# 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 = Cu3Ni # 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 2.891257431e+06 nan nan 0.80 2.583204127e+06 nan nan 0.82 2.304934268e+06 nan nan 0.84 2.052965166e+06 nan nan 0.86 1.824308409e+06 2.760581007e+06 nan 0.88 1.616401077e+06 2.488684201e+06 2.827154059e+06 0.90 1.426967935e+06 2.240752086e+06 2.556756143e+06 0.92 1.254018202e+06 2.014299989e+06 2.309698658e+06 0.94 1.095845987e+06 1.807106216e+06 2.083602408e+06 0.96 9.509295352e+05 1.617197932e+06 1.876347366e+06 0.98 8.179295367e+05 1.442785301e+06 1.685996604e+06 1.00 6.956945559e+05 1.282375704e+06 1.510872001e+06 1.02 5.831656576e+05 1.134593292e+06 1.349485035e+06 1.04 4.794260732e+05 9.982400227e+05 1.200553595e+06 1.06 3.836529024e+05 8.722700872e+05 1.062934158e+06 1.08 2.972540388e+05 7.557163748e+05 9.356030662e+05 1.10 2.268092001e+05 6.477667267e+05 8.176511326e+05 1.12 1.734705698e+05 5.476883676e+05 7.082440395e+05 1.14 1.329645746e+05 4.547917086e+05 6.066480829e+05 1.16 1.021177567e+05 3.684357988e+05 5.121884765e+05 1.18 7.857364615e+04 2.906231902e+05 4.242425130e+05 1.20 6.056435826e+04 2.267900988e+05 3.425198110e+05 1.22 4.675632891e+04 1.773267078e+05 2.701780271e+05 1.24 3.614670234e+04 1.388940705e+05 2.123940921e+05 1.26 2.798086522e+04 1.089731506e+05 1.672754628e+05 1.28 2.168451298e+04 8.563451562e+04 1.319702807e+05 1.30 1.682018327e+04 6.739698347e+04 1.042873342e+05 1.32 1.305758552e+04 5.311850940e+04 8.253202678e+04 1.34 1.014416983e+04 4.191677076e+04 6.540729885e+04 1.36 7.885818086e+03 3.311487221e+04 5.190596838e+04 1.38 6.132749009e+03 2.618879037e+04 4.124396749e+04 1.40 4.770279451e+03 2.073070905e+04 3.280782738e+04 1.42 3.710728085e+03 1.642449215e+04 2.611960454e+04 1.44 2.886441006e+03 1.302300467e+04 2.081137813e+04 1.46 2.244902061e+03 1.033232437e+04 1.659327843e+04 1.48 1.745343243e+03 8.200414751e+03 1.323785903e+04 1.50 1.356136141e+03 6.509536324e+03 1.056647520e+04 1.52 1.052876780e+03 5.167829445e+03 8.437721484e+03 1.54 8.166740955e+02 4.102736240e+03 6.739829554e+03 1.56 6.327888683e+02 3.256845264e+03 5.384781471e+03 1.58 4.897148055e+02 2.584924046e+03 4.302832463e+03 1.60 3.784674737e+02 2.051137583e+03 3.438312491e+03 1.62 2.920250252e+02 1.627069753e+03 2.747256252e+03 1.64 2.248761572e+02 1.290136964e+03 2.194707083e+03 1.66 1.727518198e+02 1.022448089e+03 1.752841777e+03 1.68 1.323306851e+02 8.097153298e+02 1.399317628e+03 1.70 1.010228727e+02 6.406359801e+02 1.116376006e+03 1.72 7.681016571e+01 5.063198321e+02 8.899920661e+02 1.74 5.811267905e+01 3.996679882e+02 7.089210647e+02 1.76 4.369757106e+01 3.150360918e+02 5.641547067e+02 1.78 3.260047783e+01 2.479059693e+02 4.484632254e+02 1.80 2.407062211e+01 1.946853281e+02 3.560528581e+02 1.82 1.752504558e+01 1.525370637e+02 2.822879016e+02 