# 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 = CuPd3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 2.141334946e+06 nan nan 0.80 1.942301695e+06 nan nan 0.82 1.762420459e+06 nan nan 0.84 1.599457224e+06 nan nan 0.86 1.451471719e+06 2.056893678e+06 nan 0.88 1.316800862e+06 1.881188579e+06 2.098358064e+06 0.90 1.194004368e+06 1.720914750e+06 1.923652596e+06 0.92 1.081817191e+06 1.574434525e+06 1.763961515e+06 0.94 9.791479466e+05 1.440308741e+06 1.617739870e+06 0.96 8.850313860e+05 1.317263718e+06 1.483599879e+06 0.98 7.985995922e+05 1.204204501e+06 1.360325400e+06 1.00 7.190993492e+05 1.100160081e+06 1.246846799e+06 1.02 6.458554646e+05 1.004276687e+06 1.142239054e+06 1.04 5.782785961e+05 9.157592849e+05 1.045673468e+06 1.06 5.158423604e+05 8.339206191e+05 9.563884780e+05 1.08 4.580877307e+05 7.581639652e+05 8.737261304e+05 1.10 4.045873186e+05 6.879365649e+05 7.970806241e+05 1.12 3.549716102e+05 6.227604682e+05 7.259332342e+05 1.14 3.088997973e+05 5.622061961e+05 6.598085152e+05 1.16 2.660730525e+05 5.058691376e+05 5.982828467e+05 1.18 2.262157576e+05 4.533960443e+05 5.409771186e+05 1.20 1.890840954e+05 4.044786923e+05 4.875366399e+05 1.22 1.544604081e+05 3.588338389e+05 4.376536737e+05 1.24 1.231864514e+05 3.161867933e+05 3.910475691e+05 1.26 9.663595666e+04 2.763044973e+05 3.474503198e+05 1.28 7.578413889e+04 2.389759404e+05 3.066322882e+05 1.30 5.951901150e+04 2.040128876e+05 2.683863771e+05 1.32 4.680506862e+04 1.712297642e+05 2.325168877e+05 1.34 3.685113587e+04 1.406226702e+05 1.988476081e+05 1.36 2.904704519e+04 1.134748891e+05 1.672239193e+05 1.38 2.291949538e+04 9.069862970e+04 1.376923118e+05 1.40 1.810023407e+04 7.258636609e+04 1.115048544e+05 1.42 1.430558703e+04 5.816104330e+04 8.966746100e+04 1.44 1.131477552e+04 4.665272436e+04 7.219506100e+04 1.46 8.955186626e+03 3.745890675e+04 5.819407858e+04 1.48 7.091646110e+03 3.010471672e+04 4.695925657e+04 1.50 5.618075310e+03 2.421480148e+04 3.793122528e+04 1.52 4.451760713e+03 1.949279703e+04 3.066346082e+04 1.54 3.528008033e+03 1.570333268e+04 2.480661197e+04 1.56 2.796103939e+03 1.265892673e+04 2.008235257e+04 1.58 2.216011355e+03 1.021003493e+04 1.626797821e+04 1.60 1.756110511e+03 8.237676702e+03 1.318518410e+04 1.62 1.391300699e+03 6.648156147e+03 1.069167599e+04 1.64 1.101851842e+03 5.366567099e+03 8.673033525e+03 1.66 8.722133859e+02 4.332785704e+03 7.037718903e+03 1.68 6.900530856e+02 3.498519356e+03 5.712225318e+03 1.70 5.455864900e+02 2.825032823e+03 4.637326746e+03 1.72 4.310447813e+02 2.281208531e+03 3.765212897e+03 1.74 3.402580863e+02 1.841996338e+03 3.057370067e+03 1.76 2.683170643e+02 1.487217710e+03 2.482703683e+03 1.78 2.113153328e+02 1.200552209e+03 2.016032238e+03 1.80 1.661597746e+02 9.688263985e+02 1.636917711e+03 1.82 1.304084725e+02 7.814337749e+02 1.328750741e+03 1.84 1.021215910e+02 6.299183609e+02 1.078252960e+03 1.86 7.975539116e+01 5.074429285e+02 8.746489861e+02 1.88 6.208083978e+01 4.084712543e+02 7.091802694e+02 1.90 4.812314854e+01 3.285194266e+02 5.747171258e+02 1.92 3.710708460e+01 2.639476486e+02 4.654587215e+02 1.94 2.841784843e+01 2.118166730e+02 3.767032233e+02 1.96 2.156772998e+01 1.697472800e+02 3.046252266e+02 1.98 1.616940418e+01 1.358151030e+02 2.461105509e+02 2.00 1.191600052e+01 1.084599528e+02 1.986239588e+02 2.02 8.563154934e+00 8.641874879e+01 1.601015944e+02 2.04 5.920525101e+00 6.866946641e+01 1.288537591e+02 2.06 3.837867570e+00 5.438448534e+01 