# 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 = PdTa2W # 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 4.362780733e+02 4.362780733e+02 1.30 4.047689775e+02 4.047689775e+02 1.32 3.755834536e+02 3.755834536e+02 1.34 3.485457452e+02 3.485457452e+02 1.36 3.234921729e+02 3.234921729e+02 1.38 3.002679381e+02 3.002679381e+02 1.40 2.787265450e+02 2.787265450e+02 1.42 2.587311292e+02 2.587311292e+02 1.44 2.401560121e+02 2.401560121e+02 1.46 2.228871921e+02 2.228871921e+02 1.48 2.068216602e+02 2.068216602e+02 1.50 1.918661907e+02 1.918661907e+02 1.52 1.779362209e+02 1.779362209e+02 1.54 1.649550358e+02 1.649550358e+02 1.56 1.528531512e+02 1.528531512e+02 1.58 1.415676945e+02 1.415676945e+02 1.60 1.310416804e+02 1.310416804e+02 1.62 1.212232180e+02 1.212232180e+02 1.64 1.120647703e+02 1.120647703e+02 1.66 1.035225592e+02 1.035225592e+02 1.68 9.555612050e+01 9.555612050e+01 1.70 8.812792110e+01 8.812792110e+01 1.72 8.120293720e+01 8.120293720e+01 1.74 7.474817972e+01 7.474817972e+01 1.76 6.873225432e+01 6.873225432e+01 1.78 6.312507016e+01 6.312507016e+01 1.80 5.789775919e+01 5.789775919e+01 1.82 5.302279423e+01 5.302279423e+01 1.84 4.847423490e+01 4.847423490e+01 1.86 4.422800230e+01 4.422800230e+01 1.88 4.026208611e+01 4.026208611e+01 1.90 3.655661639e+01 3.655661639e+01 1.92 3.309386936e+01 3.309386936e+01 1.94 2.986434873e+01 2.986434873e+01 1.96 2.685720046e+01 2.685720046e+01 1.98 2.406041935e+01 2.406041935e+01 2.00 2.147371444e+01 2.147371444e+01 2.02 1.908505469e+01 1.908505469e+01 2.04 1.688049375e+01 1.688049375e+01 2.06 1.484652461e+01 1.484652461e+01 2.08 1.297016994e+01 1.297016994e+01 2.10 1.123911217e+01 1.123911217e+01 2.12 9.641821056e+00 9.641821056e+00 2.14 8.167655625e+00 8.167655625e+00 2.16 6.806927897e+00 6.806927897e+00 2.18 5.550919935e+00 5.550919935e+00 2.20 4.391848931e+00 4.391848931e+00 2.22 3.322782564e+00 3.322782564e+00 2.24 2.337515857e+00 2.337515857e+00 2.26 1.430427529e+00 1.430427529e+00 2.28 5.963360895e-01 5.963360895e-01 2.30 -1.696258681e-01 -1.696258681e-01 2.32 -8.721050785e-01 -8.721050785e-01 2.34 -1.515580604e+00 -1.515580604e+00 2.36 -2.104375603e+00 -2.104375603e+00 2.38 -2.642635027e+00 -2.642635027e+00 2.40 -3.134283366e+00 -3.134283366e+00 2.42 -3.582980013e+00 -3.582980013e+00 2.44 -3.992087783e+00 -3.992087783e+00 2.46 -4.364663037e+00 -4.364663037e+00 2.48 -4.703466672e+00 -4.703466672e+00 2.50 -5.010988436e+00 -5.010988436e+00 2.52 -5.289475345e+00 -5.289475345e+00 2.54 -5.540958164e+00 -5.540958164e+00 2.56 -5.767274561e+00 -5.767274561e+00 2.58 -5.970090454e+00 -5.970090454e+00 2.60 -6.150921111e+00 -6.150921111e+00 2.62 -6.311139905e+00 -6.311139905e+00 2.64 -6.451937673e+00 -6.451937673e+00 2.66 -6.574366488e+00 -6.574366488e+00 2.68 -6.679697356e+00 -6.679697356e+00 2.70 -6.769158889e+00 -6.769158889e+00 2.72 -6.843875677e+00 -6.843875677e+00 2.74 -6.904877007e+00 -6.904877007e+00 2.76 -6.953103556e+00 -6.953103556e+00 2.78 -6.989413601e+00 -6.989413601e+00 2.80 -7.014589295e+00 -7.014589295e+00 2.82 -7.029178241e+00 -7.029178241e+00 2.84 -7.033254772e+00 -7.033254772e+00 2.86 -7.026881226e+00 -7.026881226e+00 2.88 -7.010195402e+00 -7.010195402e+00 2.90 -6.983403838e+00 -6.983403838e+00 2.92 -6.946774911e+00 -6.946774911e+00 2.94 -6.900630088e+00 -6.900630088e+00 2.96 -6.845332469e+00 -6.845332469e+00 2.98 -6.781274413e+00 -6.781274413e+00 3.00 -6.709219821e+00 -6.709219821e+00 3.02 -6.629619386e+00 -6.629619386e+00 3.04 -6.542583252e+00 -6.542583252e+00 3.06 -6.448259337e+00 -6.448259337e+00 3.08 -6.346820399e+00 -6.346820399e+00 3.10 -6.238453974e+00 -6.238453974e+00 3.12 -6.123356715e+00 -6.123356715e+00 3.14 -6.001760092e+00 -6.001760092e+00 3.16 -5.873944843e+00 -5.873944843e+00 3.18 -5.740193345e+00 -5.740193345e+00 3.20 -5.600801281e+00 -5.600801281e+00 3.22 -5.456096889e+00 -5.456096889e+00 3.24 -5.306459241e+00 -5.306459241e+00 3.26 -5.152333439e+00 -5.152333439e+00 3.28 -4.994240812e+00 -4.994240812e+00 3.30 -4.832782567e+00 -4.832782567e+00 3.32 -4.668636080e+00 -4.668636080e+00 3.34 -4.502543835e+00 -4.502543835e+00 3.36 -4.335295901e+00 -4.335295901e+00 3.38 -4.167707555e+00 -4.167707555e+00 3.40 -4.000594078e+00 -4.000594078e+00 3.42 -3.834744792e+00 -3.834744792e+00 3.44 -3.670898252e+00 -3.670898252e+00 3.46 -3.509720093e+00 -3.509720093e+00 3.48 -3.351784703e+00 -3.351784703e+00 3.50 -3.197561581e+00 -3.197561581e+00 3.52 -3.047407035e+00 -3.047407035e+00 3.54 -2.901561641e+00 -2.901561641e+00 3.56 -2.760153685e+00 -2.760153685e+00 3.58 -2.623208445e+00 -2.623208445e+00 3.60 -2.490662784e+00 -2.490662784e+00 3.62 -2.362384142e+00 -2.362384142e+00 3.64 -2.238192610e+00 -2.238192610e+00 3.66 -2.117884561e+00 -2.117884561e+00 3.68 -2.001256148e+00 -2.001256148e+00 3.70 -1.888125008e+00 -1.888125008e+00 3.72 -1.778348625e+00 -1.778348625e+00 3.74 -1.671838037e+00 -1.671838037e+00 3.76 -1.568565912e+00 -1.568565912e+00 3.78 -1.468568443e+00 -1.468568443e+00 3.80 -1.371941003e+00 -1.371941003e+00 3.82 -1.278828114e+00 -1.278828114e+00 3.84 -1.189408775e+00 -1.189408775e+00 3.86 -1.103878727e+00 -1.103878727e+00 3.88 -1.022431512e+00 -1.022431512e+00 3.90 -9.452402591e-01 -9.452402591e-01 3.92 -8.724419769e-01 -8.724419769e-01 3.94 -8.041256983e-01 -8.041256983e-01 3.96 -7.403252754e-01 -7.403252754e-01 3.98 -6.810170017e-01 -6.810170017e-01 4.00 -6.261216639e-01 -6.261216639e-01 4.02 -5.755101906e-01 -5.755101906e-01 4.04 -5.290118009e-01 -5.290118009e-01 4.06 -4.864234802e-01 -4.864234802e-01 4.08 -4.475196944e-01 -4.475196944e-01 4.10 -4.120614581e-01 -4.120614581e-01 4.12 -3.798041478e-01 -3.798041478e-01 4.14 -3.505037315e-01 -3.505037315e-01 4.16 -3.239213725e-01 -3.239213725e-01 4.18 -2.998265524e-01 -2.998265524e-01 4.20 -2.779990006e-01 -2.779990006e-01 4.22 -2.582297635e-01 -2.582297635e-01 4.24 -2.403217242e-01 -2.403217242e-01 4.26 -2.240898165e-01 -2.240898165e-01 4.28 -2.093610895e-01 -2.093610895e-01 4.30 -1.959747007e-01 -1.959747007e-01 4.32 -1.837818439e-01 -1.837818439e-01 4.34 -1.726456152e-01 -1.726456152e-01 4.36 -1.624407863e-01 -1.624407863e-01 4.38 -1.530534693e-01 -1.530534693e-01 4.40 -1.443806556e-01 -1.443806556e-01 4.42 -1.363296751e-01 -1.363296751e-01 