# 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 = Ni2WZr # 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 2.325286775e+02 2.325286775e+02 1.30 2.141295979e+02 2.141295979e+02 1.32 1.971648111e+02 1.971648111e+02 1.34 1.815132271e+02 1.815132271e+02 1.36 1.670647067e+02 1.670647067e+02 1.38 1.537197812e+02 1.537197812e+02 1.40 1.413886667e+02 1.413886667e+02 1.42 1.299899667e+02 1.299899667e+02 1.44 1.194495718e+02 1.194495718e+02 1.46 1.096999241e+02 1.096999241e+02 1.48 1.006794924e+02 1.006794924e+02 1.50 9.233217279e+01 9.233217279e+01 1.52 8.460675795e+01 8.460675795e+01 1.54 7.745659722e+01 7.745659722e+01 1.56 7.083933192e+01 7.083933192e+01 1.58 6.471649286e+01 6.471649286e+01 1.60 5.905294354e+01 5.905294354e+01 1.62 5.381633737e+01 5.381633737e+01 1.64 4.897669211e+01 4.897669211e+01 1.66 4.450601740e+01 4.450601740e+01 1.68 4.037795935e+01 4.037795935e+01 1.70 3.656757557e+01 3.656757557e+01 1.72 3.305113720e+01 3.305113720e+01 1.74 2.980601624e+01 2.980601624e+01 1.76 2.681067503e+01 2.681067503e+01 1.78 2.404481741e+01 2.404481741e+01 1.80 2.148959528e+01 2.148959528e+01 1.82 1.912780555e+01 1.912780555e+01 1.84 1.694440345e+01 1.694440345e+01 1.86 1.492649865e+01 1.492649865e+01 1.88 1.306185949e+01 1.306185949e+01 1.90 1.133968031e+01 1.133968031e+01 1.92 9.750355758e+00 9.750355758e+00 1.94 8.285193994e+00 8.285193994e+00 1.96 6.936119545e+00 6.936119545e+00 1.98 5.695506349e+00 5.695506349e+00 2.00 4.556101089e+00 4.556101089e+00 2.02 3.510975190e+00 3.510975190e+00 2.04 2.553477131e+00 2.553477131e+00 2.06 1.677183043e+00 1.677183043e+00 2.08 8.758586744e-01 8.758586744e-01 2.10 1.434697045e-01 1.434697045e-01 2.12 -5.257596331e-01 -5.257596331e-01 2.14 -1.137253827e+00 -1.137253827e+00 2.16 -1.695981031e+00 -1.695981031e+00 2.18 -2.206394555e+00 -2.206394555e+00 2.20 -2.672429430e+00 -2.672429430e+00 2.22 -3.097565629e+00 -3.097565629e+00 2.24 -3.484908984e+00 -3.484908984e+00 2.26 -3.837264529e+00 -3.837264529e+00 2.28 -4.157205423e+00 -4.157205423e+00 2.30 -4.447096809e+00 -4.447096809e+00 2.32 -4.709159484e+00 -4.709159484e+00 2.34 -4.945474687e+00 -4.945474687e+00 2.36 -5.158008980e+00 -5.158008980e+00 2.38 -5.348600765e+00 -5.348600765e+00 2.40 -5.518943050e+00 -5.518943050e+00 2.42 -5.670579110e+00 -5.670579110e+00 2.44 -5.804907365e+00 -5.804907365e+00 2.46 -5.923156570e+00 -5.923156570e+00 2.48 -6.026469220e+00 -6.026469220e+00 2.50 -6.116003282e+00 -6.116003282e+00 2.52 -6.192798847e+00 -6.192798847e+00 2.54 -6.257774153e+00 -6.257774153e+00 2.56 -6.311728205e+00 -6.311728205e+00 2.58 -6.355413751e+00 -6.355413751e+00 2.60 -6.389388066e+00 -6.389388066e+00 2.62 -6.414075289e+00 -6.414075289e+00 2.64 -6.429721133e+00 -6.429721133e+00 2.66 -6.436506313e+00 -6.436506313e+00 2.68 -6.434686665e+00 -6.434686665e+00 2.70 -6.424595398e+00 -6.424595398e+00 2.72 -6.406593398e+00 -6.406593398e+00 2.74 -6.380913658e+00 -6.380913658e+00 2.76 -6.347818302e+00 -6.347818302e+00 2.78 -6.307626218e+00 -6.307626218e+00 2.80 -6.260688843e+00 -6.260688843e+00 2.82 -6.207354815e+00 -6.207354815e+00 2.84 -6.147965293e+00 -6.147965293e+00 2.86 -6.082847839e+00 -6.082847839e+00 2.88 -6.012323930e+00 -6.012323930e+00 2.90 -5.936724876e+00 -5.936724876e+00 2.92 -5.856405022e+00 -5.856405022e+00 2.94 -5.771752985e+00 -5.771752985e+00 2.96 -5.683198494e+00 -5.683198494e+00 2.98 -5.591213370e+00 -5.591213370e+00 3.00 -5.496306137e+00 -5.496306137e+00 3.02 -5.398968164e+00 -5.398968164e+00 3.04 -5.299537578e+00 -5.299537578e+00 3.06 -5.198348146e+00 -5.198348146e+00 3.08 -5.095730093e+00 -5.095730093e+00 3.10 -4.992005405e+00 -4.992005405e+00 3.12 -4.887465832e+00 -4.887465832e+00 3.14 -4.782370041e+00 -4.782370041e+00 3.16 -4.676926932e+00 -4.676926932e+00 3.18 -4.571303431e+00 -4.571303431e+00 3.20 -4.465625201e+00 -4.465625201e+00 3.22 -4.359982651e+00 -4.359982651e+00 3.24 -4.254439592e+00 -4.254439592e+00 3.26 -4.149043896e+00 -4.149043896e+00 3.28 -4.043838974e+00 -4.043838974e+00 3.30 -3.938874488e+00 -3.938874488e+00 3.32 -3.834214761e+00 -3.834214761e+00 3.34 -3.729944023e+00 -3.729944023e+00 3.36 -3.626168542e+00 -3.626168542e+00 3.38 -3.523016456e+00 -3.523016456e+00 3.40 -3.420635116e+00 -3.420635116e+00 3.42 -3.319193892e+00 -3.319193892e+00 3.44 -3.218873479e+00 -3.218873479e+00 3.46 -3.119867739e+00 -3.119867739e+00 3.48 -3.022376997e+00 -3.022376997e+00 3.50 -2.926601370e+00 -2.926601370e+00 3.52 -2.832732970e+00 -2.832732970e+00 3.54 -2.740947739e+00 -2.740947739e+00 3.56 -2.651397840e+00 -2.651397840e+00 3.58 -2.564205467e+00 -2.564205467e+00 3.60 -2.479458722e+00 -2.479458722e+00 3.62 -2.397209902e+00 -2.397209902e+00 3.64 -2.317476202e+00 -2.317476202e+00 3.66 -2.240242617e+00 -2.240242617e+00 3.68 -2.165466662e+00 -2.165466662e+00 3.70 -2.093084438e+00 -2.093084438e+00 3.72 -2.023017573e+00 -2.023017573e+00 3.74 -1.955180533e+00 -1.955180533e+00 3.76 -1.889487832e+00 -1.889487832e+00 3.78 -1.825860611e+00 -1.825860611e+00 3.80 -1.764232021e+00 -1.764232021e+00 3.82 -1.704550860e+00 -1.704550860e+00 3.84 -1.646782943e+00 -1.646782943e+00 3.86 -1.590909915e+00 -1.590909915e+00 3.88 -1.536925559e+00 -1.536925559e+00 3.90 -1.484830072e+00 -1.484830072e+00 3.92 -1.434621253e+00 -1.434621253e+00 3.94 -1.386296078e+00 -1.386296078e+00 3.96 -1.339831932e+00 -1.339831932e+00 3.98 -1.295192408e+00 -1.295192408e+00 4.00 -1.252323680e+00 -1.252323680e+00 4.02 -1.211155582e+00 -1.211155582e+00 4.04 -1.171604353e+00 -1.171604353e+00 4.06 -1.133576327e+00 -1.133576327e+00 4.08 -1.096971871e+00 -1.096971871e+00 4.10 -1.061684847e+00 -1.061684847e+00 4.12 -1.027623218e+00 -1.027623218e+00 4.14 -9.946836845e-01 -9.946836845e-01 4.16 -9.627728470e-01 -9.627728470e-01 4.18 -9.318031064e-01 -9.318031064e-01 4.20 -9.016933624e-01 -9.016933624e-01 4.22 -8.723694848e-01 -8.723694848e-01 4.24 -8.437647039e-01 -8.437647039e-01 4.26 -8.158200319e-01 -8.158200319e-01 4.28 -7.884847860e-01 -7.884847860e-01 4.30 -7.617172335e-01 -7.617172335e-01 4.32 -7.354853374e-01 -7.354853374e-01 4.34 -7.097675228e-01 -7.097675228e-01 4.36 -6.845533459e-01 -6.845533459e-01 4.38 -6.598439025e-01 -6.598439025e-01 4.40 -6.356518001e-01 -6.356518001e-01 4.42 -6.120005227e-01 -6.120005227e-01 4.44 -5.889230648e-01 -5.889230648e-01 4.46 -5.664597947e-01 -5.664597947e-01 4.48 -5.446556180e-01 -5.446556180e-01 4.50 -5.235566362e-01 -5.235566362e-01 4.52 -5.032065998e-01 -5.032065998e-01 4.54 -4.836435165e-01 -4.836435165e-01 4.56 -4.648967725e-01 -4.648967725e-01 4.58 -4.469850555e-01 -4.469850555e-01 4.60 -4.299152487e-01 -4.299152487e-01 4.62 -4.136823208e-01 -4.136823208e-01 4.64 -3.982701071e-01 -3.982701071e-01 4.66 -3.836527754e-01 -3.836527754e-01 4.68 -3.697967278e-01 -3.697967278e-01 4.70 -3.566626851e-01 -3.566626851e-01 4.72 -3.442077282e-01 -3.442077282e-01 4.74 -3.323869067e-01 -3.323869067e-01 4.76 -3.211554284e-01 -3.211554284e-01 4.78 -3.104696024e-01 -3.104696024e-01 4.80 -3.002843714e-01 -3.002843714e-01 4.82 -2.905672099e-01 -2.905672099e-01 4.84 -2.812777141e-01 -2.812777141e-01 4.86 -2.723822990e-01 -2.723822990e-01 4.88 -2.638503640e-01 -2.638503640e-01 4.90 -2.556541785e-01 -2.556541785e-01 4.92 -2.477686960e-01 -2.477686960e-01 4.94 -2.401713263e-01 -2.401713263e-01 4.96 -2.328416887e-01 -2.328416887e-01 4.98 -2.257613637e-01 -2.257613637e-01 5.00 -2.189136537e-01 -2.189136537e-01 5.02 -2.122833606e-01 -2.122833606e-01 5.04 -2.058565842e-01 -2.058565842e-01 5.06 -1.996205445e-01 -1.996205445e-01 5.08 -1.935634295e-01 -1.935634295e-01 5.10 -1.876742678e-01 -1.876742678e-01 5.12 -1.819428276e-01 -1.819428276e-01 5.14 -1.763595422e-01 -1.763595422e-01 5.16 -1.709154604e-01 -1.709154604e-01 5.18 -1.656022242e-01 -1.656022242e-01 5.20 -1.604120726e-01 -1.604120726e-01 5.22 -1.553378700e-01 -1.553378700e-01 5.24 -1.503731603e-01 -1.503731603e-01 5.26 -1.455122419e-01 -1.455122419e-01 5.28 -1.407502604e-01 -1.407502604e-01 5.30 -1.360833124e-01 -1.360833124e-01 5.32 -1.315085513e-01 -1.315085513e-01 5.34 -1.270242830e-01 -1.270242830e-01 5.36 -1.226300375e-01 -1.226300375e-01 5.38 -1.183266015e-01 -1.183266015e-01 5.40 -1.141159957e-01 -1.141159957e-01 5.42 -1.100013852e-01 -1.100013852e-01 5.44 -1.059869150e-01 -1.059869150e-01 5.46 -1.020774701e-01 -1.020774701e-01 5.48 -9.827836985e-02 -9.827836985e-02 5.50 -9.459501428e-02 -9.459501428e-02 5.52 -9.103250967e-02 -9.103250967e-02 5.54 -8.759530402e-02 -8.759530402e-02 5.56 -8.428686425e-02 -8.428686425e-02 5.58 -8.110942234e-02 -8.110942234e-02 5.60 -7.806370865e-02 -7.806370865e-02 5.62 -7.514903149e-02 -7.514903149e-02 5.64 -7.236340576e-02 -7.236340576e-02 5.66 -6.970347188e-02 -6.970347188e-02 5.68 -6.716466941e-02 -6.716466941e-02 5.70 -6.474145087e-02 -6.474145087e-02 5.72 -6.242751246e-02 -6.242751246e-02 5.74 -6.021602224e-02 -6.021602224e-02 5.76 -5.809983092e-02 -5.809983092e-02 5.78 -5.607165565e-02 -5.607165565e-02 5.80 -5.412423180e-02 -5.412423180e-02 5.82 -5.225043205e-02 -5.225043205e-02 5.84 -5.044335469e-02 -5.044335469e-02 5.86 -4.869638527e-02 -4.869638527e-02 5.88 -4.700323651e-02 -4.700323651e-02 5.90 -4.535797184e-02 -4.535797184e-02 5.92 -4.375501793e-02 -4.375501793e-02 5.94 -4.218917074e-02 -4.218917074e-02 5.96 -4.065559942e-02 -4.065559942e-02 5.98 -3.914985147e-02 -3.914985147e-02 6.00 -3.766786181e-02 -3.766786181e-02