# 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 = CoPd # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan nan nan nan nan 0.90 nan nan nan nan nan nan nan nan 0.92 nan nan nan nan nan nan nan nan 0.94 nan nan nan nan nan nan nan nan 0.96 nan nan nan nan nan nan nan nan 0.98 nan nan nan nan nan nan nan nan 1.00 nan nan nan nan 2.844086644e+02 2.844086644e+02 nan nan 1.02 nan nan nan nan 2.598562018e+02 2.598562018e+02 nan nan 1.04 nan nan nan nan 2.375107531e+02 2.375107531e+02 nan nan 1.06 nan nan nan nan 2.171468732e+02 2.171468732e+02 nan nan 1.08 nan nan nan nan 1.985656090e+02 1.985656090e+02 nan nan 1.10 nan nan nan nan 1.815926476e+02 1.815926476e+02 nan nan 1.12 2.939882541e+02 2.939882541e+02 nan nan 1.660770082e+02 1.660770082e+02 nan nan 1.14 2.700757428e+02 2.700757428e+02 nan nan 1.518855628e+02 1.518855628e+02 nan nan 1.16 2.481416921e+02 2.481416921e+02 nan nan 1.388947114e+02 1.388947114e+02 nan nan 1.18 2.280038854e+02 2.280038854e+02 nan nan 1.269884348e+02 1.269884348e+02 nan nan 1.20 2.094979975e+02 2.094979975e+02 nan nan 1.160625894e+02 1.160625894e+02 nan nan 1.22 1.924791666e+02 1.924791666e+02 nan nan 1.060267960e+02 1.060267960e+02 nan nan 1.24 1.768196609e+02 1.768196609e+02 nan nan 9.680153842e+01 9.680153842e+01 nan nan 1.26 1.624047144e+02 1.624047144e+02 nan nan 8.831484332e+01 8.831484332e+01 nan nan 1.28 1.491303556e+02 1.491303556e+02 2.236553955e+02 2.236553955e+02 8.050148871e+01 8.050148871e+01 2.437097120e+02 2.437097120e+02 1.30 1.369017954e+02 1.369017954e+02 2.064069217e+02 2.064069217e+02 7.330360595e+01 7.330360595e+01 2.252428480e+02 2.252428480e+02 1.32 1.256309189e+02 1.256309189e+02 1.904621876e+02 1.904621876e+02 6.667044364e+01 6.667044364e+01 2.081517415e+02 2.081517415e+02 1.34 1.152349154e+02 1.152349154e+02 1.757163029e+02 1.757163029e+02 6.058452393e+01 6.058452393e+01 1.923261680e+02 1.923261680e+02 1.36 1.056374622e+02 1.056374622e+02 1.620732280e+02 1.620732280e+02 5.503001471e+01 5.503001471e+01 1.776680993e+02 1.776680993e+02 1.38 9.677042330e+01 9.677042330e+01 1.494440966e+02 1.494440966e+02 4.995774049e+01 4.995774049e+01 1.640883275e+02 1.640883275e+02 1.40 8.857351236e+01 8.857351236e+01 1.377467916e+02 1.377467916e+02 4.532213931e+01 4.532213931e+01 1.515038577e+02 1.515038577e+02 1.42 8.099223028e+01 8.099223028e+01 1.269061322e+02 1.269061322e+02 4.108234470e+01 4.108234470e+01 1.398371042e+02 1.398371042e+02 1.44 7.397620995e+01 7.397620995e+01 1.168542592e+02 1.168542592e+02 3.720259380e+01 3.720259380e+01 1.290161832e+02 1.290161832e+02 1.46 6.747907975e+01 6.747907975e+01 1.075307996e+02 1.075307996e+02 3.365181781e+01 3.365181781e+01 1.189751374e+02 1.189751374e+02 1.48 6.145920686e+01 6.145920686e+01 9.888194077e+01 9.888194077e+01 3.040256677e+01 3.040256677e+01 1.096537341e+02 1.096537341e+02 1.50 5.588007069e+01 5.588007069e+01 9.085841708e+01 9.085841708e+01 2.742981720e+01 2.742981720e+01 1.009969571e+02 1.009969571e+02 1.52 5.071682615e+01 5.071682615e+01 8.341373058e+01 8.341373058e+01 2.471026319e+01 2.471026319e+01 9.295428475e+01 9.295428475e+01 1.54 4.597582318e+01 4.597582318e+01 7.650357057e+01 7.650357057e+01 2.222218745e+01 