# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--fictional-spread-alloy # implementation = 2023--Daw-M-S--fictional-spread-alloy--LAMMPS--ipr1 # composition = A # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 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 nan nan nan nan nan nan 0.70 nan nan nan nan nan 1.908165470e+06 nan nan nan nan 0.72 nan nan nan nan nan 1.669332243e+06 nan nan nan nan 0.74 nan nan nan nan nan 1.456219495e+06 nan nan 1.817984516e+06 nan 0.76 nan nan nan nan nan 1.265536376e+06 nan nan 1.597077657e+06 nan 0.78 nan nan nan nan nan 1.094482146e+06 nan nan 1.398818846e+06 nan 0.80 nan 1.973169184e+06 nan nan nan 9.406960078e+05 nan nan 1.220443792e+06 1.979640632e+06 0.82 nan 1.755628139e+06 nan nan nan 8.020548395e+05 1.798967302e+06 nan 1.059576520e+06 1.762159824e+06 0.84 nan 1.558802513e+06 nan nan nan 6.767669560e+05 1.599294962e+06 nan 9.141480017e+05 1.565354626e+06 0.86 nan 1.380314928e+06 nan nan nan 5.633121471e+05 1.418208905e+06 nan 7.823864219e+05 1.386915473e+06 0.88 nan 1.218134279e+06 1.898893922e+06 nan nan 4.603735298e+05 1.253651549e+06 1.977603771e+06 6.627752571e+05 1.224802830e+06 0.90 1.951636178e+06 1.070477944e+06 1.705179410e+06 1.951666334e+06 1.951681267e+06 3.668050108e+05 1.103830730e+06 1.778600705e+06 5.539869721e+05 1.077201423e+06 0.92 1.758575412e+06 9.357909616e+05 1.528328830e+06 1.758575934e+06 1.758582740e+06 2.815909788e+05 9.671770881e+05 1.596926819e+06 4.548709038e+05 9.425862305e+05 0.94 1.581971275e+06 8.127329319e+05 1.366603180e+06 1.581945119e+06 1.581946417e+06 2.061830969e+05 8.423196975e+05 1.430758092e+06 3.644151636e+05 8.195700309e+05 0.96 1.420123309e+06 7.000976880e+05 1.218441544e+06 1.420100837e+06 1.420103481e+06 1.502484658e+05 7.280496646e+05 1.278498608e+06 2.817279180e+05 7.069439580e+05 0.98 1.271564290e+06 5.968348888e+05 1.082476808e+06 1.271573556e+06 1.271582796e+06 1.098302024e+05 6.232747307e+05 1.138775861e+06 2.081019633e+05 6.036715651e+05 1.00 1.134997465e+06 5.020146965e+05 9.575192801e+05 1.135033690e+06 1.135050736e+06 8.051855747e+04 5.270402107e+05 1.010368083e+06 1.528884030e+05 5.088548092e+05 1.02 1.009273697e+06 4.148417033e+05 8.424902290e+05 1.009319078e+06 1.009344117e+06 5.919060484e+04 4.385359736e+05 8.921738086e+05 1.126236083e+05 4.216883548e+05 1.04 8.933711213e+05 3.345771580e+05 7.364737437e+05 8.934091652e+05 8.934334516e+05 4.362376617e+04 3.570384036e+05 7.832314089e+05 8.316544589e+04 3.414379333e+05 1.06 7.863739148e+05 2.605786385e+05 6.386569508e+05 7.863943541e+05 7.864111867e+05 3.222946769e+04 2.818998108e+05 6.826806446e+05 6.154697079e+04 2.674454810e+05 1.08 6.874767398e+05 1.961259581e+05 5.482689242e+05 6.874724999e+05 6.874808571e+05 2.386320212e+04 2.139540666e+05 5.897538323e+05 4.563709650e+04 2.020436126e+05 1.10 5.959289031e+05 1.476614889e+05 4.646285612e+05 5.959143700e+05 5.959178935e+05 1.770207383e+04 1.613957904e+05 5.037486015e+05 3.389706948e+04 1.524636901e+05 1.12 5.110792813e+05 1.113955932e+05 3.871322099e+05 5.110674566e+05 