# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd # 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 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan 3.787070612e+06 3.787070612e+06 3.780178736e+06 3.780178736e+06 nan nan 0.70 nan nan nan nan 3.377193528e+06 3.377193528e+06 3.370942674e+06 3.370942674e+06 nan nan 0.72 nan nan nan nan 3.012367365e+06 3.012367365e+06 3.006717726e+06 3.006717726e+06 nan nan 0.74 nan nan nan nan 2.686627659e+06 2.686627659e+06 2.681553948e+06 2.681553948e+06 nan nan 0.76 nan nan nan nan 2.394988015e+06 2.394988015e+06 2.390435823e+06 2.390435823e+06 nan nan 0.78 3.861927864e+06 3.861927864e+06 nan nan 2.133178144e+06 2.133178144e+06 2.129075419e+06 2.129075419e+06 nan nan 0.80 3.494209897e+06 3.494209897e+06 nan nan 1.897548107e+06 1.897548107e+06 1.893818574e+06 1.893818574e+06 nan nan 0.82 3.162095537e+06 3.162095537e+06 nan nan 1.684991016e+06 1.684991016e+06 1.681562575e+06 1.681562575e+06 nan nan 0.84 2.861438727e+06 2.861438727e+06 nan nan 1.492775381e+06 1.492775381e+06 1.489620828e+06 1.489620828e+06 nan nan 0.86 2.588601695e+06 2.588601695e+06 3.698655765e+06 3.698655765e+06 1.318551680e+06 1.318551680e+06 1.315683229e+06 1.315683229e+06 nan nan 0.88 2.340508986e+06 2.340508986e+06 3.373938311e+06 3.373938311e+06 1.160321746e+06 1.160321746e+06 1.157753975e+06 1.157753975e+06 3.611857783e+06 3.611857783e+06 0.90 2.114504110e+06 2.114504110e+06 3.077956249e+06 3.077956249e+06 1.016354977e+06 1.016354977e+06 1.014050729e+06 1.014050729e+06 3.300012264e+06 3.300012264e+06 0.92 1.908222215e+06 1.908222215e+06 2.807651955e+06 2.807651955e+06 8.851180400e+05 8.851180400e+05 8.830399862e+05 8.830399862e+05 3.015147904e+06 3.015147904e+06 0.94 1.719603463e+06 1.719603463e+06 2.560330384e+06 2.560330384e+06 7.652733503e+05 7.652733503e+05 7.633979334e+05 7.633979334e+05 2.754444071e+06 2.754444071e+06 0.96 1.546833681e+06 1.546833681e+06 2.333608704e+06 2.333608704e+06 6.556328962e+05 6.556328962e+05 6.539434416e+05 6.539434416e+05 2.515429030e+06 2.515429030e+06 0.98 1.388306831e+06 1.388306831e+06 2.125446579e+06 2.125446579e+06 5.551743734e+05 5.551743734e+05 5.536333023e+05 5.536333023e+05 2.295933001e+06 2.295933001e+06 1.00 1.242641468e+06 1.242641468e+06 1.934013169e+06 1.934013169e+06 4.629878951e+05 4.629878951e+05 4.615672515e+05 4.615672515e+05 2.094052612e+06 2.094052612e+06 1.02 1.108559723e+06 1.108559723e+06 1.757707495e+06 1.757707495e+06 3.782608948e+05 3.782608948e+05 3.769510260e+05 3.769510260e+05 1.908096616e+06 1.908096616e+06 1.04 9.849713574e+05 9.849713574e+05 1.595067460e+06 1.595067460e+06 3.002777287e+05 3.002777287e+05 2.990816555e+05 2.990816555e+05 1.736565909e+06 1.736565909e+06 1.06 8.708917650e+05 8.708917650e+05 1.444809727e+06 1.444809727e+06 2.295400838e+05 2.295400838e+05 2.285275789e+05 2.285275789e+05 1.578114802e+06 1.578114802e+06 1.08 7.654542021e+05 7.654542021e+05 1.305831991e+06 1.305831991e+06 1.735578939e+05 1.735578939e+05 1.728118022e+05 1.728118022e+05 