# 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 = AgCu2Ni # 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 1.314917315e+02 1.314917315e+02 1.30 1.209380640e+02 1.209380640e+02 1.32 1.112137308e+02 1.112137308e+02 1.34 1.022470240e+02 1.022470240e+02 1.36 9.397444401e+01 9.397444401e+01 1.38 8.634042352e+01 8.634042352e+01 1.40 7.929561731e+01 7.929561731e+01 1.42 7.279522122e+01 7.279522122e+01 1.44 6.679766082e+01 6.679766082e+01 1.46 6.126358801e+01 6.126358801e+01 1.48 5.615545138e+01 5.615545138e+01 1.50 5.143784027e+01 5.143784027e+01 1.52 4.707826044e+01 4.707826044e+01 1.54 4.304759904e+01 4.304759904e+01 1.56 3.931993395e+01 3.931993395e+01 1.58 3.587305398e+01 3.587305398e+01 1.60 3.268574585e+01 3.268574585e+01 1.62 2.973856617e+01 2.973856617e+01 1.64 2.701430126e+01 2.701430126e+01 1.66 2.449762267e+01 2.449762267e+01 1.68 2.217449214e+01 2.217449214e+01 1.70 2.003157269e+01 2.003157269e+01 1.72 1.805584553e+01 1.805584553e+01 1.74 1.623449489e+01 1.623449489e+01 1.76 1.455504583e+01 1.455504583e+01 1.78 1.300567529e+01 1.300567529e+01 1.80 1.157555981e+01 1.157555981e+01 1.82 1.025511237e+01 1.025511237e+01 1.84 9.036005905e+00 9.036005905e+00 1.86 7.910980591e+00 7.910980591e+00 1.88 6.873535491e+00 6.873535491e+00 1.90 5.917638793e+00 5.917638793e+00 1.92 5.037545881e+00 5.037545881e+00 1.94 4.227746878e+00 4.227746878e+00 1.96 3.483013385e+00 3.483013385e+00 1.98 2.798485357e+00 2.798485357e+00 2.00 2.169737546e+00 2.169737546e+00 2.02 1.592791030e+00 1.592791030e+00 2.04 1.064070938e+00 1.064070938e+00 2.06 5.803340736e-01 5.803340736e-01 2.08 1.385934098e-01 1.385934098e-01 2.10 -2.639421378e-01 -2.639421378e-01 2.12 -6.299067682e-01 -6.299067682e-01 2.14 -9.618002047e-01 -9.618002047e-01 2.16 -1.262002344e+00 -1.262002344e+00 2.18 -1.532786966e+00 -1.532786966e+00 2.20 -1.776336120e+00 -1.776336120e+00 2.22 -1.994752918e+00 -1.994752918e+00 2.24 -2.190070584e+00 -2.190070584e+00 2.26 -2.364258706e+00 -2.364258706e+00 2.28 -2.519229058e+00 -2.519229058e+00 2.30 -2.656839075e+00 -2.656839075e+00 2.32 -2.778883552e+00 -2.778883552e+00 2.34 -2.887064253e+00 -2.887064253e+00 2.36 -2.982934318e+00 -2.982934318e+00 2.38 -3.067841605e+00 -3.067841605e+00 2.40 -3.142892735e+00 -3.142892735e+00 2.42 -3.208953072e+00 -3.208953072e+00 2.44 -3.266684191e+00 -3.266684191e+00 2.46 -3.316602193e+00 -3.316602193e+00 2.48 -3.359128156e+00 -3.359128156e+00 2.50 -3.394755757e+00 -3.394755757e+00 2.52 -3.423942023e+00 -3.423942023e+00 2.54 -3.446468875e+00 -3.446468875e+00 2.56 -3.462233919e+00 -3.462233919e+00 2.58 -3.471256580e+00 -3.471256580e+00 2.60 -3.473657815e+00 -3.473657815e+00 2.62 -3.469645098e+00 -3.469645098e+00 2.64 -3.459533075e+00 -3.459533075e+00 2.66 -3.443770302e+00 -3.443770302e+00 2.68 -3.422748393e+00 -3.422748393e+00 2.70 -3.396912064e+00 -3.396912064e+00 2.72 -3.366752441e+00 -3.366752441e+00 2.74 -3.332786239e+00 -3.332786239e+00 2.76 -3.295528367e+00 -3.295528367e+00 2.78 -3.255461817e+00 -3.255461817e+00 2.80 -3.213011852e+00 -3.213011852e+00 2.82 -3.168535125e+00 -3.168535125e+00 2.84 -3.122314785e+00 -3.122314785e+00 2.86 -3.074564629e+00 -3.074564629e+00 2.88 -3.025445982e+00 -3.025445982e+00 2.90 -2.975086948e+00 -2.975086948e+00 2.92 -2.923599791e+00 -2.923599791e+00 2.94 -2.871094179e+00 -2.871094179e+00 2.96 -2.817685799e+00 -2.817685799e+00 2.98 -2.763500818e+00 -2.763500818e+00 3.00 -2.708677116e+00 -2.708677116e+00 3.02 -2.653363101e+00 -2.653363101e+00 3.04 -2.597714688e+00 -2.597714688e+00 3.06 -2.541890848e+00 -2.541890848e+00 3.08 -2.486048103e+00 -2.486048103e+00 3.10 -2.430334573e+00 -2.430334573e+00 3.12 -2.374884301e+00 -2.374884301e+00 3.14 -2.319812706e+00 -2.319812706e+00 3.16 -2.265213788e+00 -2.265213788e+00 3.18 -2.211159389e+00 -2.211159389e+00 3.20 -2.157700341e+00 -2.157700341e+00 3.22 -2.104869106e+00 -2.104869106e+00 3.24 -2.052683312e+00 -2.052683312e+00 3.26 -2.001149676e+00 -2.001149676e+00 3.28 -1.950267884e+00 -1.950267884e+00 3.30 -1.900034110e+00 -1.900034110e+00 3.32 -1.850443976e+00 -1.850443976e+00 3.34 -1.801494805e+00 -1.801494805e+00 3.36 -1.753187077e+00 -1.753187077e+00 3.38 -1.705525092e+00 -1.705525092e+00 3.40 -1.658516870e+00 -1.658516870e+00 3.42 -1.612173430e+00 -1.612173430e+00 3.44 -1.566507622e+00 -1.566507622e+00 3.46 -1.521532699e+00 -1.521532699e+00 3.48 -1.477260864e+00 -1.477260864e+00 3.50 -1.433701943e+00 -1.433701943e+00 3.52 -1.390862332e+00 -1.390862332e+00 3.54 -1.348744292e+00 -1.348744292e+00 3.56 -1.307345638e+00 -1.307345638e+00 3.58 -1.266659819e+00 -1.266659819e+00 3.60 -1.226676393e+00 -1.226676393e+00 3.62 -1.187381854e+00 -1.187381854e+00 3.64 -1.148760829e+00 -1.148760829e+00 3.66 -1.110797606e+00 -1.110797606e+00 3.68 -1.073477986e+00 -1.073477986e+00 3.70 -1.036791379e+00 -1.036791379e+00 3.72 -1.000733050e+00 -1.000733050e+00 3.74 -9.653063172e-01 -9.653063172e-01 3.76 -9.305244246e-01 -9.305244246e-01 3.78 -8.964117717e-01 -8.964117717e-01 3.80 -8.630041382e-01 -8.630041382e-01 3.82 -8.303476214e-01 -8.303476214e-01 3.84 -7.984961399e-01 -7.984961399e-01 3.86 -7.675075947e-01 -7.675075947e-01 3.88 -7.374390296e-01 -7.374390296e-01 3.90 -7.083413718e-01 -7.083413718e-01 3.92 -6.802544533e-01 -6.802544533e-01 3.94 -6.532029934e-01 -6.532029934e-01 3.96 -6.271940437e-01 -6.271940437e-01 3.98 -6.022161323e-01 -6.022161323e-01 4.00 -5.782400363e-01 -5.782400363e-01 4.02 -5.552208740e-01 -5.552208740e-01 4.04 -5.331010711e-01 -5.331010711e-01 4.06 -5.118137313e-01 -5.118137313e-01 4.08 -4.912860121e-01 -4.912860121e-01 4.10 -4.714422278e-01 -4.714422278e-01 4.12 -4.522065404e-01 -4.522065404e-01 4.14 -4.335051918e-01 -4.335051918e-01 4.16 -4.152683461e-01 -4.152683461e-01 4.18 -3.974316170e-01 -3.974316170e-01 4.20 -3.799373851e-01 -3.799373851e-01 4.22 -3.627359928e-01 -3.627359928e-01 4.24 -3.457868706e-01 -3.457868706e-01 4.26 -3.290596112e-01 -3.290596112e-01 4.28 -3.125349658e-01 -3.125349658e-01 4.30 -2.962056926e-01 -2.962056926e-01 4.32 -2.800771557e-01 -2.800771557e-01 4.34 -2.641675437e-01 -2.641675437e-01 4.36 -2.485075739e-01 -2.485075739e-01 4.38 -2.331395540e-01 -2.331395540e-01 4.40 -2.181157180e-01 -2.181157180e-01 4.42 -2.034958152e-01 -2.034958152e-01 4.44 -1.893440219e-01 -1.893440219e-01 4.46 -1.757253468e-01 -1.757253468e-01 4.48 -1.627017946e-01 -1.627017946e-01 4.50 -1.503286222e-01 -1.503286222e-01 4.52 -1.386510364e-01 -1.386510364e-01 4.54 -1.277016478e-01 -1.277016478e-01 4.56 -1.174989010e-01 -1.174989010e-01 4.58 -1.080465769e-01 -1.080465769e-01 4.60 -9.933432526e-02 -9.933432526e-02 4.62 -9.133907234e-02 -9.133907234e-02 4.64 -8.402706437e-02 -8.402706437e-02 4.66 -7.735627955e-02 -7.735627955e-02 4.68 -7.127895581e-02 -7.127895581e-02 4.70 -6.574401827e-02 -6.574401827e-02 4.72 -6.069900112e-02 -6.069900112e-02 4.74 -5.609217273e-02 -5.609217273e-02 4.76 -5.187448129e-02 -5.187448129e-02 4.78 -4.800004355e-02 -4.800004355e-02 4.80 -4.442680206e-02 -4.442680206e-02 4.82 -4.111707154e-02 -4.111707154e-02 4.84 -3.803781271e-02 -3.803781271e-02 4.86 -3.516070429e-02 -3.516070429e-02 4.88 -3.246204934e-02 -3.246204934e-02 4.90 -2.992255466e-02 -2.992255466e-02 4.92 -2.752700742e-02 -2.752700742e-02 4.94 -2.526386787e-02 -2.526386787e-02 4.96 -2.312479243e-02 -2.312479243e-02 4.98 -2.110410472e-02 -2.110410472e-02 5.00 -1.919823255e-02 -1.919823255e-02 5.02 -1.740513311e-02 -1.740513311e-02 5.04 -1.572373226e-02 -1.572373226e-02 5.06 -1.415340502e-02 -1.415340502e-02 5.08 -1.269348416e-02 -1.269348416e-02 5.10 -1.134276607e-02 -1.134276607e-02 5.12 -1.009971076e-02 -1.009971076e-02 5.14 -8.961997718e-03 -8.961997718e-03 5.16 -7.926408420e-03 -7.926408420e-03 5.18 -6.988856979e-03 -6.988856979e-03 5.20 -6.144488314e-03 -6.144488314e-03 5.22 -5.387822590e-03 -5.387822590e-03 5.24 -4.712924964e-03 -4.712924964e-03 5.26 -4.113582178e-03 -4.113582178e-03 5.28 -3.583471319e-03 -3.583471319e-03 5.30 -3.116310414e-03 -3.116310414e-03 5.32 -2.705984676e-03 -2.705984676e-03 5.34 -2.346645823e-03 -2.346645823e-03 5.36 -2.032784664e-03 -2.032784664e-03 5.38 -1.759279069e-03 -1.759279069e-03 5.40 -1.521420563e-03 -1.521420563e-03 5.42 -1.314923318e-03 -1.314923318e-03 5.44 -1.135919364e-03 -1.135919364e-03 5.46 -9.809435527e-04 -9.809435527e-04 5.48 -8.469113909e-04 -8.469113909e-04 5.50 -7.310923595e-04 -7.310923595e-04 5.52 -6.310807815e-04 -6.310807815e-04 5.54 -5.447658490e-04 -5.447658490e-04 5.56 -4.703019839e-04 -4.703019839e-04 5.58 -4.060803565e-04 -4.060803565e-04 5.60 -3.507021018e-04 -3.507021018e-04 5.62 -3.029535529e-04 -3.029535529e-04 5.64 -2.617836437e-04 -2.617836437e-04 5.66 -2.262835124e-04 -2.262835124e-04 5.68 -1.956682540e-04 -1.956682540e-04 5.70 -1.692607141e-04 -1.692607141e-04 5.72 -1.464771827e-04 -1.464771827e-04 5.74 -1.268148290e-04 -1.268148290e-04 5.76 -1.098407114e-04 -1.098407114e-04 5.78 -9.518220023e-05 -9.518220023e-05 5.80 -8.251865553e-05 -8.251865553e-05 5.82 -7.157421335e-05 -7.157421335e-05 5.84 -6.211154626e-05 -6.211154626e-05 5.86 -5.392647530e-05 -5.392647530e-05 5.88 -4.684332399e-05 -4.684332399e-05 5.90 -4.071091667e-05 -4.071091667e-05 5.92 -3.539913514e-05 -3.539913514e-05 5.94 -3.079595772e-05 -3.079595772e-05 5.96 -2.680491476e-05 -2.680491476e-05 5.98 -2.334290292e-05 -2.334290292e-05 6.00 -2.033830811e-05 -2.033830811e-05