# 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 = PdPtTi2 # 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 3.458401300e+02 3.458401300e+02 1.30 3.219825810e+02 3.219825810e+02 1.32 2.997856115e+02 2.997856115e+02 1.34 2.791282046e+02 2.791282046e+02 1.36 2.598991049e+02 2.598991049e+02 1.38 2.419926065e+02 2.419926065e+02 1.40 2.253085993e+02 2.253085993e+02 1.42 2.097539094e+02 2.097539094e+02 1.44 1.952423646e+02 1.952423646e+02 1.46 1.816945207e+02 1.816945207e+02 1.48 1.690383029e+02 1.690383029e+02 1.50 1.572094592e+02 1.572094592e+02 1.52 1.461504155e+02 1.461504155e+02 1.54 1.358080742e+02 1.358080742e+02 1.56 1.261319240e+02 1.261319240e+02 1.58 1.170730617e+02 1.170730617e+02 1.60 1.085841805e+02 1.085841805e+02 1.62 1.006203972e+02 1.006203972e+02 1.64 9.314053011e+01 9.314053011e+01 1.66 8.610831213e+01 8.610831213e+01 1.68 7.949314797e+01 7.949314797e+01 1.70 7.327006761e+01 7.327006761e+01 1.72 6.741853596e+01 6.741853596e+01 1.74 6.192020874e+01 6.192020874e+01 1.76 5.675659992e+01 5.675659992e+01 1.78 5.190791023e+01 5.190791023e+01 1.80 4.735349387e+01 4.735349387e+01 1.82 4.307547043e+01 4.307547043e+01 1.84 3.910492122e+01 3.910492122e+01 1.86 3.544247337e+01 3.544247337e+01 1.88 3.206451015e+01 3.206451015e+01 1.90 2.894966480e+01 2.894966480e+01 1.92 2.607819041e+01 2.607819041e+01 1.94 2.343161165e+01 2.343161165e+01 1.96 2.099261254e+01 2.099261254e+01 1.98 1.874503176e+01 1.874503176e+01 2.00 1.667388432e+01 1.667388432e+01 2.02 1.476536950e+01 1.476536950e+01 2.04 1.300684377e+01 1.300684377e+01 2.06 1.138675979e+01 1.138675979e+01 2.08 9.894588539e+00 9.894588539e+00 2.10 8.520734422e+00 8.520734422e+00 2.12 7.256436010e+00 7.256436010e+00 2.14 6.093655877e+00 6.093655877e+00 2.16 5.024977802e+00 5.024977802e+00 2.18 4.043531612e+00 4.043531612e+00 2.20 3.142948795e+00 3.142948795e+00 2.22 2.317336565e+00 2.317336565e+00 2.24 1.561259190e+00 1.561259190e+00 2.26 8.697207413e-01 8.697207413e-01 2.28 2.381448596e-01 2.381448596e-01 2.30 -3.376547751e-01 -3.376547751e-01 2.32 -8.615200464e-01 -8.615200464e-01 2.34 -1.337005361e+00 -1.337005361e+00 2.36 -1.767434004e+00 -1.767434004e+00 2.38 -2.155943927e+00 -2.155943927e+00 2.40 -2.505521367e+00 -2.505521367e+00 2.42 -2.819026386e+00 -2.819026386e+00 2.44 -3.099213009e+00 -3.099213009e+00 2.46 -3.348744025e+00 -3.348744025e+00 2.48 -3.570197302e+00 -3.570197302e+00 2.50 -3.766060391e+00 -3.766060391e+00 2.52 -3.938710919e+00 -3.938710919e+00 2.54 -4.090383466e+00 -4.090383466e+00 2.56 -4.223128950e+00 -4.223128950e+00 2.58 -4.338777604e+00 -4.338777604e+00 2.60 -4.439590436e+00 -4.439590436e+00 2.62 -4.527551246e+00 -4.527551246e+00 2.64 -4.603456557e+00 -4.603456557e+00 2.66 -4.667976526e+00 -4.667976526e+00 2.68 -4.721695750e+00 -4.721695750e+00 2.70 -4.765230182e+00 -4.765230182e+00 2.72 -4.799035950e+00 -4.799035950e+00 2.74 -4.823496368e+00 -4.823496368e+00 2.76 -4.839005658e+00 -4.839005658e+00 2.78 -4.845965997e+00 -4.845965997e+00 2.80 -4.844785063e+00 -4.844785063e+00 2.82 -4.835875371e+00 -4.835875371e+00 2.84 -4.819657446e+00 -4.819657446e+00 2.86 -4.796561220e+00 -4.796561220e+00 2.88 -4.767024068e+00 -4.767024068e+00 2.90 -4.731610552e+00 -4.731610552e+00 2.92 -4.690595303e+00 -4.690595303e+00 2.94 -4.644317824e+00 -4.644317824e+00 2.96 -4.593208842e+00 -4.593208842e+00 2.98 -4.537774030e+00 -4.537774030e+00 3.00 -4.478570837e+00 -4.478570837e+00 3.02 -4.416179350e+00 -4.416179350e+00 3.04 -4.351169716e+00 -4.351169716e+00 3.06 -4.284080303e+00 -4.284080303e+00 3.08 -4.215408281e+00 -4.215408281e+00 3.10 -4.145560987e+00 -4.145560987e+00 3.12 -4.074846327e+00 -4.074846327e+00 3.14 -4.003482022e+00 -4.003482022e+00 3.16 -3.931612050e+00 -3.931612050e+00 3.18 -3.859327412e+00 -3.859327412e+00 3.20 -3.786685538e+00 -3.786685538e+00 3.22 -3.713726296e+00 -3.713726296e+00 3.24 -3.640483523e+00 -3.640483523e+00 3.26 -3.566992359e+00 -3.566992359e+00 3.28 -3.493293248e+00 -3.493293248e+00 3.30 -3.419433627e+00 -3.419433627e+00 3.32 -3.345468174e+00 -3.345468174e+00 3.34 -3.271458252e+00 -3.271458252e+00 3.36 -3.197471024e+00 -3.197471024e+00 3.38 -3.123578542e+00 -3.123578542e+00 3.40 -3.049857031e+00 -3.049857031e+00 3.42 -2.976391010e+00 -2.976391010e+00 3.44 -2.903306470e+00 -2.903306470e+00 3.46 -2.830745459e+00 -2.830745459e+00 3.48 -2.758844120e+00 -2.758844120e+00 3.50 -2.687734369e+00 -2.687734369e+00 3.52 -2.617544657e+00 -2.617544657e+00 3.54 -2.548399141e+00 -2.548399141e+00 3.56 -2.480415076e+00 -2.480415076e+00 3.58 -2.413698687e+00 -2.413698687e+00 3.60 -2.348340290e+00 -2.348340290e+00 3.62 -2.284409735e+00 -2.284409735e+00 3.64 -2.221953251e+00 -2.221953251e+00 3.66 -2.160992405e+00 -2.160992405e+00 3.68 -2.101525294e+00 -2.101525294e+00 3.70 -2.043529617e+00 -2.043529617e+00 3.72 -1.986966906e+00 -1.986966906e+00 3.74 -1.931787178e+00 -1.931787178e+00 3.76 -1.877933402e+00 -1.877933402e+00 3.78 -1.825345383e+00 -1.825345383e+00 3.80 -1.773962887e+00 -1.773962887e+00 3.82 -1.723727970e+00 -1.723727970e+00 3.84 -1.674586567e+00 -1.674586567e+00 3.86 -1.626489454e+00 -1.626489454e+00 3.88 -1.579392699e+00 -1.579392699e+00 3.90 -1.533257738e+00 -1.533257738e+00 3.92 -1.488051166e+00 -1.488051166e+00 3.94 -1.443744649e+00 -1.443744649e+00 3.96 -1.400314342e+00 -1.400314342e+00 3.98 -1.357740910e+00 -1.357740910e+00 4.00 -1.316009416e+00 -1.316009416e+00 4.02 -1.275109426e+00 -1.275109426e+00 4.04 -1.235035247e+00 -1.235035247e+00 4.06 -1.195786218e+00 -1.195786218e+00 4.08 -1.157366961e+00 -1.157366961e+00 4.10 -1.119787360e+00 -1.119787360e+00 4.12 -1.083062764e+00 -1.083062764e+00 4.14 -1.047212686e+00 -1.047212686e+00 4.16 -1.012260143e+00 -1.012260143e+00 4.18 -9.782299194e-01 -9.782299194e-01 4.20 -9.451465067e-01 -9.451465067e-01 4.22 -9.130317832e-01 -9.130317832e-01 4.24 -8.819026276e-01 -8.819026276e-01 4.26 -8.517687320e-01 -8.517687320e-01 4.28 -8.226308588e-01 -8.226308588e-01 4.30 -7.944797307e-01 -7.944797307e-01 4.32 -7.672956532e-01 -7.672956532e-01 4.34 -7.410488642e-01 -7.410488642e-01 4.36 -7.157005062e-01 -7.157005062e-01 4.38 -6.912040552e-01 -6.912040552e-01 4.40 -6.675070092e-01 -6.675070092e-01 4.42 -6.445526527e-01 -6.445526527e-01 