1.431538198e+06 1.431538198e+06 1.10 6.678757103e+05 6.678757103e+05 1.177112103e+06 1.177112103e+06 1.315878314e+05 1.315878314e+05 1.310406340e+05 1.310406340e+05 1.295751451e+06 1.295751451e+06 1.12 5.774650908e+05 5.774650908e+05 1.057755567e+06 1.057755567e+06 1.000251322e+05 1.000251322e+05 9.962592831e+04 9.962592831e+04 1.169803405e+06 1.169803405e+06 1.14 4.936154749e+05 4.936154749e+05 9.469576190e+05 9.469576190e+05 7.621695991e+04 7.621695991e+04 7.592893567e+04 7.592893567e+04 1.052849249e+06 1.052849249e+06 1.16 4.157715815e+05 4.157715815e+05 8.439726012e+05 8.439726012e+05 5.820238688e+04 5.820238688e+04 5.800045926e+04 5.800045926e+04 9.441202712e+05 9.441202712e+05 1.18 3.434200674e+05 3.434200674e+05 7.481563064e+05 7.481563064e+05 4.453825238e+04 4.453825238e+04 4.439716402e+04 4.439716402e+04 8.429326615e+05 8.429326615e+05 1.20 2.761253887e+05 2.761253887e+05 6.589213160e+05 6.589213160e+05 3.414997528e+04 3.414997528e+04 3.404944281e+04 3.404944281e+04 7.486640986e+05 7.486640986e+05 1.22 2.157871061e+05 2.157871061e+05 5.757374863e+05 5.757374863e+05 2.623398341e+04 2.623398341e+04 2.616021172e+04 2.616021172e+04 6.607486193e+05 6.607486193e+05 1.24 1.681464270e+05 1.681464270e+05 4.980919171e+05 4.980919171e+05 2.018589745e+04 2.018589745e+04 2.013164488e+04 2.013164488e+04 5.786743331e+05 5.786743331e+05 1.26 1.312582099e+05 1.312582099e+05 4.255543227e+05 4.255543227e+05 1.555580922e+04 1.555580922e+04 1.551588413e+04 1.551588413e+04 5.019862088e+05 5.019862088e+05 1.28 1.026372650e+05 1.026372650e+05 3.577346544e+05 3.577346544e+05 1.200496544e+04 1.200496544e+04 1.197512585e+04 1.197512585e+04 4.302696111e+05 4.302696111e+05 1.30 8.038748163e+04 8.038748163e+04 2.942723333e+05 2.942723333e+05 9.277386622e+03 9.277386622e+03 9.254601676e+03 9.254601676e+03 3.631436237e+05 3.631436237e+05 1.32 6.304774798e+04 6.304774798e+04 2.355662359e+05 2.355662359e+05 7.178394007e+03 7.178394007e+03 7.160851086e+03 7.160851086e+03 3.002612841e+05 3.002612841e+05 1.34 4.950621538e+04 4.950621538e+04 1.867604678e+05 1.867604678e+05 5.560312039e+03 5.560312039e+03 5.546936591e+03 5.546936591e+03 2.417612172e+05 2.417612172e+05 1.36 3.891590250e+04 3.891590250e+04 1.482708767e+05 1.482708767e+05 4.310983086e+03 4.310983086e+03 4.300967775e+03 4.300967775e+03 1.923102532e+05 1.923102532e+05 1.38 3.062235664e+04 3.062235664e+04 1.178682449e+05 1.178682449e+05 3.345277634e+03 3.345277634e+03 3.337906728e+03 3.337906728e+03 1.531846066e+05 1.531846066e+05 1.40 2.411935477e+04 2.411935477e+04 9.381718742e+04 9.381718742e+04 2.598060162e+03 2.598060162e+03 2.592641766e+03 2.592641766e+03 1.221753597e+05 1.221753597e+05 1.42 1.901404762e+04 1.901404762e+04 7.475992155e+04 7.475992155e+04 2.019353085e+03 2.019353085e+03 2.015349473e+03 2.015349473e+03 9.756236794e+04 9.756236794e+04 1.44 1.500136826e+04 1.500136826e+04 5.963301788e+04 5.963301788e+04 1.570649165e+03 1.570649165e+03 1.567749939e+03 1.567749939e+03 7.799576762e+04 7.799576762e+04 1.46 