# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni # implementation = 2025--Sharifi-H--Cu-Ni--LAMMPS--ipr1 # composition = CuNi3 # 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 2025-07-01 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 9.823280642e+02 nan nan 0.92 9.178455777e+02 nan nan 0.94 8.548600258e+02 nan nan 0.96 7.934959612e+02 nan nan 0.98 7.339992587e+02 9.494365120e+02 nan 1.00 6.766580817e+02 8.902657739e+02 nan 1.02 6.217430234e+02 8.330734162e+02 9.979793684e+02 1.04 5.693344953e+02 7.773729056e+02 9.372090583e+02 1.06 5.195947690e+02 7.231418411e+02 8.775415719e+02 1.08 4.726929871e+02 6.705861911e+02 8.191421449e+02 1.10 4.287362678e+02 6.199205495e+02 7.622393012e+02 1.12 3.877734389e+02 5.713438370e+02 7.070818840e+02 1.14 3.498013439e+02 5.250247961e+02 6.539102860e+02 1.16 3.147724184e+02 4.810944458e+02 6.029382010e+02 1.18 2.826026635e+02 4.396433992e+02 5.543421124e+02 1.20 2.531794368e+02 4.007224679e+02 5.082563571e+02 1.22 2.263686963e+02 3.643453935e+02 4.647721243e+02 1.24 2.020214909e+02 3.304928291e+02 4.239390985e+02 1.26 1.799795959e+02 2.991169650e+02 3.857688133e+02 1.28 1.600802767e+02 2.701463594e+02 3.502390027e+02 1.30 1.421602047e+02 2.434906686e+02 3.172984251e+02 1.32 1.260585897e+02 2.190450947e+02 2.868718052e+02 1.34 1.116196051e+02 1.966944266e+02 2.588646325e+02 1.36 9.869419370e+01 1.763166137e+02 2.331676478e+02 1.38 8.714134189e+01 1.577858564e+02 2.096609247e+02 1.40 7.682890771e+01 1.409752132e+02 1.882174838e+02 1.42 6.763408135e+01 1.257587531e+02 1.687064270e+02 1.44 5.944355022e+01 1.120132886e+02 1.509955953e+02 1.46 5.215343163e+01 9.961972879e+01 1.349537739e+02 1.48 4.566902772e+01 8.846410141e+01 1.204524790e+02 1.50 3.990445061e+01 7.843828370e+01 1.073673663e+02 1.52 3.478215498e+01 6.944048908e+01 9.557930331e+01 1.54 3.023241104e+01 6.137554692e+01 8.497514767e+01 1.56 2.619274333e+01 5.415501283e+01 7.544827362e+01 1.58 2.260735628e+01 4.769713447e+01 6.689888694e+01 1.60 1.942656181e+01 4.192663003e+01 5.923416205e+01 1.62 1.660622056e+01 3.677440499e+01 5.236823683e+01 1.64 1.410714572e+01 3.217729875e+01 4.622209327e+01 1.66 1.189437757e+01 2.807779612e+01 4.072334802e+01 1.68 9.936582496e+00 2.442371044e+01 3.580597784e+01 1.70 8.205662789e+00 2.116784804e+01 3.140999628e+01 1.72 6.676447855e+00 1.826766333e+01 2.748109786e+01 1.74 5.326413236e+00 1.568491334e+01 2.397028455e+01 1.76 4.135424117e+00 1.338531141e+01 2.083348264e+01 1.78 3.085501439e+00 1.133818221e+01 1.803116006e+01 1.80 2.160608849e+00 9.516142193e+00 1.552795127e+01 1.82 1.346458856e+00 7.894795026e+00 1.329228575e+01 1.84 6.303366065e-01 6.452387628e+00 1.129594831e+01 1.86 9.397678298e-04 5.169487147e+00 9.513662902e+00 1.88 -5.517667786e-01 4.028747040e+00 7.922802907e+00 1.90 -1.036682565e+00 3.014700697e+00 6.503136150e+00 1.92 -1.461690731e+00 2.113572840e+00 5.236590819e+00 1.94 -1.833765802e+00 1.313107612e+00 4.107041152e+00 1.96 -2.159071003e+00 6.024124580e-01 3.100112157e+00 1.98 -2.443046087e+00 -2.818008764e-02 2.203001244e+00 2.00 -2.690486476e+00 -5.871154982e-01 1.404316112e+00 2.02 -2.905616614e+00 -1.081744247e+00 6.939192733e-01 2.04 -3.092170148e+00 -1.518648483e+00 6.272791270e-02 2.06 -3.253293312e+00 -1.903765207e+00 -4.974449149e-01 2.08 -3.391433036e+00 -2.242449377e+00 -9.939782514e-01 2.10 -3.508762536e+00 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-3.658771383e+00 -4.124656618e+00 -4.194131683e+00 2.48 -3.613550301e+00 -4.109103812e+00 -4.204363605e+00 2.50 -3.566192779e+00 -4.088628879e+00 -4.207541387e+00 2.52 -3.516992322e+00 -4.063723510e+00 -4.204319028e+00 2.54 -3.466212404e+00 -4.034829499e+00 -4.195283318e+00 2.56 -3.414092507e+00 -4.002352019e+00 -4.180972897e+00 