# 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 = AuNiPd2 # 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 2.773894864e+02 2.773894864e+02 1.30 2.568422030e+02 2.568422030e+02 1.32 2.378064252e+02 2.378064252e+02 1.34 2.201640151e+02 2.201640151e+02 1.36 2.038062182e+02 2.038062182e+02 1.38 1.886324078e+02 1.886324078e+02 1.40 1.745498782e+02 1.745498782e+02 1.42 1.614734483e+02 1.614734483e+02 1.44 1.493248780e+02 1.493248780e+02 1.46 1.380326752e+02 1.380326752e+02 1.48 1.275320343e+02 1.275320343e+02 1.50 1.177642128e+02 1.177642128e+02 1.52 1.086753042e+02 1.086753042e+02 1.54 1.002150362e+02 1.002150362e+02 1.56 9.233611832e+01 9.233611832e+01 1.58 8.499417664e+01 8.499417664e+01 1.60 7.814800094e+01 7.814800094e+01 1.62 7.175981806e+01 7.175981806e+01 1.64 6.579540955e+01 6.579540955e+01 1.66 6.022400339e+01 6.022400339e+01 1.68 5.502430109e+01 5.502430109e+01 1.70 5.018887949e+01 5.018887949e+01 1.72 4.571969050e+01 4.571969050e+01 1.74 4.159191340e+01 4.159191340e+01 1.76 3.778068797e+01 3.778068797e+01 1.78 3.426290457e+01 3.426290457e+01 1.80 3.101706352e+01 3.101706352e+01 1.82 2.802315489e+01 2.802315489e+01 1.84 2.526256708e+01 2.526256708e+01 1.86 2.271799674e+01 2.271799674e+01 1.88 2.037333035e+01 2.037333035e+01 1.90 1.821351627e+01 1.821351627e+01 1.92 1.622448018e+01 1.622448018e+01 1.94 1.439311059e+01 1.439311059e+01 1.96 1.270728749e+01 1.270728749e+01 1.98 1.115589781e+01 1.115589781e+01 2.00 9.728795795e+00 9.728795795e+00 2.02 8.416706581e+00 8.416706581e+00 2.04 7.211105351e+00 7.211105351e+00 2.06 6.104109627e+00 6.104109627e+00 2.08 5.088404029e+00 5.088404029e+00 2.10 4.157196498e+00 4.157196498e+00 2.12 3.304194515e+00 3.304194515e+00 2.14 2.523588292e+00 2.523588292e+00 2.16 1.810031216e+00 1.810031216e+00 2.18 1.158613160e+00 1.158613160e+00 2.20 5.648273037e-01 5.648273037e-01 2.22 2.453353418e-02 2.453353418e-02 2.24 -4.660789648e-01 -4.660789648e-01 2.26 -9.105290616e-01 -9.105290616e-01 2.28 -1.312081244e+00 -1.312081244e+00 2.30 -1.673783394e+00 -1.673783394e+00 2.32 -1.998503059e+00 -1.998503059e+00 2.34 -2.288958104e+00 -2.288958104e+00 2.36 -2.547736637e+00 -2.547736637e+00 2.38 -2.777303514e+00 -2.777303514e+00 2.40 -2.979996252e+00 -2.979996252e+00 2.42 -3.158017926e+00 -3.158017926e+00 2.44 -3.313434681e+00 -3.313434681e+00 2.46 -3.448180692e+00 -3.448180692e+00 2.48 -3.564067194e+00 -3.564067194e+00 2.50 -3.662789373e+00 -3.662789373e+00 2.52 -3.745925177e+00 -3.745925177e+00 2.54 -3.814928163e+00 -3.814928163e+00 2.56 -3.871123804e+00 -3.871123804e+00 2.58 -3.915707479e+00 -3.915707479e+00 2.60 -3.949750195e+00 -3.949750195e+00 2.62 -3.974560945e+00 -3.974560945e+00 2.64 -3.991510350e+00 -3.991510350e+00 2.66 -4.000851927e+00 -4.000851927e+00 2.68 -4.002736094e+00 -4.002736094e+00 2.70 -3.997366797e+00 -3.997366797e+00 2.72 -3.985003780e+00 -3.985003780e+00 2.74 -3.965950628e+00 -3.965950628e+00 2.76 -3.940544612e+00 -3.940544612e+00 2.78 -3.909170830e+00 -3.909170830e+00 2.80 -3.872302896e+00 -3.872302896e+00 2.82 -3.830418989e+00 -3.830418989e+00 2.84 -3.783985314e+00 -3.783985314e+00 2.86 -3.733461194e+00 -3.733461194e+00 2.88 -3.679304757e+00 -3.679304757e+00 2.90 -3.621976433e+00 -3.621976433e+00 2.92 -3.561937754e+00 -3.561937754e+00 2.94 -3.499644531e+00 -3.499644531e+00 2.96 -3.435535675e+00 -3.435535675e+00 2.98 -3.370020616e+00 -3.370020616e+00 3.00 -3.303468840e+00 -3.303468840e+00 3.02 -3.236204003e+00 -3.236204003e+00 3.04 -3.168503224e+00 -3.168503224e+00 3.06 -3.100600429e+00 -3.100600429e+00 3.08 -3.032691726e+00 -3.032691726e+00 3.10 -2.964941042e+00 -2.964941042e+00 3.12 -2.897485052e+00 -2.897485052e+00 3.14 -2.830437221e+00 -2.830437221e+00 3.16 -2.763891255e+00 -2.763891255e+00 3.18 -2.697924289e+00 -2.697924289e+00 3.20 -2.632599957e+00 -2.632599957e+00 3.22 -2.567971310e+00 -2.567971310e+00 3.24 -2.504083443e+00 -2.504083443e+00 3.26 -2.440975727e+00 -2.440975727e+00 3.28 -2.378683564e+00 -2.378683564e+00 3.30 -2.317239675e+00 -2.317239675e+00 3.32 -2.256674929e+00 -2.256674929e+00 3.34 -2.197018766e+00 -2.197018766e+00 3.36 -2.138299267e+00 -2.138299267e+00 3.38 -2.080542929e+00 -2.080542929e+00 3.40 -2.023774217e+00 -2.023774217e+00 3.42 -1.968015001e+00 -1.968015001e+00 3.44 -1.913283944e+00 -1.913283944e+00 3.46 -1.859595948e+00 -1.859595948e+00 3.48 -1.806961722e+00 -1.806961722e+00 3.50 -1.755387516e+00 -1.755387516e+00 3.52 -1.704875029e+00 -1.704875029e+00 3.54 -1.655421490e+00 -1.655421490e+00 3.56 -1.607019863e+00 -1.607019863e+00 3.58 -1.559659153e+00 -1.559659153e+00 3.60 -1.513324745e+00 -1.513324745e+00 3.62 -1.467998790e+00 -1.467998790e+00 3.64 -1.423660594e+00 -1.423660594e+00 3.66 -1.380287062e+00 -1.380287062e+00 3.68 -1.337853221e+00 -1.337853221e+00 3.70 -1.296332854e+00 -1.296332854e+00 3.72 -1.255699292e+00 -1.255699292e+00 3.74 -1.215926351e+00 -1.215926351e+00 3.76 -1.176989375e+00 -1.176989375e+00 3.78 -1.138866303e+00 -1.138866303e+00 3.80 -1.101538616e+00 -1.101538616e+00 3.82 -1.064992023e+00 -1.064992023e+00 3.84 -1.029216717e+00 -1.029216717e+00 3.86 -9.942071206e-01 -9.942071206e-01 3.88 -9.599611050e-01 -9.599611050e-01 3.90 -9.264787836e-01 -9.264787836e-01 3.92 -8.937611019e-01 -8.937611019e-01 3.94 -8.618084970e-01 -8.618084970e-01 3.96 -8.306198939e-01 -8.306198939e-01 3.98 -8.001922474e-01 -8.001922474e-01 4.00 -7.705206831e-01 -7.705206831e-01 4.02 -7.415991614e-01 -7.415991614e-01 4.04 -7.134214558e-01 -7.134214558e-01 4.06 -6.859821740e-01 -6.859821740e-01 4.08 -6.592775467e-01 -6.592775467e-01 4.10 -6.333057670e-01 -6.333057670e-01 4.12 -6.080667848e-01 -6.080667848e-01 4.14 -5.835615481e-01 -5.835615481e-01 4.16 -5.597908593e-01 -5.597908593e-01 4.18 -5.367540404e-01 -5.367540404e-01 4.20 -5.144476683e-01 -5.144476683e-01 4.22 -4.928646025e-01 -4.928646025e-01 4.24 -4.719934600e-01 -4.719934600e-01 4.26 -4.518185911e-01 -4.518185911e-01 4.28 -4.323205153e-01 -4.323205153e-01 4.30 -4.134767059e-01 -4.134767059e-01 4.32 -3.952625752e-01 -3.952625752e-01 4.34 -3.776525125e-01 -3.776525125e-01 4.36 -3.606208516e-01 -3.606208516e-01 4.38 -3.441426791e-01 -3.441426791e-01 4.40 -3.281944286e-01 -3.281944286e-01 4.42 -3.127542319e-01 -3.127542319e-01 