1.184398977e+04 1.184398977e+04 4.760985909e+04 4.760985909e+04 1.222434584e+03 1.222434584e+03 1.220419920e+03 1.220419920e+03 6.241423599e+04 6.241423599e+04 1.48 9.357184990e+03 9.357184990e+03 3.804288245e+04 3.804288245e+04 9.520201090e+02 9.520201090e+02 9.506752929e+02 9.506752929e+02 4.998953858e+04 4.998953858e+04 1.50 7.396594374e+03 7.396594374e+03 3.042173914e+04 3.042173914e+04 7.418648999e+02 7.418648999e+02 7.410070449e+02 7.410070449e+02 4.006923278e+04 4.006923278e+04 1.52 5.849156970e+03 5.849156970e+03 2.434412833e+04 2.434412833e+04 5.784177619e+02 5.784177619e+02 5.779245496e+02 5.779245496e+02 3.213971763e+04 3.213971763e+04 1.54 4.626979928e+03 4.626979928e+03 1.949303707e+04 1.949303707e+04 4.512377518e+02 4.512377518e+02 4.510028178e+02 4.510028178e+02 2.579522274e+04 2.579522274e+04 1.56 3.660875777e+03 3.660875777e+03 1.561761691e+04 1.561761691e+04 3.522339807e+02 3.522339807e+02 3.521712856e+02 3.521712856e+02 2.071444472e+04 2.071444472e+04 1.58 2.896774482e+03 2.896774482e+03 1.251870224e+04 1.251870224e+04 2.751208415e+02 2.751208415e+02 2.751503924e+02 2.751503924e+02 1.664205771e+04 1.664205771e+04 1.60 2.292227679e+03 2.292227679e+03 1.003748977e+04 1.003748977e+04 2.149937107e+02 2.149937107e+02 2.150723204e+02 2.150723204e+02 1.337524878e+04 1.337524878e+04 1.62 1.813776211e+03 1.813776211e+03 8.049640524e+03 8.049640524e+03 1.680931352e+02 1.680931352e+02 1.681944331e+02 1.681944331e+02 1.075283523e+04 1.075283523e+04 1.64 1.434875717e+03 1.434875717e+03 6.456281325e+03 6.456281325e+03 1.314974950e+02 1.314974950e+02 1.316041323e+02 1.316041323e+02 8.646194440e+03 8.646194440e+03 1.66 1.134728701e+03 1.134728701e+03 5.178597331e+03 5.178597331e+03 1.029312405e+02 1.029312405e+02 1.030279727e+02 1.030279727e+02 6.953100795e+03 6.953100795e+03 1.68 8.969767972e+02 8.969767972e+02 4.153709066e+03 4.153709066e+03 8.062182258e+01 8.062182258e+01 8.070028497e+01 8.070028497e+01 5.591761390e+03 5.591761390e+03 1.70 7.086689782e+02 7.086689782e+02 3.331392371e+03 3.331392371e+03 6.318815948e+01 6.318815948e+01 6.324524432e+01 6.324524432e+01 4.496735809e+03 4.496735809e+03 1.72 5.595400473e+02 5.595400473e+02 2.671471766e+03 2.671471766e+03 4.955327093e+01 4.955327093e+01 4.958845186e+01 4.958845186e+01 3.615727220e+03 3.615727220e+03 1.74 4.414436785e+02 4.414436785e+02 2.141662214e+03 2.141662214e+03 3.887250799e+01 3.887250799e+01 3.888780478e+01 3.888780478e+01 2.906755590e+03 2.906755590e+03 1.76 3.479480524e+02 3.479480524e+02 1.716256243e+03 1.716256243e+03 3.049417586e+01 3.049417586e+01 3.049313616e+01 3.049313616e+01 2.336028258e+03 2.336028258e+03 1.78 2.739597127e+02 2.739597127e+02 1.374701005e+03 1.374701005e+03 2.391216695e+01 2.391216695e+01 2.389831483e+01 2.389831483e+01 1.876580702e+03 1.876580702e+03 1.80 2.154240628e+02 2.154240628e+02 1.100457338e+03 1.100457338e+03 1.873063361e+01 1.873063361e+01 1.870749704e+01 1.870749704e+01 1.506722810e+03 1.506722810e+03 1.82 1.691082937e+02 1.691082937e+02 8.801882140e+02 