5.110678164e+05 1.315206456e+04 1.220086101e+05 4.240546919e+05 2.521551819e+04 1.152965990e+05 1.14 4.323498265e+05 8.419201400e+04 3.152583962e+05 4.323416109e+05 4.323401571e+05 9.785717157e+03 9.241408404e+04 3.501216537e+05 1.878341218e+04 8.735814581e+04 1.16 3.592103160e+05 6.373330649e+04 2.485033857e+05 3.592110055e+05 3.592121027e+05 7.290037593e+03 7.012276828e+04 2.814570927e+05 1.400894183e+04 6.630090500e+04 1.18 2.911948435e+05 4.831657153e+04 1.912151753e+05 2.912090069e+05 2.912179198e+05 5.436762489e+03 5.329099754e+04 2.186101644e+05 1.045932345e+04 5.039496260e+04 1.20 2.282450173e+05 3.667752946e+04 1.473690128e+05 2.282711085e+05 2.282883327e+05 4.058572395e+03 4.055309337e+04 1.687216606e+05 7.815692093e+03 3.835788955e+04 1.22 1.769974700e+05 2.787220682e+04 1.137683751e+05 1.770229118e+05 1.770410607e+05 3.032498556e+03 3.089537080e+04 1.304444155e+05 5.844069812e+03 2.923340057e+04 1.24 1.374807091e+05 2.120011188e+04 8.796685055e+04 1.375060692e+05 1.375230633e+05 2.267809219e+03 2.356197802e+04 1.010102779e+05 4.372090772e+03 2.230601349e+04 1.26 1.069505193e+05 1.613826900e+04 6.811027055e+04 1.069714456e+05 1.069850782e+05 1.697281416e+03 1.798599083e+04 7.833272848e+04 3.272102608e+03 1.703870324e+04 1.28 8.332165399e+04 1.229372819e+04 5.280202167e+04 8.333484563e+04 8.334428574e+04 1.271232829e+03 1.374020098e+04 6.082777496e+04 2.449332066e+03 1.302560714e+04 1.30 6.500331282e+04 9.369651923e+03 4.098107816e+04 6.500575603e+04 6.501098950e+04 9.527866863e+02 1.050331617e+04 4.729138638e+04 1.833543412e+03 9.964259418e+03 1.32 5.077172934e+04 7.142820164e+03 3.183823733e+04 5.076731734e+04 5.076938268e+04 7.145304219e+02 8.032982909e+03 3.680458053e+04 1.372507323e+03 7.626166697e+03 1.34 3.969416358e+04 5.445847813e+03 2.475789592e+04 3.968871707e+04 3.968891200e+04 5.362136613e+02 6.145788170e+03 2.866808788e+04 1.027163557e+03 5.838646935e+03 1.36 3.106096244e+04 4.152058550e+03 1.926820595e+04 3.105651967e+04 3.105573917e+04 4.027204591e+02 4.703002509e+03 2.234713819e+04 7.684429539e+02 4.471193940e+03 1.38 2.432331696e+04 3.165190439e+03 1.500533546e+04 2.432126155e+04 2.432046757e+04 3.027493956e+02 3.598961680e+03 1.743107014e+04 5.746328844e+02 3.424412278e+03 1.40 1.905941664e+04 2.412159697e+03 1.168972329e+04 1.905922477e+04 1.905862694e+04 2.278127186e+02 2.753575409e+03 1.360354633e+04 4.294378538e+02 2.622762595e+03 1.42 1.494310505e+04 1.837264685e+03 9.108826665e+03 1.494383957e+04 1.494346833e+04 1.716241939e+02 2.106161397e+03 1.062055048e+04 3.206973246e+02 2.008641810e+03 1.44 1.172059206e+04 1.398318297e+03 7.098767023e+03 1.172198274e+04 1.172195369e+04 1.294833846e+02 1.610346014e+03 8.293834135e+03 2.393101486e+02 1.537885929e+03 1.46 9.195883864e+03 1.063278112e+03 5.532343628e+03 9.197730271e+03 9.198092633e+03 9.785523102e+01 1.230657782e+03 6.477970001e+03 1.784270073e+02 1.176986830e+03 1.48 7.216732547e+03 8.076675655e+02 4.311175137e+03 7.218586736e+03 7.219321062e+03 7.410093172e+01 9.399050832e+02 5.060074235e+03 