1.034932269e+02 2.08 2.196325902e+00 4.289376218e+01 8.292276410e+01 2.10 9.020249976e-01 3.365138444e+01 6.624932807e+01 2.12 -1.190547202e-01 2.622014226e+01 5.274409990e+01 2.14 -9.251753089e-01 2.024800228e+01 4.181261148e+01 2.16 -1.562114290e+00 1.544848562e+01 3.297027571e+01 2.18 -2.065773729e+00 1.159285730e+01 2.582234300e+01 2.20 -2.464229434e+00 8.496986711e+00 2.004741954e+01 2.22 -2.779426045e+00 6.012272764e+00 1.538398438e+01 2.24 -3.028501074e+00 4.018714497e+00 1.161975917e+01 2.26 -3.224817552e+00 2.419534126e+00 8.582328958e+00 2.28 -3.378786441e+00 1.136790895e+00 6.132041520e+00 2.30 -3.498500013e+00 1.078055776e-01 4.155712417e+00 2.32 -3.590230498e+00 -7.177520516e-01 2.561702189e+00 2.34 -3.658903423e+00 -1.380229342e+00 1.275907229e+00 2.36 -3.708337142e+00 -1.911908670e+00 2.384817344e-01 2.38 -3.741524349e+00 -2.338591653e+00 -5.988408246e-01 2.40 -3.760863748e+00 -2.680871628e+00 -1.274937861e+00 2.42 -3.768229968e+00 -2.955160483e+00 -1.821189394e+00 2.44 -3.765149219e+00 -3.174519951e+00 -2.262594293e+00 2.46 -3.752895275e+00 -3.349333570e+00 -2.619139143e+00 2.48 -3.732529039e+00 -3.487848913e+00 -2.906877723e+00 2.50 -3.704946171e+00 -3.596611925e+00 -3.138690397e+00 2.52 -3.670903337e+00 -3.680807454e+00 -3.324893655e+00 2.54 -3.631078422e+00 -3.744564780e+00 -3.473716748e+00 2.56 -3.586079388e+00 -3.791174570e+00 -3.591749544e+00 2.58 -3.536457103e+00 -3.823266046e+00 -3.684271494e+00 2.60 -3.482717052e+00 -3.842949776e+00 -3.755514024e+00 2.62 -3.425327814e+00 -3.851896026e+00 -3.808872667e+00 2.64 -3.364727129e+00 -3.851451139e+00 -3.847078129e+00 2.66 -3.301326153e+00 -3.842754627e+00 -3.872333886e+00 2.68 -3.235512399e+00 -3.826755772e+00 -3.886426533e+00 2.70 -3.167613408e+00 -3.804221163e+00 -3.890769148e+00 2.72 -3.097935610e+00 -3.775802712e+00 -3.886513898e+00 2.74 -3.026804185e+00 -3.742099182e+00 -3.874654018e+00 2.76 -2.954525818e+00 -3.703640733e+00 -3.856024254e+00 2.78 -2.881364459e+00 -3.660903788e+00 -3.831335491e+00 2.80 -2.807551744e+00 -3.614322083e+00 -3.801201867e+00 2.82 -2.733339740e+00 -3.564172756e+00 -3.766161890e+00 2.84 -2.658964045e+00 -3.510720812e+00 -3.726694767e+00 2.86 -2.584643616e+00 -3.454310920e+00 -3.683232929e+00 2.88 -2.510516541e+00 -3.395267449e+00 -3.636169117e+00 2.90 -2.436585376e+00 -3.333896923e+00 -3.585809269e+00 2.92 -2.363002822e+00 -3.270489798e+00 -3.532466141e+00 2.94 -2.289926636e+00 -3.205321703e+00 -3.476456359e+00 2.96 -2.217500912e+00 -3.138654321e+00 -3.418078954e+00 2.98 -2.145853280e+00 -3.070735994e+00 -3.357617434e+00 3.00 -2.075060321e+00 -3.001802144e+00 -3.295341233e+00 3.02 -2.005215375e+00 -2.932075584e+00 -3.231506712e+00 3.04 -1.936412972e+00 -2.861766739e+00 -3.166357830e+00 3.06 -1.868736984e+00 -2.791067146e+00 -3.100126584e+00 3.08 -1.802261225e+00 -2.720125148e+00 -3.033033300e+00 3.10 -1.737050041e+00 -2.649107893e+00 -2.965277711e+00 3.12 -1.673158893e+00 -2.578176641e+00 -2.896882446e+00 3.14 -1.610634930e+00 -2.507481353e+00 -2.827964945e+00 3.16 -1.549517552e+00 -2.437160990e+00 -2.758698329e+00 3.18 -1.489838951e+00 -2.367343824e+00 -2.689245338e+00 3.20 -1.431624640e+00 -2.298147777e+00 -2.619758525e+00 3.22 -1.374893962e+00 -2.229680774e+00 -2.550380469e+00 3.24 -1.319660577e+00 -2.162041124e+00 -2.481244006e+00 3.26 -1.265932927e+00 -2.095317899e+00 -2.412472467e+00 3.28 -1.213714685e+00 -2.029591341e+00 -2.344179950e+00 3.30 -1.163005175e+00 -1.964874954e+00 -2.276471594e+00 3.32 -1.113799773e+00 -1.901144261e+00 -2.209443882e+00 3.34 -1.066090285e+00 -1.838457329e+00 -2.143184953e+00 3.36 -1.019865305e+00 -1.776866309e+00 -2.077774925e+00 3.38 -9.751105450e-01 -1.716416799e+00 -2.013286230e+00 3.40 -9.318091538e-01 -1.657148228e+00 -1.949783958e+00 3.42 -8.899420059e-01 -1.599094220e+00 -1.887326200e+00 3.44 -8.494879750e-01 -1.542282955e+00 -1.825964399e+00 3.46 -8.104241880e-01 -1.486737528e+00 -1.765743699e+00 3.48 -7.727262592e-01 -1.432476289e+00 -1.706703291e+00 3.50 -7.363685082e-01 -1.379513175e+00 -1.648876758e+00 3.52 -7.013241600e-01 -1.327858036e+00 -1.592292410e+00 3.54 -6.675655296e-01 -1.277516939e+00 -1.536960816e+00 3.56 -6.350641915e-01 -1.228492469e+00 -1.482883998e+00 3.58 -6.037911347e-01 -1.180784009e+00 -1.430076345e+00 3.60 -5.737169040e-01 -1.134388012e+00 -1.378548400e+00 3.62 -5.448117294e-01 -1.089298258e+00 -1.328307074e+00 3.64 -5.170456427e-01 -1.045506096e+00 -1.279355922e+00 3.66 -4.903885838e-01 -1.003000675e+00 -1.231695409e+00 3.68 -4.648104957e-01 -9.617691630e-01 -1.185323163e+00 3.70 -4.402814111e-01 -9.217969478e-01 -1.140234215e+00 3.72 -4.167715287e-01 -8.830678324e-01 -1.096421225e+00 3.74 -3.942512819e-01 -8.455642136e-01 -1.053874702e+00 3.76 -3.726913996e-01 -8.092672499e-01 -1.012583205e+00 3.78 -3.520629601e-01 -7.741570191e-01 -9.725335397e-01 3.80 -3.323374376e-01 -7.402126638e-01 -9.337025144e-01 3.82 -3.134867440e-01 -7.074125275e-01 -8.960233423e-01 3.84 -2.954832634e-01 -6.757342798e-01 -8.594720754e-01 3.86 -2.782998834e-01 -6.451550331e-01 -8.240324913e-01 3.88 -2.619100199e-01 -6.156514497e-01 -7.896873888e-01 3.90 -2.462876387e-01 -5.871998404e-01 -7.564187127e-01 3.92 -2.314072733e-01 -5.597762551e-01 -7.242076697e-01 3.94 -2.172440383e-01 -5.333565658e-01 -6.930348363e-01 3.96 -2.037736404e-01 -5.079165427e-01 -6.628802583e-01 3.98 -1.909723862e-01 -4.834319227e-01 -6.337235443e-01 4.00 -1.788171869e-01 -4.598784727e-01 -6.055439503e-01 4.02 -1.672855618e-01 -4.372320458e-01 -5.783204595e-01 4.04 -1.563556383e-01 -4.154686330e-01 -5.520318543e-01 4.06 -1.460061510e-01 -3.945644088e-01 -5.266567832e-01 4.08 -1.362164388e-01 -3.744957728e-01 -5.021738218e-01 4.10 -1.269664404e-01 -3.552393861e-01 -4.785615284e-01 4.12 -1.182366882e-01 -3.367722037e-01 -4.557984950e-01 4.14 -1.100083021e-01 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-2.787543157e-02 -1.070875141e-01 -1.576035687e-01 4.52 -2.571885541e-02 -9.998065441e-02 -1.476676805e-01 4.54 -2.369633328e-02 -9.325771350e-02 -1.381903125e-01 4.56 -2.180297556e-02 -8.690556447e-02 -1.291567943e-01 4.58 -2.003400220e-02 -8.091147107e-02 -1.205528374e-01 4.60 -1.838475703e-02 -7.526308051e-02 -1.123645322e-01 4.62 -1.685071800e-02 -6.994841596e-02 -1.045783441e-01 4.64 -1.542749177e-02 -6.495586897e-02 -9.718110887e-02 4.66 -1.411072180e-02 -6.025126442e-02 -9.016002794e-02 4.68 -1.289633542e-02 -5.579228286e-02 -8.350266318e-02 4.70 -1.178043959e-02 -5.157031178e-02 -7.719693119e-02 4.72 -1.075927664e-02 -4.757725293e-02 -7.123109742e-02 4.74 -9.829223546e-03 -4.380526082e-02 -6.559376993e-02 4.76 -8.986790196e-03 -4.024673707e-02 -6.027389302e-02 4.78 -8.228616711e-03 -3.689432417e-02 -5.526074059e-02 4.80 -7.549703287e-03 -3.374089929e-02 -5.054390941e-02 4.82 -6.918396000e-03 -3.077956832e-02 -4.611331223e-02 4.84 -6.322981979e-03 -2.800361727e-02 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