e-02 5.86 -4.866614361e-02 -4.866614361e-02 5.88 -4.697721246e-02 -4.697721246e-02 5.90 -4.533559230e-02 -4.533559230e-02 5.92 -4.373578254e-02 -4.373578254e-02 5.94 -4.217264413e-02 -4.217264413e-02 5.96 -4.064140388e-02 -4.064140388e-02 5.98 -3.913766011e-02 -3.913766011e-02 6.00 -3.765739233e-02 -3.765739233e-02