1.328999362e+02 9.003462061e+02 1.50 5.664172032e+03 6.127687736e+02 3.358956550e+03 5.665803927e+03 5.666855432e+03 5.624460037e+01 7.172785295e+02 3.952258084e+03 9.887496682e+01 6.882803942e+02 1.52 4.445451821e+03 4.642636310e+02 2.616355746e+03 4.446861357e+03 4.448100210e+03 4.280343984e+01 5.468814313e+02 3.086338281e+03 7.346084882e+01 5.257123604e+02 1.54 3.488547665e+03 3.511681310e+02 2.037200428e+03 3.489578112e+03 3.490739337e+03 3.266543023e+01 4.164833085e+02 2.409346411e+03 5.449012033e+01 4.011580309e+02 1.56 2.737084881e+03 2.650897595e+02 1.585532777e+03 2.737676800e+03 2.738613474e+03 2.499729849e+01 3.167460939e+02 1.880036304e+03 4.033449244e+01 3.057886631e+02 1.58 2.146710626e+03 1.996366733e+02 1.233220894e+03 2.146970071e+03 2.147655529e+03 1.917378706e+01 2.405187768e+02 1.466112864e+03 2.977135731e+01 2.327877970e+02 1.60 1.682699338e+03 1.499238754e+02 9.583583677e+02 1.682822001e+03 1.683300044e+03 1.472818573e+01 1.822982910e+02 1.142436537e+03 2.188362042e+01 1.769243483e+02 1.62 1.318089672e+03 1.122190019e+02 7.440188588e+02 1.318188765e+03 1.318499863e+03 1.131408295e+01 1.378702586e+02 8.894296194e+02 1.598685765e+01 1.342190119e+02 1.64 1.031679229e+03 8.366326550e+01 5.769684088e+02 1.031784628e+03 1.031964435e+03 8.672555605e+00 1.039967592e+02 6.917568549e+02 1.156901320e+01 1.016066506e+02 1.66 8.067860545e+02 6.206860251e+01 4.468559343e+02 8.068697609e+02 8.069490538e+02 6.610361099e+00 7.819443452e+01 5.374026805e+02 8.248771417e+00 7.672734557e+01 1.68 6.302648857e+02 4.575780824e+01 3.455439456e+02 6.303222854e+02 6.303353045e+02 4.983034131e+00 5.855969302e+01 4.169432624e+02 5.742560962e+00 5.776072733e+01 1.70 4.917846392e+02 3.345481750e+01 2.667103317e+02 4.918194840e+02 4.917942626e+02 3.684045042e+00 4.363733858e+01 3.230013411e+02 3.839640573e+00 4.331314178e+01 1.72 3.832202780e+02 2.418795868e+01 2.054316516e+02 3.832366131e+02 3.831916354e+02 2.634476816e+00 3.230978732e+01 2.497887141e+02 2.383820590e+00 3.231689483e+01 1.74 2.981724647e+02 1.721476929e+01 1.578518035e+02 2.981725665e+02 2.981196766e+02 1.775589165e+00 2.371887750e+01 1.927665905e+02 1.259660696e+00 2.395225776e+01 1.76 2.316013863e+02 1.197163334e+01 1.209519165e+02 2.315797724e+02 2.315262551e+02 1.063727423e+00 1.720794348e+01 1.483910205e+02 3.821019653e-01 1.759080204e+01 1.78 1.795312753e+02 8.031847803e+00 9.236983712e+01 1.794894554e+02 1.794404242e+02 4.664815159e-01 1.227528998e+01 1.138834795e+02 -3.112164745e-01 1.275154849e+01 1.80 1.387994222e+02 5.073314158e+00 7.025847454e+01 1.387571302e+02 1.387204894e+02 -4.020541472e-02 8.537849795e+00 8.707714642e+01 -8.658460583e-01 9.067045399e+00 1.82 1.069707144e+02 2.851721290e+00 5.317415686e+01 1.069405484e+02 1.069197650e+02 -4.742079152e-01 5.703772838e+00 6.628374976e+01 -1.315101151e+00 6.257140199e+00 1.84 8.213361464e+01 1.182308945e+00 3.998331667e+01 8.211737541e+01 8.210925384e+01 -8.488433192e-01 3.551115015e+00 5.017861526e+01 -1.683282667e+00 4.108712792e+00 1.86 6.277994602e+01 -7.419577745e-02 2.981039158e+01 6.277597050e+01 6.277650262e+01 -1.174084126e+00 1.911716322e+00 3.772327715e+01 -1.988126993e+00 2.460027650e+00 1.88 4.772086553e+01 -1.022408967e+00 2.197297612e+01 4.772566264e+01 4.773182469e+01 -1.457382342e+00 6.584889144e-01 2.810450471e+01 -2.242591835e+00 1.188663623e+00 1.90 3.602022361e+01 -1.740617273e+00 1.594012901e+01 3.602960349e+01 3.603914734e+01 -1.704371990e+00 -3.040800635e-01 2.068514961e+01 -2.456159137e+00 2.022140186e-01 1.92 2.694156871e+01 -2.287168813e+00 1.130248404e+01 2.695285307e+01 2.696413744e+01 -1.919511575e+00 -1.047790205e+00 1.496941674e+01 -2.635800522e+00 -5.688826357e-01 1.94 1.990530389e+01 -2.705367570e+00 7.741235245e+00 1.991715768e+01 1.992901147e+01 -2.106335212e+00 -1.626473480e+00 1.057117876e+01 -2.786630735e+00 -1.176829697e+00 1.96 1.445851182e+01 -3.027212653e+00 5.008609246e+00 1.447012521e+01 1.448173860e+01 -2.267708598e+00 -2.080343658e+00 7.189755902e+00 -2.912487361e+00 -1.660403616e+00 1.98 1.024674019e+01 -3.276247180e+00 2.912488284e+00 1.025744058e+01 1.026814097e+01 -2.406015330e+00 -2.439331665e+00 4.591487710e+00 -3.016295640e+00 -2.048574614e+00 2.00 6.992698576e+00 -3.469721674e+00 1.304287515e+00 7.001666533e+00 7.010634490e+00 -2.523290842e+00 -2.725636747e+00 2.595099408e+00 -3.100414595e+00 -2.362971524e+00 2.02 4.479893245e+00 -3.620191651e+00 6.940768356e-02 4.486839430e+00 4.493785614e+00 -2.621317679e+00 -2.955672131e+00 1.060313220e+00 -3.166738058e+00 -2.619700188e+00 2.04 2.539664801e+00 -3.736794650e+00 -8.802928762e-01 2.544666733e+00 2.549668666e+00 -2.701675432e+00 -3.141543854e+00 -1.207022604e-01 -3.216814992e+00 -2.830731951e+00 2.06 1.040929410e+00 -3.826161344e+00 -1.612390425e+00 1.044258664e+00 1.047587917e+00 -2.765735044e+00 -3.292118594e+00 -1.030947896e+00 -3.252049578e+00 -3.004960059e+00 2.08 -1.179326279e-01 -3.893052489e+00 -2.178393562e+00 -1.159214740e-01 -1.139103202e-01 -2.814829764e+00 -3.413921321e+00 -1.734135330e+00 -3.273700556e+00 -3.149000100e+00 2.10 -1.015494109e+00 -3.941036445e+00 -2.617526844e+00 -1.014429012e+00 -1.013363915e+00 -2.850216458e+00 -3.511813533e+00 -2.279023050e+00 -3.282909746e+00 -3.267785974e+00 2.12 -1.712468757e+00 -3.972717365e+00 -2.959557381e+00 -1.711963101e+00 -1.711457445e+00 -2.873078147e+00 -3.589423321e+00 -2.702732791e+00 -3.280751279e+00 -3.364823337e+00 2.14 -2.255144913e+00 -3.990084646e+00 -3.226986905e+00 -2.254917430e+00 -2.254689946e+00 -2.884532939e+00 -3.649475699e+00 -3.033368802e+00 -3.268180265e+00 -3.442843753e+00 2.16 -2.678939725e+00 -3.994705185e+00 -3.436758941e+00 -2.678816382e+00 -2.678693038e+00 -2.885639559e+00 -3.693995946e+00 -3.292232627e+00 -3.246107312e+00 -3.504042507e+00 2.18 -3.010974466e+00 -3.987838752e+00 -3.601584588e+00 -3.010853332e+00 -3.010732197e+00 -2.877400682e+00 -3.724564268e+00 -3.495423374e+00 -3.215453951e+00 -3.550163225e+00 2.20 -3.271940749e+00 -3.970537682e+00 -3.730968816e+00 -3.271767227e+00 -3.271593705e+00 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