2.222218745e+01 8.547903198e+01 8.547903198e+01 1.56 4.162841902e+01 4.162841902e+01 7.008608584e+01 7.008608584e+01 1.994558302e+01 1.994558302e+01 7.852807276e+01 7.852807276e+01 1.58 3.764152649e+01 3.764152649e+01 6.412228080e+01 6.412228080e+01 1.786222030e+01 1.786222030e+01 7.206185392e+01 7.206185392e+01 1.60 3.398398919e+01 3.398398919e+01 5.857627282e+01 5.857627282e+01 1.595559427e+01 1.595559427e+01 6.604437430e+01 6.604437430e+01 1.62 3.062738328e+01 3.062738328e+01 5.341550811e+01 5.341550811e+01 1.421083450e+01 1.421083450e+01 6.044296450e+01 6.044296450e+01 1.64 2.754651059e+01 2.754651059e+01 4.861093805e+01 4.861093805e+01 1.261460132e+01 1.261460132e+01 5.522788619e+01 5.522788619e+01 1.66 2.471927670e+01 2.471927670e+01 4.415687993e+01 4.415687993e+01 1.115489672e+01 1.115489672e+01 5.037182866e+01 5.037182866e+01 1.68 2.212604836e+01 2.212604836e+01 4.005121067e+01 4.005121067e+01 9.820773966e+00 9.820773966e+00 4.585703587e+01 4.585703587e+01 1.70 1.974887034e+01 1.974887034e+01 3.626847184e+01 3.626847184e+01 8.602049696e+00 8.602049696e+00 4.168886083e+01 4.168886083e+01 1.72 1.757090951e+01 1.757090951e+01 3.278464408e+01 3.278464408e+01 7.489132365e+00 7.489132365e+00 3.784388433e+01 3.784388433e+01 1.74 1.557624503e+01 1.557624503e+01 2.957689876e+01 2.957689876e+01 6.472990883e+00 6.472990883e+00 3.429722173e+01 3.429722173e+01 1.76 1.374990405e+01 1.374990405e+01 2.662367691e+01 2.662367691e+01 5.545219742e+00 5.545219742e+00 3.102604208e+01 3.102604208e+01 1.78 1.207799271e+01 1.207799271e+01 2.390494790e+01 2.390494790e+01 4.698145579e+00 4.698145579e+00 2.800946315e+01 2.800946315e+01 1.80 1.054780825e+01 1.054780825e+01 2.140243571e+01 2.140243571e+01 3.924911592e+00 3.924911592e+00 2.522831904e+01 2.522831904e+01 1.82 9.147865008e+00 9.147865008e+00 1.909965489e+01 1.909965489e+01 3.219470548e+00 3.219470548e+00 2.266488205e+01 2.266488205e+01 1.84 7.867822737e+00 7.867822737e+00 1.698171557e+01 1.698171557e+01 2.576467593e+00 2.576467593e+00 2.030265224e+01 2.030265224e+01 1.86 6.698354000e+00 6.698354000e+00 1.503498361e+01 1.503498361e+01 1.991070451e+00 1.991070451e+00 1.812628599e+01 1.812628599e+01 1.88 5.630995049e+00 5.630995049e+00 1.324674102e+01 1.324674102e+01 1.458824867e+00 1.458824867e+00 1.612163191e+01 1.612163191e+01 1.90 4.658003106e+00 4.658003106e+00 1.160497361e+01 1.160497361e+01 9.755755640e-01 9.755755640e-01 1.427575686e+01 1.427575686e+01 1.92 3.772225005e+00 3.772225005e+00 1.009833803e+01 1.009833803e+01 5.374472846e-01 5.374472846e-01 1.257686858e+01 1.257686858e+01 1.94 2.966981158e+00 2.966981158e+00 8.716261160e+00 8.716261160e+00 1.408524695e-01 1.408524695e-01 1.101414916e+01 1.101414916e+01 1.96 2.235976467e+00 2.235976467e+00 7.449053313e+00 7.449053313e+00 -2.175108872e-01 -2.175108872e-01 9.577584852e+00 9.577584852e+00 1.98 1.573251874e+00 1.573251874e+00 6.287927050e+00 6.287927050e+00 -5.406850666e-01 -5.406850666e-01 8.257854724e+00 8.257854724e+00 2.00 9.731795945e-01 9.731795945e-01 5.224898722e+00 5.224898722e+00 -8.314886868e-01 -8.314886868e-01 7.046281279e+00 7.046281279e+00 2.02 4.304901946e-01 4.304901946e-01 4.252636364e+00 