8.801882140e+02 1.464002107e+01 1.464002107e+01 1.461134891e+01 1.461134891e+01 1.208959704e+03 1.208959704e+03 1.84 1.324875535e+02 1.324875535e+02 7.033316530e+02 7.033316530e+02 1.140151457e+01 1.140151457e+01 1.136983648e+01 1.136983648e+01 9.692579844e+02 9.692579844e+02 1.86 1.035563164e+02 1.035563164e+02 5.613973263e+02 5.613973263e+02 8.828783545e+00 8.828783545e+00 8.795786358e+00 8.795786358e+00 7.763656989e+02 7.763656989e+02 1.88 8.071965780e+01 8.071965780e+01 4.475500079e+02 4.475500079e+02 6.776427343e+00 6.776427343e+00 6.743278880e+00 6.743278880e+00 6.212067881e+02 6.212067881e+02 1.90 6.270967833e+01 6.270967833e+01 3.562606260e+02 3.562606260e+02 5.131094127e+00 5.131094127e+00 5.098586545e+00 5.098586545e+00 4.964655470e+02 4.964655470e+02 1.92 4.851874459e+01 4.851874459e+01 2.830947490e+02 2.830947490e+02 3.804593231e+00 3.804593231e+00 3.773227474e+00 3.773227474e+00 3.962394536e+02 3.962394536e+02 1.94 3.734700622e+01 3.734700622e+01 2.245036738e+02 2.245036738e+02 2.728306019e+00 2.728306019e+00 2.698370116e+00 2.698370116e+00 3.157648238e+02 3.157648238e+02 1.96 2.855979190e+01 2.855979190e+01 1.776272226e+02 1.776272226e+02 1.848897123e+00 1.848897123e+00 1.820527789e+00 1.820527789e+00 2.511969048e+02 2.511969048e+02 1.98 2.165378671e+01 2.165378671e+01 1.401621642e+02 1.401621642e+02 1.124911413e+00 1.124911413e+00 1.098147289e+00 1.098147289e+00 1.994186902e+02 1.994186902e+02 2.00 1.622835417e+01 1.622835417e+01 1.102525220e+02 1.102525220e+02 5.241700999e-01 5.241700999e-01 4.989853391e-01 4.989853391e-01 1.579223248e+02 1.579223248e+02 2.02 1.196771129e+01 1.196771129e+01 8.640321018e+01 8.640321018e+01 2.171236691e-02 2.171236691e-02 -1.958716891e-03 -1.958716891e-03 1.247010086e+02 1.247010086e+02 2.04 8.624066357e+00 8.624066357e+00 6.741046841e+01 6.741046841e+01 -4.018183844e-01 -4.018183844e-01 -4.240563603e-01 -4.240563603e-01 9.813543015e+01 9.813543015e+01 2.06 6.001333460e+00 6.001333460e+00 5.230566751e+01 5.230566751e+01 -7.614358716e-01 -7.614358716e-01 -7.823353921e-01 -7.823353921e-01 7.691689947e+01 7.691689947e+01 2.08 3.944572563e+00 3.944572563e+00 4.030989884e+01 4.030989884e+01 -1.068795351e+00 -1.068795351e+00 -1.088459350e+00 -1.088459350e+00 5.998566577e+01 5.998566577e+01 2.10 2.331552411e+00 2.331552411e+00 3.079704396e+01 3.079704396e+01 -1.332960606e+00 -1.332960606e+00 -1.351470677e+00 -1.351470677e+00 4.649473050e+01 4.649473050e+01 2.12 1.066013116e+00 1.066013116e+00 2.326425142e+01 2.326425142e+01 -1.560978135e+00 -1.560978135e+00 -1.578398284e+00 -1.578398284e+00 3.576044096e+01 3.576044096e+01 2.14 7.228949437e-02 7.228949437e-02 1.730808134e+01 1.730808134e+01 -1.758344924e+00 -1.758344924e+00 -1.774740394e+00 -1.774740394e+00 2.723369109e+01 2.723369109e+01 2.16 -7.089764446e-01 -7.089764446e-01 1.260393249e+01 1.260393249e+01 -1.929335418e+00 -1.929335418e+00 -1.944790699e+00 -1.944790699e+00 2.047250934e+01 2.047250934e+01 2.18 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