# 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 = Ag2AuPd # 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 3.072845064e+02 3.072845064e+02 1.30 2.847403187e+02 2.847403187e+02 1.32 2.638633465e+02 2.638633465e+02 1.34 2.445201131e+02 2.445201131e+02 1.36 2.265889525e+02 2.265889525e+02 1.38 2.099584100e+02 2.099584100e+02 1.40 1.945261069e+02 1.945261069e+02 1.42 1.801981328e+02 1.801981328e+02 1.44 1.668889280e+02 1.668889280e+02 1.46 1.545212270e+02 1.545212270e+02 1.48 1.430253849e+02 1.430253849e+02 1.50 1.323379492e+02 1.323379492e+02 1.52 1.224000827e+02 1.224000827e+02 1.54 1.131565359e+02 1.131565359e+02 1.56 1.045553169e+02 1.045553169e+02 1.58 9.654776925e+01 9.654776925e+01 1.60 8.908877341e+01 8.908877341e+01 1.62 8.213693187e+01 8.213693187e+01 1.64 7.565464969e+01 7.565464969e+01 1.66 6.960958286e+01 6.960958286e+01 1.68 6.398486003e+01 6.398486003e+01 1.70 5.876863117e+01 5.876863117e+01 1.72 5.393597444e+01 5.393597444e+01 1.74 4.945898596e+01 4.945898596e+01 1.76 4.531141334e+01 4.531141334e+01 1.78 4.146883191e+01 4.146883191e+01 1.80 3.790869501e+01 3.790869501e+01 1.82 3.461032070e+01 3.461032070e+01 1.84 3.155479771e+01 3.155479771e+01 1.86 2.872481247e+01 2.872481247e+01 1.88 2.610442581e+01 2.610442581e+01 1.90 2.367885816e+01 2.367885816e+01 1.92 2.143433885e+01 2.143433885e+01 1.94 1.935803013e+01 1.935803013e+01 1.96 1.743799251e+01 1.743799251e+01 1.98 1.566314857e+01 1.566314857e+01 2.00 1.402322205e+01 1.402322205e+01 2.02 1.250865540e+01 1.250865540e+01 2.04 1.111052527e+01 1.111052527e+01 2.06 9.820475976e+00 9.820475976e+00 2.08 8.630678930e+00 8.630678930e+00 2.10 7.533812814e+00 7.533812814e+00 2.12 6.523053361e+00 6.523053361e+00 2.14 5.592063117e+00 5.592063117e+00 2.16 4.734976639e+00 4.734976639e+00 2.18 3.946381233e+00 3.946381233e+00 2.20 3.221295410e+00 3.221295410e+00 2.22 2.555146304e+00 2.555146304e+00 2.24 1.943745340e+00 1.943745340e+00 2.26 1.383260668e+00 1.383260668e+00 2.28 8.701857031e-01 8.701857031e-01 2.30 4.013044396e-01 4.013044396e-01 2.32 -2.634509537e-02 -2.634509537e-02 2.34 -4.155075847e-01 -4.155075847e-01 2.36 -7.687456889e-01 -7.687456889e-01 2.38 -1.088472050e+00 -1.088472050e+00 2.40 -1.376976463e+00 -1.376976463e+00 2.42 -1.636447179e+00 -1.636447179e+00 2.44 -1.868985912e+00 -1.868985912e+00 2.46 -2.076616302e+00 -2.076616302e+00 2.48 -2.261285454e+00 -2.261285454e+00 2.50 -2.424858523e+00 -2.424858523e+00 2.52 -2.569108081e+00 -2.569108081e+00 2.54 -2.695702427e+00 -2.695702427e+00 2.56 -2.806197974e+00 -2.806197974e+00 2.58 -2.902038504e+00 -2.902038504e+00 2.60 -2.984639219e+00 -2.984639219e+00 2.62 -3.055639028e+00 -3.055639028e+00 2.64 -3.115987377e+00 -3.115987377e+00 2.66 -3.166431503e+00 -3.166431503e+00 2.68 -3.207670810e+00 -3.207670810e+00 2.70 -3.240344833e+00 -3.240344833e+00 2.72 -3.265029173e+00 -3.265029173e+00 2.74 -3.282239616e+00 -3.282239616e+00 2.76 -3.292452804e+00 -3.292452804e+00 2.78 -3.296143907e+00 -3.296143907e+00 2.80 -3.293757322e+00 -3.293757322e+00 2.82 -3.285712312e+00 -3.285712312e+00 2.84 -3.272532654e+00 -3.272532654e+00 2.86 -3.254673041e+00 -3.254673041e+00 2.88 -3.232336374e+00 -3.232336374e+00 2.90 -3.205764976e+00 -3.205764976e+00 2.92 -3.175236266e+00 -3.175236266e+00 2.94 -3.141054145e+00 -3.141054145e+00 2.96 -3.103540202e+00 -3.103540202e+00 2.98 -3.063025810e+00 -3.063025810e+00 3.00 -3.019847622e+00 -3.019847622e+00 3.02 -2.974354321e+00 -2.974354321e+00 3.04 -2.926894367e+00 -2.926894367e+00 3.06 -2.877805043e+00 -2.877805043e+00 3.08 -2.827407680e+00 -2.827407680e+00 3.10 -2.776001209e+00 -2.776001209e+00 3.12 -2.723855062e+00 -2.723855062e+00 3.14 -2.671203199e+00 -2.671203199e+00 3.16 -2.618240846e+00 -2.618240846e+00 3.18 -2.565124781e+00 -2.565124781e+00 3.20 -2.511976900e+00 -2.511976900e+00 3.22 -2.458890086e+00 -2.458890086e+00 3.24 -2.405935106e+00 -2.405935106e+00 3.26 -2.353167397e+00 -2.353167397e+00 3.28 -2.300632989e+00 -2.300632989e+00 3.30 -2.248373193e+00 -2.248373193e+00 3.32 -2.196427973e+00 -2.196427973e+00 3.34 -2.144838109e+00 -2.144838109e+00 3.36 -2.093646335e+00 -2.093646335e+00 3.38 -2.042897648e+00 -2.042897648e+00 3.40 -1.992638992e+00 -1.992638992e+00 3.42 -1.942918504e+00 -1.942918504e+00 3.44 -1.893784485e+00 -1.893784485e+00 3.46 -1.845284242e+00 -1.845284242e+00 3.48 -1.797462933e+00 -1.797462933e+00 3.50 -1.750362495e+00 -1.750362495e+00 3.52 -1.704020721e+00 -1.704020721e+00 3.54 -1.658470518e+00 -1.658470518e+00 3.56 -1.613739354e+00 -1.613739354e+00 3.58 -1.569848893e+00 -1.569848893e+00 3.60 -1.526814792e+00 -1.526814792e+00 3.62 -1.484646662e+00 -1.484646662e+00 3.64 -1.443348162e+00 -1.443348162e+00 3.66 -1.402917220e+00 -1.402917220e+00 3.68 -1.363346384e+00 -1.363346384e+00 3.70 -1.324623289e+00 -1.324623289e+00 3.72 -1.286731243e+00 -1.286731243e+00 3.74 -1.249649908e+00 -1.249649908e+00 3.76 -1.213356084e+00 -1.213356084e+00 3.78 -1.177824538e+00 -1.177824538e+00 3.80 -1.143028868e+00 -1.143028868e+00 3.82 -1.108942343e+00 -1.108942343e+00 3.84 -1.075538683e+00 -1.075538683e+00 3.86 -1.042792747e+00 -1.042792747e+00 3.88 -1.010681090e+00 -1.010681090e+00 3.90 -9.791823923e-01 -9.791823923e-01 3.92 -9.482777633e-01 -9.482777633e-01 3.94 -9.179509458e-01 -9.179509458e-01 3.96 -8.881884369e-01 -8.881884369e-01 3.98 -8.589795760e-01 -8.589795760e-01 4.00 -8.303166044e-01 -8.303166044e-01 4.02 -8.021947073e-01 -8.021947073e-01 4.04 -7.746120254e-01 -7.746120254e-01 4.06 -7.475696084e-01 -7.475696084e-01 4.08 -7.210712765e-01 -7.210712765e-01 4.10 -6.951233603e-01 -6.951233603e-01 4.12 -6.697343307e-01 -6.697343307e-01 4.14 -6.449142922e-01 -6.449142922e-01 4.16 -6.206744557e-01 -6.206744557e-01 4.18 -5.970266044e-01 -5.970266044e-01 4.20 -5.739826387e-01 -5.739826387e-01 4.22 -5.515542311e-01 -5.515542311e-01 4.24 -5.297525843e-01 -5.297525843e-01 4.26 -5.085882390e-01 -5.085882390e-01 4.28 -4.880708474e-01 -4.880708474e-01 4.30 -4.682088210e-01 -4.682088210e-01 4.32 -4.490087943e-01 -4.490087943e-01 4.34 -4.304748939e-01 -4.304748939e-01 4.36 -4.126078706e-01 -4.126078706e-01 4.38 -3.954042061e-01 -3.954042061e-01 4.40 -3.788553330e-01 -3.788553330e-01 4.42 -3.629471073e-01 -3.629471073e-01 