4.252636364e+00 -1.092577108e+00 -1.092577108e+00 5.934813465e+00 5.934813465e+00 2.04 -5.968755623e-02 -5.968755623e-02 3.364331122e+00 3.364331122e+00 -1.326477240e+00 -1.326477240e+00 4.916012332e+00 4.916012332e+00 2.06 -5.017950606e-01 -5.017950606e-01 2.553622558e+00 2.553622558e+00 -1.535365668e+00 -1.535365668e+00 3.983022001e+00 3.983022001e+00 2.08 -8.998434476e-01 -8.998434476e-01 1.814564910e+00 1.814564910e+00 -1.721292502e+00 -1.721292502e+00 3.129523440e+00 3.129523440e+00 2.10 -1.257457660e+00 -1.257457660e+00 1.141612129e+00 1.141612129e+00 -1.886209331e+00 -1.886209331e+00 2.349679518e+00 2.349679518e+00 2.12 -1.577951129e+00 -1.577951129e+00 5.296089145e-01 5.296089145e-01 -2.032690376e+00 -2.032690376e+00 1.638081314e+00 1.638081314e+00 2.14 -1.864395435e+00 -1.864395435e+00 -2.621641162e-02 -2.621641162e-02 -2.162430181e+00 -2.162430181e+00 9.897005390e-01 9.897005390e-01 2.16 -2.119657592e+00 -2.119657592e+00 -5.302580937e-01 -5.302580937e-01 -2.276435732e+00 -2.276435732e+00 3.998500371e-01 3.998500371e-01 2.18 -2.346406343e+00 -2.346406343e+00 -9.865396418e-01 -9.865396418e-01 -2.375611968e+00 -2.375611968e+00 -1.358455936e-01 -1.358455936e-01 2.20 -2.547108511e+00 -2.547108511e+00 -1.398724560e+00 -1.398724560e+00 -2.460719821e+00 -2.460719821e+00 -6.214688970e-01 -6.214688970e-01 2.22 -2.724031078e+00 -2.724031078e+00 -1.770135308e+00 -1.770135308e+00 -2.532496000e+00 -2.532496000e+00 -1.060821578e+00 -1.060821578e+00 2.24 -2.879247195e+00 -2.879247195e+00 -2.103781991e+00 -2.103781991e+00 -2.591651598e+00 -2.591651598e+00 -1.457435545e+00 -1.457435545e+00 2.26 -3.014655770e+00 -3.014655770e+00 -2.402398343e+00 -2.402398343e+00 -2.638922297e+00 -2.638922297e+00 -1.814587827e+00 -1.814587827e+00 2.28 -3.132035701e+00 -3.132035701e+00 -2.668480842e+00 -2.668480842e+00 -2.675108970e+00 -2.675108970e+00 -2.135320773e+00 -2.135320773e+00 2.30 -3.232805000e+00 -3.232805000e+00 -2.904327698e+00 -2.904327698e+00 -2.700970397e+00 -2.700970397e+00 -2.422464768e+00 -2.422464768e+00 2.32 -3.318225014e+00 -3.318225014e+00 -3.112075880e+00 -3.112075880e+00 -2.717223308e+00 -2.717223308e+00 -2.678658721e+00 -2.678658721e+00 2.34 -3.389468946e+00 -3.389468946e+00 -3.293734874e+00 -3.293734874e+00 -2.724554534e+00 -2.724554534e+00 -2.906365301e+00 -2.906365301e+00 2.36 -3.447997849e+00 -3.447997849e+00 -3.451215656e+00 -3.451215656e+00 -2.723630370e+00 -2.723630370e+00 -3.107881475e+00 -3.107881475e+00 2.38 -3.495439871e+00 -3.495439871e+00 -3.586353289e+00 -3.586353289e+00 -2.715104030e+00 -2.715104030e+00 -3.285346246e+00 -3.285346246e+00 2.40 -3.532364751e+00 -3.532364751e+00 -3.700922297e+00 -3.700922297e+00 -2.699622454e+00 -2.699622454e+00 -3.440746061e+00 -3.440746061e+00 2.42 -3.559352662e+00 -3.559352662e+00 -3.796645360e+00 -3.796645360e+00 -2.677833452e+00 -2.677833452e+00 -3.575917281e+00 -3.575917281e+00 2.44 -3.576912626e+00 -3.576912626e+00 -3.875200120e+00 -3.875200120e+00 -2.650392883e+00 -2.650392883e+00 -3.692546450e+00 -3.692546450e+00 2.46 -3.585562002e+00 -3.585562002e+00 -3.938307430e+00 -3.938307430e+00 -2.617969711e+00 -2.617969711e+00 -3.792170965e+00 -3.792170965e+00 2.48 -3.585849372e+00 -3.585849372e+00 -3.987479763e+00 -3.987479763e+00 -2.581245397e+00 -2.581245397e+00 -3.876183316e+00 -3.876183316e+00 2.50 -3.578335517e+00 -3.578335517e+00 -4.024102040e+00 -4.024102040e+00 -2.540904742e+00 -2.540904742e+00 -3.945917955e+00 -3.945917955e+00 2.52 -3.563649648e+00 -3.563649648e+00 -4.049495686e+00 -4.049495686e+00 -2.497618435e+00 -2.497618435e+00 -4.002473222e+00 -4.002473222e+00 2.54 -3.542428432e+00 -3.542428432e+00 -4.064962809e+00 -4.064962809e+00 -2.452021498e+00 -2.452021498e+00 -4.046760119e+00 -4.046760119e+00 2.56 -3.515239244e+00 -3.515239244e+00 -4.072365924e+00 -4.072365924e+00 -2.404693454e+00 -2.404693454e+00 -4.079614035e+00 -4.079614035e+00 2.58 -3.482584307e+00 -3.482584307e+00 -4.072527772e+00 -4.072527772e+00 -2.356143798e+00 -2.356143798e+00 -4.101814229e+00 -4.101814229e+00 2.60 -3.444910762e+00 -3.444910762e+00 -4.065921993e+00 -4.065921993e+00 -2.306802268e+00 -2.306802268e+00 -4.114675575e+00 -4.114675575e+00 2.62 -3.402623548e+00 -3.402623548e+00 -4.052887456e+00 -4.052887456e+00 -2.257011770e+00 -2.257011770e+00 -4.119014606e+00 -4.119014606e+00 2.64 -3.356099503e+00 -3.356099503e+00 -4.033719833e+00 -4.033719833e+00 -2.207023928e+00 -2.207023928e+00 -4.115155819e+00 -4.115155819e+00 2.66 -3.305701419e+00 -3.305701419e+00 -4.008715683e+00 -4.008715683e+00 -2.157000263e+00 -2.157000263e+00 -4.103427499e+00 -4.103427499e+00 2.68 -3.251791033e+00 -3.251791033e+00 -3.978157080e+00 -3.978157080e+00 -2.107021825e+00 -2.107021825e+00 -4.084138486e+00 -4.084138486e+00 2.70 -3.194739663e+00 -3.194739663e+00 -3.942332630e+00 -3.942332630e+00 -2.057106748e+00 -2.057106748e+00 -4.057685821e+00 -4.057685821e+00 2.72 -3.134935028e+00 -3.134935028e+00 -3.901603719e+00 -3.901603719e+00 -2.007231767e+00 -2.007231767e+00 -4.024545037e+00 -4.024545037e+00 2.74 -3.072782800e+00 -3.072782800e+00 -3.856319499e+00 -3.856319499e+00 -1.957353013e+00 -1.957353013e+00 -3.985254715e+00 -3.985254715e+00 2.76 -3.008702282e+00 -3.008702282e+00 -3.806804391e+00 -3.806804391e+00 -1.907423174e+00 -1.907423174e+00 -3.940466011e+00 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-3.529517143e+00 2.92 -2.473045861e+00 -2.473045861e+00 -3.297217547e+00 -3.297217547e+00 -1.507466496e+00 -1.507466496e+00 -3.463253810e+00 -3.463253810e+00 2.94 -2.407617876e+00 -2.407617876e+00 -3.224716532e+00 -3.224716532e+00 -1.458979344e+00 -1.458979344e+00 -3.396155478e+00 -3.396155478e+00 2.96 -2.343096336e+00 -2.343096336e+00 -3.151564750e+00 -3.151564750e+00 -1.411454216e+00 -1.411454216e+00 -3.328422145e+00 -3.328422145e+00 2.98 -2.279532520e+00 -2.279532520e+00 -3.078136610e+00 -3.078136610e+00 -1.365094863e+00 -1.365094863e+00 -3.260215501e+00 -3.260215501e+00 3.00 -2.216949949e+00 -2.216949949e+00 -3.004772965e+00 -3.004772965e+00 -1.320077604e+00 -1.320077604e+00 -3.191667925e+00 -3.191667925e+00 3.02 -2.155352999e+00 -2.155352999e+00 -2.931773857e+00 -2.931773857e+00 -1.276543561e+00 -1.276543561e+00 -3.122890430e+00 -3.122890430e+00 3.04 -2.094733833e+00 -2.094733833e+00 -2.859394729e+00 -2.859394729e+00 -1.234594911e+00 -1.234594911e+00 -3.053979549e+00 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