4.44 -2.978020249e-01 -2.978020249e-01 4.46 -2.833194238e-01 -2.833194238e-01 4.48 -2.692894162e-01 -2.692894162e-01 4.50 -2.556959388e-01 -2.556959388e-01 4.52 -2.425234364e-01 -2.425234364e-01 4.54 -2.297565113e-01 -2.297565113e-01 4.56 -2.173797644e-01 -2.173797644e-01 4.58 -2.053778994e-01 -2.053778994e-01 4.60 -1.937361139e-01 -1.937361139e-01 4.62 -1.824407463e-01 -1.824407463e-01 4.64 -1.714800912e-01 -1.714800912e-01 4.66 -1.608452604e-01 -1.608452604e-01 4.68 -1.505309453e-01 -1.505309453e-01 4.70 -1.405359475e-01 -1.405359475e-01 4.72 -1.308633686e-01 -1.308633686e-01 4.74 -1.215204026e-01 -1.215204026e-01 4.76 -1.125177244e-01 -1.125177244e-01 4.78 -1.038685317e-01 -1.038685317e-01 4.80 -9.558733975e-02 -9.558733975e-02 4.82 -8.768867176e-02 -8.768867176e-02 4.84 -8.018577698e-02 -8.018577698e-02 4.86 -7.308952679e-02 -7.308952679e-02 4.88 -6.640756999e-02 -6.640756999e-02 4.90 -6.014380700e-02 -6.014380700e-02 4.92 -5.429818934e-02 -5.429818934e-02 4.94 -4.886679815e-02 -4.886679815e-02 4.96 -4.384213350e-02 -4.384213350e-02 4.98 -3.921354400e-02 -3.921354400e-02 5.00 -3.496772024e-02 -3.496772024e-02 5.02 -3.108918130e-02 -3.108918130e-02 5.04 -2.756046423e-02 -2.756046423e-02 5.06 -2.436294452e-02 -2.436294452e-02 5.08 -2.147751215e-02 -2.147751215e-02 5.10 -1.888420404e-02 -1.888420404e-02 5.12 -1.656256961e-02 -1.656256961e-02 5.14 -1.449222973e-02 -1.449222973e-02 5.16 -1.265291860e-02 -1.265291860e-02 5.18 -1.102472741e-02 -1.102472741e-02 5.20 -9.588332101e-03 -9.588332101e-03 5.22 -8.325190362e-03 -8.325190362e-03 5.24 -7.217704244e-03 -7.217704244e-03 5.26 -6.249345524e-03 -6.249345524e-03 5.28 -5.404742922e-03 -5.404742922e-03 5.30 -4.669732303e-03 -4.669732303e-03 5.32 -4.031372921e-03 -4.031372921e-03 5.34 -3.477934200e-03 -3.477934200e-03 5.36 -2.998858345e-03 -2.998858345e-03 5.38 -2.584704347e-03 -2.584704347e-03 5.40 -2.227078724e-03 -2.227078724e-03 5.42 -1.918557842e-03 -1.918557842e-03 5.44 -1.652605923e-03 -1.652605923e-03 5.46 -1.423492093e-03 -1.423492093e-03 5.48 -1.226209032e-03 -1.226209032e-03 5.50 -1.056395106e-03 -1.056395106e-03 5.52 -9.102612435e-04 -9.102612435e-04 5.54 -7.845233316e-04 -7.845233316e-04 5.56 -6.763404975e-04 -6.763404975e-04 5.58 -5.832593671e-04 -5.832593671e-04 5.60 -5.031641594e-04 -5.031641594e-04 5.62 -4.342323398e-04 -4.342323398e-04 5.64 -3.748954575e-04 -3.748954575e-04 5.66 -3.238047451e-04 -3.238047451e-04 5.68 -2.798010361e-04 -2.798010361e-04 5.70 -2.418885567e-04 -2.418885567e-04 5.72 -2.092121680e-04 -2.092121680e-04 5.74 -1.810376551e-04 -1.810376551e-04 5.76 -1.567346953e-04 -1.567346953e-04 5.78 -1.357621694e-04 -1.357621694e-04 5.80 -1.176555116e-04 -1.176555116e-04 5.82 -1.020158321e-04 -1.020158321e-04 5.84 -8.850057084e-05 -8.850057084e-05 5.86 -7.681547625e-05 -7.681547625e-05 5.88 -6.670772366e-05 -6.670772366e-05 5.90 -5.796001580e-05 -5.796001580e-05 5.92 -5.038552647e-05 -5.038552647e-05 5.94 -4.382356809e-05 -4.382356809e-05 5.96 -3.813588013e-05 -3.813588013e-05 5.98 -3.320344948e-05 -3.320344948e-05 6.00 -2.892378659e-05 -2.892378659e-05