1.84 1.250853548e+01 1.191956084e+02 2.234482191e+02 1.86 8.669762155e+00 9.285258444e+01 1.765402875e+02 1.88 5.736405999e+00 7.206531586e+01 1.391757992e+02 1.90 3.498668458e+00 5.568207449e+01 1.094226896e+02 1.92 1.793989323e+00 4.278667936e+01 8.573444524e+01 1.94 4.965890443e-01 3.264907271e+01 6.690228216e+01 1.96 -4.905428602e-01 2.468455146e+01 5.195369105e+01 1.98 -1.241966211e+00 1.843729001e+01 4.010667602e+01 2.00 -1.814766236e+00 1.354296014e+01 3.073270197e+01 2.02 -2.252466232e+00 9.714049439e+00 2.332763689e+01 2.04 -2.588098508e+00 6.724229561e+00 1.748768274e+01 2.06 -2.846609760e+00 4.393667574e+00 1.288880356e+01 2.08 -3.046740728e+00 2.579783353e+00 9.273105511e+00 2.10 -3.202491201e+00 1.169800086e+00 6.434936044e+00 2.12 -3.324257377e+00 7.472646025e-02 4.210320633e+00 2.14 -3.419624717e+00 -7.754203447e-01 2.468777296e+00 2.16 -3.494119814e+00 -1.435507238e+00 1.106701898e+00 2.18 -3.551851681e+00 -1.948438847e+00 4.200764650e-02 2.20 -3.595725066e+00 -2.347575299e+00 -7.901820559e-01 2.22 -3.627905227e+00 -2.658800751e+00 -1.440861744e+00 2.24 -3.649975070e+00 -2.902132006e+00 -1.950115078e+00 2.26 -3.663032063e+00 -3.092977055e+00 -2.349238243e+00 2.28 -3.667960644e+00 -3.243137921e+00 -2.662525591e+00 2.30 -3.665447951e+00 -3.361607773e+00 -2.908936120e+00 2.32 -3.656043259e+00 -3.455202752e+00 -3.103209688e+00 2.34 -3.640206665e+00 -3.529061210e+00 -3.256753554e+00 2.36 -3.618343544e+00 -3.587036785e+00 -3.378353268e+00 2.38 -3.590828287e+00 -3.632006644e+00 -3.474741268e+00 2.40 -3.558020013e+00 -3.666112087e+00 -3.551050371e+00 2.42 -3.520272398e+00 -3.690945377e+00 -3.611174298e+00 2.44 -3.477932710e+00 -3.707687357e+00 -3.658042663e+00 2.46 -3.431341215e+00 -3.717215430e+00 -3.693842619e+00 2.48 -3.380856021e+00 -3.720212138e+00 -3.720236094e+00 2.50 -3.326824652e+00 -3.717199811e+00 -3.738454578e+00 2.52 -3.269527540e+00 -3.708533772e+00 -3.749331656e+00 2.54 -3.209307100e+00 -3.694565983e+00 -3.753571314e+00 2.56 -3.146514480e+00 -3.675572319e+00 -3.751734443e+00 2.58 -3.081494296e+00 -3.651839968e+00 -3.744267361e+00 2.60 -3.014582538e+00 -3.623656091e+00 -3.731537373e+00 2.62 -2.946104662e+00 -3.591145984e+00 -3.713859180e+00 2.64 -2.876373915e+00 -3.554405626e+00 -3.691514155e+00 2.66 -2.805689921e+00 -3.513705758e+00 -3.664764071e+00 2.68 -2.734205033e+00 -3.469316873e+00 -3.633860577e+00 2.70 -2.661987988e+00 -3.421509662e+00 -3.599051432e+00 2.72 -2.589244143e+00 -3.370554904e+00 -3.560584315e+00 2.74 -2.516198634e+00 -3.316722817e+00 -3.518708836e+00 2.76 -2.443068585e+00 -3.260282071e+00 -3.473677254e+00 2.78 -2.370018203e+00 -3.201498621e+00 -3.425744288e+00 2.80 -2.297174018e+00 -3.140634464e+00 -3.375166319e+00 2.82 -2.224683938e+00 -3.077946392e+00 -3.322163244e+00 2.84 -2.152681778e+00 -3.013684821e+00 -3.266952124e+00 