# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 # composition = AgH2Pd # 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 2022-05-24 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 1.350957926e+01 1.350957926e+01 1.60 1.235108961e+01 1.235108961e+01 1.62 1.130728847e+01 1.130728847e+01 1.64 1.029962672e+01 1.029962672e+01 1.66 9.330289707e+00 9.330289707e+00 1.68 8.417488046e+00 8.417488046e+00 1.70 7.553205406e+00 7.553205406e+00 1.72 6.726056425e+00 6.726056425e+00 1.74 5.947349709e+00 5.947349709e+00 1.76 5.227583265e+00 5.227583265e+00 1.78 4.571080547e+00 4.571080547e+00 1.80 3.967173022e+00 3.967173022e+00 1.82 3.400117235e+00 3.400117235e+00 1.84 2.868306604e+00 2.868306604e+00 1.86 2.374711418e+00 2.374711418e+00 1.88 1.927685828e+00 1.927685828e+00 1.90 1.516707597e+00 1.516707597e+00 1.92 1.133436012e+00 1.133436012e+00 1.94 7.689719364e-01 7.689719364e-01 1.96 4.184801248e-01 4.184801248e-01 1.98 8.181099518e-02 8.181099518e-02 2.00 -2.337537798e-01 -2.337537798e-01 2.02 -5.295953216e-01 -5.295953216e-01 2.04 -8.103876653e-01 -8.103876653e-01 2.06 -1.075654001e+00 -1.075654001e+00 2.08 -1.324842662e+00 -1.324842662e+00 2.10 -1.547510891e+00 -1.547510891e+00 2.12 -1.744640575e+00 -1.744640575e+00 2.14 -1.918900974e+00 -1.918900974e+00 2.16 -2.074647599e+00 -2.074647599e+00 2.18 -2.212935737e+00 -2.212935737e+00 2.20 -2.334857670e+00 -2.334857670e+00 2.22 -2.441504373e+00 -2.441504373e+00 2.24 -2.533966792e+00 -2.533966792e+00 2.26 -2.613344650e+00 -2.613344650e+00 2.28 -2.680761453e+00 -2.680761453e+00 2.30 -2.737481205e+00 -2.737481205e+00 2.32 -2.784978768e+00 -2.784978768e+00 2.34 -2.822983215e+00 -2.822983215e+00 2.36 -2.852298482e+00 -2.852298482e+00 2.38 -2.873534552e+00 -2.873534552e+00 2.40 -2.887241924e+00 -2.887241924e+00 2.42 -2.893924721e+00 -2.893924721e+00 2.44 -2.892419682e+00 -2.892419682e+00 2.46 -2.877010338e+00 -2.877010338e+00 2.48 -2.850151144e+00 -2.850151144e+00 2.50 -2.815669923e+00 -2.815669923e+00 2.52 -2.777293710e+00 -2.777293710e+00 2.54 -2.737946169e+00 -2.737946169e+00 2.56 -2.699360051e+00 -2.699360051e+00 2.58 -2.662719302e+00 -2.662719302e+00 2.60 -2.626604913e+00 -2.626604913e+00 2.62 -2.587209648e+00 -2.587209648e+00 2.64 -2.545194985e+00 -2.545194985e+00 2.66 -2.500565279e+00 -2.500565279e+00 2.68 -2.453520579e+00 -2.453520579e+00 2.70 -2.401823025e+00 -2.401823025e+00 2.72 -2.346814553e+00 -2.346814553e+00 2.74 -2.289832504e+00 -2.289832504e+00 2.76 -2.232325858e+00 -2.232325858e+00 2.78 -2.175585871e+00 -2.175585871e+00 2.80 -2.120391168e+00 -2.120391168e+00 2.82 -2.065411067e+00 -2.065411067e+00 2.84 -2.010300023e+00 -2.010300023e+00 2.86 -1.955284370e+00 -1.955284370e+00 2.88 -1.900570251e+00 -1.900570251e+00 2.90 -1.846347008e+00 -1.846347008e+00 2.92 -1.792789493e+00 -1.792789493e+00 2.94 -1.740057854e+00 -1.740057854e+00 2.96 -1.688294942e+00 -1.688294942e+00 2.98 -1.637622444e+00 -1.637622444e+00 3.00 -1.588137153e+00 -1.588137153e+00 3.02 -1.539908328e+00 -1.539908328e+00 3.04 -1.492976252e+00 -1.492976252e+00 3.06 -1.447353694e+00 -1.447353694e+00 3.08 -1.403030619e+00 -1.403030619e+00 3.10 -1.359893003e+00 -1.359893003e+00 3.12 -1.317055929e+00 -1.317055929e+00 3.14 -1.274497662e+00 -1.274497662e+00 3.16 -1.232555478e+00 -1.232555478e+00 3.18 -1.191638743e+00 -1.191638743e+00 3.20 -1.152194788e+00 -1.152194788e+00 3.22 -1.114681882e+00 -1.114681882e+00 3.24 -1.079555827e+00 -1.079555827e+00 3.26 -1.047276023e+00 -1.047276023e+00 3.28 -1.018016099e+00 -1.018016099e+00 3.30 -9.892797272e-01 -9.892797272e-01 3.32 -9.612583496e-01 -9.612583496e-01 3.34 -9.339464822e-01 -9.339464822e-01 3.36 -9.073464776e-01 -9.073464776e-01 3.38 -8.814632345e-01 -8.814632345e-01 3.40 -8.563021323e-01 -8.563021323e-01 3.42 -8.318660663e-01 -8.318660663e-01 3.44 -8.081522060e-01 -8.081522060e-01 3.46 -7.851494047e-01 -7.851494047e-01 3.48 -7.628371106e-01 -7.628371106e-01 3.50 -7.411861354e-01 -7.411861354e-01 3.52 -7.201609744e-01 -7.201609744e-01 3.54 -6.997228876e-01 -6.997228876e-01 3.56 -6.798328863e-01 -6.798328863e-01 3.58 -6.604540245e-01 -6.604540245e-01 3.60 -6.415527771e-01 -6.415527771e-01 3.62 -6.230996024e-01 -6.230996024e-01 3.64 -6.050689390e-01 -6.050689390e-01 3.66 -5.874388696e-01 -5.874388696e-01 3.68 -5.701906612e-01 -5.701906612e-01 3.70 -5.533080342e-01 -5.533080342e-01 3.72 -5.367758939e-01 -5.367758939e-01 3.74 -5.205799855e-01 -5.205799855e-01 3.76 -5.047069480e-01 -5.047069480e-01 3.78 -4.891443956e-01 -4.891443956e-01 3.80 -4.738809775e-01 -4.738809775e-01 3.82 -4.589064472e-01 -4.589064472e-01 3.84 -4.442117109e-01 -4.442117109e-01 3.86 -4.297888920e-01 -4.297888920e-01 3.88 -4.156313564e-01 -4.156313564e-01 3.90 -4.017337688e-01 -4.017337688e-01 3.92 -3.880920933e-01 -3.880920933e-01 3.94 -3.747036190e-01 -3.747036190e-01 3.96 -3.615669493e-01 -3.615669493e-01 3.98 -3.486819679e-01 -3.486819679e-01 4.00 -3.360498071e-01 -3.360498071e-01 4.02 -3.236727601e-01 -3.236727601e-01 4.04 -3.115541868e-01 -3.115541868e-01 4.06 -2.996983851e-01 -2.996983851e-01 4.08 -2.881104201e-01 -2.881104201e-01 4.10 -2.767959225e-01 -2.767959225e-01 4.12 -2.657608603e-01 -2.657608603e-01 4.14 -2.550112685e-01 -2.550112685e-01 4.16 -2.445529347e-01 -2.445529347e-01 4.18 -2.343910949e-01 -2.343910949e-01 4.20 -2.245300824e-01 -2.245300824e-01 4.22 -2.149729923e-01 -2.149729923e-01 4.24 -2.057213480e-01 -2.057213480e-01 4.26 -1.967748314e-01 -1.967748314e-01 4.28 -1.881310519e-01 -1.881310519e-01 4.30 -1.797854345e-01 -1.797854345e-01 4.32 -1.717312076e-01 -1.717312076e-01 4.34 -1.639596106e-01 -1.639596106e-01 4.36 -1.564602587e-01 -1.564602587e-01 4.38 -1.492030931e-01 -1.492030931e-01 4.40 -1.419389259e-01 -1.419389259e-01 4.42 -1.346271186e-01 -1.346271186e-01 4.44 -1.273241369e-01 -1.273241369e-01 4.46 -1.200999644e-01 -1.200999644e-01 4.48 -1.130354755e-01 -1.130354755e-01 4.50 -1.062203103e-01 -1.062203103e-01 4.52 -9.975176552e-02 -9.975176552e-02 4.54 -9.373460506e-02 -9.373460506e-02 4.56 -8.828217505e-02 -8.828217505e-02 4.58 -8.351840741e-02 -8.351840741e-02 4.60 -7.958071705e-02 -7.958071705e-02 4.62 -7.662327163e-02 -7.662327163e-02 4.64 -7.445094902e-02 -7.445094902e-02 4.66 -7.191423491e-02 -7.191423491e-02 4.68 -6.870287836e-02 -6.870287836e-02 4.70 -6.481886113e-02 -6.481886113e-02 4.72 -6.040345784e-02 -6.040345784e-02 4.74 -5.561447399e-02 -5.561447399e-02 4.76 -5.061831962e-02 -5.061831962e-02 4.78 -4.558220483e-02 -4.558220483e-02 4.80 -4.066652575e-02 -4.066652575e-02 4.82 -3.601835811e-02 -3.601835811e-02 4.84 -3.176583985e-02 -3.176583985e-02 4.86 -2.801394262e-02 -2.801394262e-02 4.88 -2.484140853e-02 -2.484140853e-02 4.90 -2.229793095e-02 -2.229793095e-02 4.92 -2.040443071e-02 -2.040443071e-02 4.94 -1.915374678e-02 -1.915374678e-02 4.96 -1.844438428e-02 -1.844438428e-02 4.98 -1.782901451e-02 -1.782901451e-02 5.00 -1.723471183e-02 -1.723471183e-02 5.02 -1.666129690e-02 -1.666129690e-02 5.04 -1.610879463e-02 -1.610879463e-02 5.06 -1.553865454e-02 -1.553865454e-02 5.08 -1.473035222e-02 -1.473035222e-02 5.10 -1.367984744e-02 -1.367984744e-02 5.12 -1.243145103e-02 -1.243145103e-02 5.14 -1.103649439e-02 -1.103649439e-02 5.16 -9.550950125e-03 -9.550950125e-03 5.18 -8.033353209e-03 -8.033353209e-03 5.20 -6.539002285e-03 -6.539002285e-03 5.22 -5.120903930e-03 -5.120903930e-03 5.24 -3.827453732e-03 -3.827453732e-03 5.26 -2.699853843e-03 -2.699853843e-03 5.28 -1.770479916e-03 -1.770479916e-03 5.30 -1.061715547e-03 -1.061715547e-03 5.32 -5.851907177e-04 -5.851907177e-04 5.34 -3.413262788e-04 -3.413262788e-04 5.36 -2.920899296e-04 -2.920899296e-04 5.38 -2.691547781e-04 -2.691547781e-04 5.40 -2.467942545e-04 -2.467942545e-04 5.42 -2.249738425e-04 -2.249738425e-04 5.44 -2.037405760e-04 -2.037405760e-04 5.46 -1.831617088e-04 -1.831617088e-04 5.48 -1.633231763e-04 -1.633231763e-04 5.50 -1.443265178e-04 -1.443265178e-04 5.52 -1.262840573e-04 -1.262840573e-04 5.54 -1.093123662e-04 -1.093123662e-04 5.56 -9.352431348e-05 -9.352431348e-05 5.58 -7.902034272e-05 -7.902034272e-05 5.60 -6.587988154e-05 -6.587988154e-05 5.62 -5.415393671e-05 -5.415393671e-05 5.64 -4.385988281e-05 -4.385988281e-05 5.66 -3.497915392e-05 -3.497915392e-05 5.68 -2.745812786e-05 -2.745812786e-05 5.70 -2.121199794e-05 -2.121199794e-05 5.72 -1.613096568e-05 -1.613096568e-05 5.74 -1.208783450e-05 -1.208783450e-05 5.76 -8.946010138e-06 -8.946010138e-06 5.78 -6.567020638e-06 -6.567020638e-06 5.80 -4.816919083e-06 -4.816919083e-06 5.82 -3.571209946e-06 -3.571209946e-06 5.84 -2.718210779e-06 -2.718210779e-06 5.86 -2.160961041e-06 -2.160961041e-06 5.88 -1.817907036e-06 -1.817907036e-06 5.90 -1.622658447e-06 -1.622658447e-06 5.92 -1.523103071e-06 -1.523103071e-06 5.94 -1.480126954e-06 -1.480126954e-06 5.96 -1.466148246e-06 -1.466148246e-06 5.98 -1.463572344e-06 -1.463572344e-06 6.00 -1.463525000e-06 -1.463525000e-06