4.44 -6.222817497e-01 -6.222817497e-01 4.46 -6.006340703e-01 -6.006340703e-01 4.48 -5.795497069e-01 -5.795497069e-01 4.50 -5.589701833e-01 -5.589701833e-01 4.52 -5.388393902e-01 -5.388393902e-01 4.54 -5.191043974e-01 -5.191043974e-01 4.56 -4.997162017e-01 -4.997162017e-01 4.58 -4.806304572e-01 -4.806304572e-01 4.60 -4.618082263e-01 -4.618082263e-01 4.62 -4.432167654e-01 -4.432167654e-01 4.64 -4.248303383e-01 -4.248303383e-01 4.66 -4.066310225e-01 -4.066310225e-01 4.68 -3.886094537e-01 -3.886094537e-01 4.70 -3.707654302e-01 -3.707654302e-01 4.72 -3.531082894e-01 -3.531082894e-01 4.74 -3.356569651e-01 -3.356569651e-01 4.76 -3.184396462e-01 -3.184396462e-01 4.78 -3.014929802e-01 -3.014929802e-01 4.80 -2.848607246e-01 -2.848607246e-01 4.82 -2.685923773e-01 -2.685923773e-01 4.84 -2.527405755e-01 -2.527405755e-01 4.86 -2.373591652e-01 -2.373591652e-01 4.88 -2.225007308e-01 -2.225007308e-01 4.90 -2.082143261e-01 -2.082143261e-01 4.92 -1.945434740e-01 -1.945434740e-01 4.94 -1.815245640e-01 -1.815245640e-01 4.96 -1.691857275e-01 -1.691857275e-01 4.98 -1.575462104e-01 -1.575462104e-01 5.00 -1.466162108e-01 -1.466162108e-01 5.02 -1.363971107e-01 -1.363971107e-01 5.04 -1.268820111e-01 -1.268820111e-01 5.06 -1.180564820e-01 -1.180564820e-01 5.08 -1.098994516e-01 -1.098994516e-01 5.10 -1.023841789e-01 -1.023841789e-01 5.12 -9.547927154e-02 -9.547927154e-02 5.14 -8.914971993e-02 -8.914971993e-02 5.16 -8.335792487e-02 -8.335792487e-02 5.18 -7.806468649e-02 -7.806468649e-02 5.20 -7.323013659e-02 -7.323013659e-02 5.22 -6.881457870e-02 -6.881457870e-02 5.24 -6.477914715e-02 -6.477914715e-02 5.26 -6.108602916e-02 -6.108602916e-02 5.28 -5.770016746e-02 -5.770016746e-02 5.30 -5.458874545e-02 -5.458874545e-02 5.32 -5.172122404e-02 -5.172122404e-02 5.34 -4.906949798e-02 -4.906949798e-02 5.36 -4.660793515e-02 -4.660793515e-02 5.38 -4.431332986e-02 -4.431332986e-02 5.40 -4.216479748e-02 -4.216479748e-02 5.42 -4.014363325e-02 -4.014363325e-02 5.44 -3.823315365e-02 -3.823315365e-02 5.46 -3.641853482e-02 -3.641853482e-02 5.48 -3.468665855e-02 -3.468665855e-02 5.50 -3.302597340e-02 -3.302597340e-02 5.52 -3.142637584e-02 -3.142637584e-02 5.54 -2.987911372e-02 -2.987911372e-02 5.56 -2.837671279e-02 -2.837671279e-02 5.58 -2.691292452e-02 -2.691292452e-02 5.60 -2.548269232e-02 -2.548269232e-02 5.62 -2.408213079e-02 -2.408213079e-02 5.64 -2.270851181e-02 -2.270851181e-02 5.66 -2.136024943e-02 -2.136024943e-02 5.68 -2.003687256e-02 -2.003687256e-02 5.70 -1.873898004e-02 -1.873898004e-02 5.72 -1.746816735e-02 -1.746816735e-02 5.74 -1.622691839e-02 -1.622691839e-02 5.76 -1.501845937e-02 -1.501845937e-02 5.78 -1.384657314e-02 -1.384657314e-02 5.80 -1.271539201e-02 -1.271539201e-02 5.82 -1.162916011e-02 -1.162916011e-02 5.84 -1.059198880e-02 -1.059198880e-02 5.86 -9.607625166e-03 -9.607625166e-03 5.88 -8.679247407e-03 -8.679247407e-03 5.90 -7.809301590e-03 -7.809301590e-03 5.92 -6.999520129e-03 -6.999520129e-03 5.94 -6.250910307e-03 -6.250910307e-03 5.96 -5.563055114e-03 -5.563055114e-03 5.98 -4.934727926e-03 -4.934727926e-03 6.00 -4.364012811e-03 -4.364012811e-03