4.44 -3.476596322e-01 -3.476596322e-01 4.46 -3.329674820e-01 -3.329674820e-01 4.48 -3.188403095e-01 -3.188403095e-01 4.50 -3.052437754e-01 -3.052437754e-01 4.52 -2.921407009e-01 -2.921407009e-01 4.54 -2.794923398e-01 -2.794923398e-01 4.56 -2.672596681e-01 -2.672596681e-01 4.58 -2.554046119e-01 -2.554046119e-01 4.60 -2.438911529e-01 -2.438911529e-01 4.62 -2.326862731e-01 -2.326862731e-01 4.64 -2.217607162e-01 -2.217607162e-01 4.66 -2.110895521e-01 -2.110895521e-01 4.68 -2.006525406e-01 -2.006525406e-01 4.70 -1.904342934e-01 -1.904342934e-01 4.72 -1.804242436e-01 -1.804242436e-01 4.74 -1.706164374e-01 -1.706164374e-01 4.76 -1.610091780e-01 -1.610091780e-01 4.78 -1.516045586e-01 -1.516045586e-01 4.80 -1.424079332e-01 -1.424079332e-01 4.82 -1.334273849e-01 -1.334273849e-01 4.84 -1.246732083e-01 -1.246732083e-01 4.86 -1.161574750e-01 -1.161574750e-01 4.88 -1.078936584e-01 -1.078936584e-01 4.90 -9.989631635e-02 -9.989631635e-02 4.92 -9.218079410e-02 -9.218079410e-02 4.94 -8.476290163e-02 -8.476290163e-02 4.96 -7.765852306e-02 -7.765852306e-02 4.98 -7.088312931e-02 -7.088312931e-02 5.00 -6.445119091e-02 -6.445119091e-02 5.02 -5.837551090e-02 -5.837551090e-02 5.04 -5.266653243e-02 -5.266653243e-02 5.06 -4.733168324e-02 -4.733168324e-02 5.08 -4.237483108e-02 -4.237483108e-02 5.10 -3.779590888e-02 -3.779590888e-02 5.12 -3.359074824e-02 -3.359074824e-02 5.14 -2.975097770e-02 -2.975097770e-02 5.16 -2.626428080e-02 -2.626428080e-02 5.18 -2.311565908e-02 -2.311565908e-02 5.20 -2.028717335e-02 -2.028717335e-02 5.22 -1.775863789e-02 -1.775863789e-02 5.24 -1.550878655e-02 -1.550878655e-02 5.26 -1.351551314e-02 -1.351551314e-02 5.28 -1.175648469e-02 -1.175648469e-02 5.30 -1.020968095e-02 -1.020968095e-02 5.32 -8.853825946e-03 -8.853825946e-03 5.34 -7.668712544e-03 -7.668712544e-03 5.36 -6.635427425e-03 -6.635427425e-03 5.38 -5.736489016e-03 -5.736489016e-03 5.40 -4.955912691e-03 -4.955912691e-03 5.42 -4.279218127e-03 -4.279218127e-03 5.44 -3.693392835e-03 -3.693392835e-03 5.46 -3.186824307e-03 -3.186824307e-03 5.48 -2.749211334e-03 -2.749211334e-03 5.50 -2.371463024e-03 -2.371463024e-03 5.52 -2.045592188e-03 -2.045592188e-03 5.54 -1.764608073e-03 -1.764608073e-03 5.56 -1.522412004e-03 -1.522412004e-03 5.58 -1.313698351e-03 -1.313698351e-03 5.60 -1.133862302e-03 -1.133862302e-03 5.62 -9.789152722e-04 -9.789152722e-04 5.64 -8.454082127e-04 -8.454082127e-04 5.66 -7.303627836e-04 -7.303627836e-04 5.68 -6.312100580e-04 -6.312100580e-04 5.70 -5.457363029e-04 -5.457363029e-04 5.72 -4.720352817e-04 -4.720352817e-04 5.74 -4.084664868e-04 -4.084664868e-04 5.76 -3.536187058e-04 -3.536187058e-04 5.78 -3.062783430e-04 -3.062783430e-04 5.80 -2.654019491e-04 -2.654019491e-04 5.82 -2.300924553e-04 -2.300924553e-04 5.84 -1.995786488e-04 -1.995786488e-04 5.86 -1.731974762e-04 -1.731974762e-04 5.88 -1.503788042e-04 -1.503788042e-04 5.90 -1.306323100e-04 -1.306323100e-04 5.92 -1.135362132e-04 -1.135362132e-04 5.94 -9.872759625e-05 -9.872759625e-05 5.96 -8.589409385e-05 -8.589409385e-05 5.98 -7.476676089e-05 -7.476676089e-05 6.00 -6.511395215e-05 -6.511395215e-05