4.44 -1.288175777e-01 -1.288175777e-01 4.46 -1.217704480e-01 -1.217704480e-01 4.48 -1.151230137e-01 -1.151230137e-01 4.50 -1.088177180e-01 -1.088177180e-01 4.52 -1.028047511e-01 -1.028047511e-01 4.54 -9.704124606e-02 -9.704124606e-02 4.56 -9.149088718e-02 -9.149088718e-02 4.58 -8.612368968e-02 -8.612368968e-02 4.60 -8.091582339e-02 -8.091582339e-02 4.62 -7.584945816e-02 -7.584945816e-02 4.64 -7.091259759e-02 -7.091259759e-02 4.66 -6.609885854e-02 -6.609885854e-02 4.68 -6.140715106e-02 -6.140715106e-02 4.70 -5.684121735e-02 -5.684121735e-02 4.72 -5.240900083e-02 -5.240900083e-02 4.74 -4.812183158e-02 -4.812183158e-02 4.76 -4.399344291e-02 -4.399344291e-02 4.78 -4.003887072e-02 -4.003887072e-02 4.80 -3.627329090e-02 -3.627329090e-02 4.82 -3.271088313e-02 -3.271088313e-02 4.84 -2.936381425e-02 -2.936381425e-02 4.86 -2.624140320e-02 -2.624140320e-02 4.88 -2.334954052e-02 -2.334954052e-02 4.90 -2.069039217e-02 -2.069039217e-02 4.92 -1.826238018e-02 -1.826238018e-02 4.94 -1.606010043e-02 -1.606010043e-02 4.96 -1.407534145e-02 -1.407534145e-02 4.98 -1.229761107e-02 -1.229761107e-02 5.00 -1.071437312e-02 -1.071437312e-02 5.02 -9.311697964e-03 -9.311697964e-03 5.04 -8.074868341e-03 -8.074868341e-03 5.06 -6.988909397e-03 -6.988909397e-03 5.08 -6.039026203e-03 -6.039026203e-03 5.10 -5.210944084e-03 -5.210944084e-03 5.12 -4.491155919e-03 -4.491155919e-03 5.14 -3.867086314e-03 -3.867086314e-03 5.16 -3.327185545e-03 -3.327185545e-03 5.18 -2.860967092e-03 -2.860967092e-03 5.20 -2.459002055e-03 -2.459002055e-03 5.22 -2.112882345e-03 -2.112882345e-03 5.24 -1.815162732e-03 -1.815162732e-03 5.26 -1.559289897e-03 -1.559289897e-03 5.28 -1.339524811e-03 -1.339524811e-03 5.30 -1.150863149e-03 -1.150863149e-03 5.32 -9.889570923e-04 -9.889570923e-04 5.34 -8.500407640e-04 -8.500407640e-04 5.36 -7.308607142e-04 -7.308607142e-04 5.38 -6.286122032e-04 -6.286122032e-04 5.40 -5.408815919e-04 -5.408815919e-04 5.42 -4.655948114e-04 -4.655948114e-04 5.44 -4.009716731e-04 -4.009716731e-04 5.46 -3.454856450e-04 -3.454856450e-04 5.48 -2.978286488e-04 -2.978286488e-04 5.50 -2.568803997e-04 -2.568803997e-04 5.52 -2.216818098e-04 -2.216818098e-04 5.54 -1.914119930e-04 -1.914119930e-04 5.56 -1.653684377e-04 -1.653684377e-04 5.58 -1.429499503e-04 -1.429499503e-04 5.60 -1.236420081e-04 -1.236420081e-04 5.62 -1.070042012e-04 -1.070042012e-04 5.64 -9.265947816e-05 -9.265947816e-05 5.66 -8.028494451e-05 -8.028494451e-05 5.68 -6.960399655e-05 -6.960399655e-05 5.70 -6.037959991e-05 -6.037959991e-05 5.72 -5.240854848e-05 -5.240854848e-05 5.74 -4.551656231e-05 -4.551656231e-05 5.76 -3.955410209e-05 -3.955410209e-05 5.78 -3.439279584e-05 -3.439279584e-05 5.80 -2.992238803e-05 -2.992238803e-05 5.82 -2.604813440e-05 -2.604813440e-05 5.84 -2.268857700e-05 -2.268857700e-05 5.86 -1.977364338e-05 -1.977364338e-05 5.88 -1.724302233e-05 -1.724302233e-05 5.90 -1.504477537e-05 -1.504477537e-05 5.92 -1.313414941e-05 -1.313414941e-05 5.94 -1.147256094e-05 -1.147256094e-05 5.96 -1.002672660e-05 -1.002672660e-05 5.98 -8.767918794e-06 -8.767918794e-06 6.00 -7.671327940e-06 -7.671327940e-06