2.58 -3.360850357e+00 -3.966663018e+00 -4.161882772e+00 2.60 -3.306683825e+00 -3.928103950e+00 -4.138467896e+00 2.62 -3.251772650e+00 -3.886988262e+00 -4.111146434e+00 2.64 -3.196280018e+00 -3.843603686e+00 -4.080302764e+00 2.66 -3.140353997e+00 -3.798214334e+00 -4.046290227e+00 2.68 -3.084128849e+00 -3.751062620e+00 -4.009433650e+00 2.70 -3.027726222e+00 -3.702371016e+00 -3.970031661e+00 2.72 -2.971256243e+00 -3.652343672e+00 -3.928358806e+00 2.74 -2.914818512e+00 -3.601167893e+00 -3.884667500e+00 2.76 -2.858503007e+00 -3.549015499e+00 -3.839189806e+00 2.78 -2.802390912e+00 -3.496044065e+00 -3.792139079e+00 2.80 -2.746555373e+00 -3.442398069e+00 -3.743711461e+00 2.82 -2.691062187e+00 -3.388209936e+00 -3.694087264e+00 2.84 -2.635970431e+00 -3.333600997e+00 -3.643432235e+00 2.86 -2.581333035e+00 -3.278682377e+00 -3.591898710e+00 2.88 -2.527197309e+00 -3.223555799e+00 -3.539626689e+00 2.90 -2.473605419e+00 -3.168314332e+00 -3.486744802e+00 2.92 -2.420594826e+00 -3.113043069e+00 -3.433371219e+00 2.94 -2.368198686e+00 -3.057819755e+00 -3.379614462e+00 2.96 -2.316446215e+00 -3.002715366e+00 -3.325574170e+00 2.98 -2.265363024e+00 -2.947794632e+00 -3.271341792e+00 3.00 -2.214971423e+00 -2.893116529e+00 -3.217001221e+00 3.02 -2.165290700e+00 -2.838734722e+00 -3.162629388e+00 3.04 -2.116337380e+00 -2.784697976e+00 -3.108296794e+00 3.06 -2.068125457e+00 -2.731050538e+00 -3.054068009e+00 3.08 -2.020666607e+00 -2.677832479e+00 -3.000002127e+00 3.10 -1.973970387e+00 -2.625080017e+00 -2.946153183e+00 3.12 -1.928044415e+00 -2.572825812e+00 -2.892570541e+00 3.14 -1.882894533e+00 -2.521099237e+00 -2.839299246e+00 3.16 -1.838524961e+00 -2.469926625e+00 -2.786380352e+00 3.18 -1.794938434e+00 -2.419331505e+00 -2.733851219e+00 3.20 -1.752136332e+00 -2.369334809e+00 -2.681745793e+00 3.22 -1.710118795e+00 -2.319955071e+00 -2.630094860e+00 3.24 -1.668884831e+00 -2.271208607e+00 -2.578926278e+00 3.26 -1.628432417e+00 -2.223109682e+00 -2.528265197e+00 3.28 -1.588758588e+00 -2.175670663e+00 -2.478134257e+00 3.30 -1.549859525e+00 -2.128902164e+00 -2.428553771e+00 3.32 -1.511730626e+00 -2.082813174e+00 -2.379541897e+00 3.34 -1.474366583e+00 -2.037411183e+00 -2.331114793e+00 3.36 -1.437761446e+00 -1.992702290e+00 -2.283286763e+00 3.38 -1.401908682e+00 -1.948691313e+00 -2.236070392e+00 3.40 -1.366801233e+00 -1.905381880e+00 -2.189476670e+00 3.42 -1.332431568e+00 -1.862776522e+00 -2.143515103e+00 3.44 -1.298791729e+00 -1.820876756e+00 -2.098193824e+00 3.46 -1.265873376e+00 -1.779683161e+00 -2.053519690e+00 3.48 -1.233667830e+00 -1.739195450e+00 -2.009497728e+00 3.50 -1.202166106e+00 -1.699412536e+00 -1.966116931e+00 3.52 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-1.298255928e+00 3.88 -7.241546782e-01 -1.071868487e+00 -1.267245283e+00 3.90 -7.046160985e-01 -1.045151793e+00 -1.236841734e+00 3.92 -6.855671595e-01 -1.019012465e+00 -1.207038738e+00 3.94 -6.669978166e-01 -9.934420184e-01 -1.177829569e+00 3.96 -6.488981166e-01 -9.684319018e-01 -1.149207331e+00 3.98 -6.312582034e-01 -9.439735119e-01 -1.121164974e+00 4.00 -6.140683233e-01 -9.200582048e-01 -1.093695316e+00 4.02 -5.972108438e-01 -8.966773082e-01 -1.066791050e+00 4.04 -5.793766367e-01 -8.738221315e-01 -1.040444765e+00 4.06 -5.595815498e-01 -8.514839760e-01 -1.014648957e+00 4.08 -5.428014878e-01 -8.296541446e-01 -9.893960377e-01 4.10 -5.286047964e-01 -8.083239499e-01 -9.646783532e-01 4.12 -5.147648537e-01 -7.874847228e-01 -9.404881905e-01 4.14 -5.012653520e-01 -7.671278204e-01 -9.168177891e-01 4.16 -4.880990186e-01 -7.472446325e-01 -8.936593516e-01 4.18 -4.752586801e-01 -7.278265886e-01 -8.710050523e-01 4.20 -4.627372639e-01 -7.088651643e-01 -8.488470461e-01 4.22 -4.505277997e-01 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