2.86 -2.081310126e+00 -2.948092708e+00 -3.209785268e+00 2.88 -2.010698653e+00 -2.881404595e+00 -3.150900622e+00 2.90 -1.940964627e+00 -2.813845791e+00 -3.090287962e+00 2.92 -1.872213455e+00 -2.745631695e+00 -3.028067801e+00 2.94 -1.804539244e+00 -2.676967258e+00 -2.964458803e+00 2.96 -1.738025390e+00 -2.608046580e+00 -2.899672125e+00 2.98 -1.672745158e+00 -2.539046096e+00 -2.833910853e+00 3.00 -1.608762281e+00 -2.470097859e+00 -2.767369533e+00 3.02 -1.546131541e+00 -2.401354963e+00 -2.700233787e+00 3.04 -1.484899352e+00 -2.332965932e+00 -2.632680032e+00 3.06 -1.425104331e+00 -2.265038469e+00 -2.564875276e+00 3.08 -1.366777843e+00 -2.197532938e+00 -2.496977007e+00 3.10 -1.309944546e+00 -2.130539472e+00 -2.429133149e+00 3.12 -1.254622906e+00 -2.064164301e+00 -2.361482098e+00 3.14 -1.200825688e+00 -1.998504531e+00 -2.294152805e+00 3.16 -1.148560438e+00 -1.933648480e+00 -2.227264931e+00 3.18 -1.097829928e+00 -1.869676035e+00 -2.160929032e+00 3.20 -1.048632592e+00 -1.806659020e+00 -2.095246800e+00 3.22 -1.000962925e+00 -1.744661582e+00 -2.030311321e+00 3.24 -9.548118705e-01 -1.683740577e+00 -1.966207379e+00 3.26 -9.101671760e-01 -1.623945958e+00 -1.903011763e+00 3.28 -8.670137344e-01 -1.565321163e+00 -1.840793608e+00 3.30 -8.253338971e-01 -1.507903502e+00 -1.779614733e+00 3.32 -7.851077690e-01 -1.451724535e+00 -1.719530000e+00 3.34 -7.463134820e-01 -1.396810442e+00 -1.660587667e+00 3.36 -7.089274492e-01 -1.343182383e+00 -1.602829749e+00 3.38 -6.729246003e-01 -1.290856853e+00 -1.546292372e+00 3.40 -6.382785986e-01 -1.239846015e+00 -1.491006133e+00 3.42 -6.049620411e-01 -1.190158028e+00 -1.436996435e+00 3.44 -5.729466425e-01 -1.141797359e+00 -1.384279805e+00 3.46 -5.422034042e-01 -1.094765081e+00 -1.332850685e+00 3.48 -5.127027676e-01 -1.049059160e+00 -1.282718173e+00 3.50 -4.844147554e-01 -1.004674719e+00 -1.233890802e+00 3.52 -4.573090993e-01 -9.616043006e-01 -1.186373550e+00 3.54 -4.313553553e-01 -9.198381056e-01 -1.140120760e+00 3.56 -4.065230094e-01 -8.793642221e-01 -1.095070755e+00 3.58 -3.827815710e-01 -8.401688400e-01 -1.051221594e+00 3.60 -3.601006583e-01 -8.022364529e-01 -1.008569203e+00 3.62 -3.384500736e-01 -7.655500468e-01 -9.671073137e-01 3.64 -3.177998709e-01 -7.300912766e-01 -9.268276674e-01 3.66 -2.981204154e-01 -6.958406303e-01 -8.877201973e-01 3.68 -2.793824363e-01 -6.627775825e-01 -8.497732077e-01 3.70 -2.615570729e-01 -6.308807366e-01 -8.129735388e-01 3.72 -2.446159145e-01 -6.001279562e-01 -7.773067231e-01 3.74 -2.285310349e-01 -5.704964873e-01 -7.427571310e-01 3.76 -2.132750221e-01 -5.419630704e-01 -7.093081073e-01 3.78 -1.988210028e-01 -5.145040445e-01 -6.769420986e-01 3.80 -1.851426634e-01 -4.880954412e-01 -6.456407719e-01 3.82 -1.722142664e-01 -4.627130729e-01 -6.153851248e-01 3.84 -1.600106640e-01 -4.383326115e-01 -5.861555876e-01 3.86 -1.485073079e-01 -4.149296614e-01 -5.579321185e-01 3.88 -1.376802568e-01 -3.924798254e-01 -5.306942908e-01 3.90 -1.275061810e-01 -3.709587641e-01 -5.044213737e-01 3.92 -1.179623646e-01 -3.503422503e-01 -4.790924066e-01 3.94 -1.090267060e-01 -3.306062175e-01 -4.546862674e-01 3.96 -1.006777160e-01 -3.117268032e-01 -4.311817349e-01 3.98 -9.289451482e-02 -2.936803879e-01 -4.085575460e-01 4.00 -8.565682724e-02 -2.764436299e-01 -3.867924479e-01 4.02 -7.894497660e-02 -2.599934954e-01 -3.658652449e-01 4.04 -7.273987764e-02 -2.443072854e-01 -3.457548418e-01 4.06 -6.702302832e-02 -2.293626592e-01 -3.264402824e-01 4.08 -6.174457647e-02 -2.151376545e-01 -3.079007842e-01 4.10 -5.679473138e-02 -2.016107046e-01 -2.901157699e-01 4.12 -5.215551929e-02 -1.887606529e-01 -2.730648948e-01 4.14 -4.781572274e-02 -1.765667651e-01 -2.567280720e-01 4.16 -4.376448671e-02 -1.650087390e-01 -2.410854940e-01 4.18 -3.999131102e-02 -1.540667121e-01 -2.261176517e-01 4.20 -3.648589802e-02 -1.437212680e-01 -2.118053509e-01 4.22 -3.323806238e-02 -1.339435813e-01 -1.981297274e-01 4.24 -3.023869442e-02 -1.247054087e-01 -1.850722580e-01 4.26 -2.747889571e-02 -1.159895375e-01 -1.726147717e-01 4.28 -2.494993388e-02 -1.077791794e-01 -1.607394578e-01 4.30 -2.264328017e-02 -1.000579693e-01 -1.494288725e-01 4.32 -2.055063684e-02 -9.280365938e-02 -1.386659446e-01 4.34 -1.866372753e-02 -8.593064769e-02 -1.284339790e-01 4.36 -1.695173388e-02 -7.940710724e-02 -1.187166595e-01 4.38 -1.539290157e-02 -7.322175132e-02 -1.094980503e-01 4.40 -1.398178943e-02 -6.736360501e-02 -1.007625964e-01 4.42 -1.271312767e-02 -6.182200054e-02 -9.249512316e-02 4.44 -1.158182058e-02 -5.658657326e-02 -8.468083485e-02 4.46 -1.057993901e-02 -5.164725404e-02 -7.730531259e-02 4.48 -9.652258989e-03 -4.699426475e-02 -7.035451153e-02 4.50 -8.778266152e-03 -4.261811361e-02 -6.381475742e-02 4.52 -7.956185124e-03 -3.850959069e-02 -5.767274264e-02 4.54 -7.184290201e-03 -3.465975860e-02 -5.191552246e-02 4.56 -6.460905330e-03 -3.105988451e-02 -4.653051003e-02 4.58 -5.784403860e-03 -2.770121724e-02 -4.150546701e-02 4.60 -5.153208116e-03 -2.457577988e-02 -3.682850303e-02 4.62 -4.565788806e-03 -2.167586918e-02 -3.248806701e-02 4.64 -4.020664309e-03 -1.899366599e-02 -2.847294263e-02 4.66 -3.516399842e-03 -1.652159512e-02 -2.477173066e-02 4.68 -3.051606553e-03 -1.425285397e-02 -2.137368713e-02 4.70 -2.624940533e-03 -1.218072634e-02 -1.826887190e-02 4.72 -2.235101780e-03 -1.029860312e-02 -1.544753082e-02 4.74 -1.880833120e-03 -8.600006620e-03 -1.290050793e-02 4.76 -1.560919097e-03 -7.078609282e-03 -1.061870905e-02 4.78 -1.274184841e-03 -5.728247670e-03 -8.593156448e-03 4.80 -1.019494934e-03 -4.542932519e-03 -6.815037326e-03 4.82 -7.957522556e-04 -3.516855419e-03 -5.275740594e-03 4.84 -6.018968457e-04 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