# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = Au # 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 2022-05-24 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 nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 1.248263206e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.134125537e+03 nan 0.84 nan nan nan nan nan nan nan nan 1.031693531e+03 nan 0.86 nan nan nan nan nan 8.123239211e+02 nan nan 9.395962996e+02 nan 0.88 nan nan nan nan nan 7.413219365e+02 nan nan 8.566509541e+02 nan 0.90 nan nan nan nan nan 6.772764702e+02 nan nan 7.818294236e+02 nan 0.92 nan nan nan nan nan 6.194085391e+02 nan nan 7.142285561e+02 nan 0.94 nan nan nan nan nan 5.670337788e+02 nan nan 6.530544125e+02 nan 0.96 nan nan nan nan nan 5.195540628e+02 nan nan 5.976117723e+02 nan 0.98 nan nan nan 1.262910590e+03 1.262933572e+03 4.764477659e+02 nan nan 5.472923924e+02 8.081843054e+02 1.00 nan 7.286720117e+02 nan 1.166117964e+03 1.166141527e+03 4.372570447e+02 7.510601346e+02 nan 5.015627553e+02 7.434226185e+02 1.02 nan 6.698614665e+02 nan 1.077567944e+03 1.077590236e+03 4.015798073e+02 6.911024066e+02 nan 4.599538032e+02 6.843536954e+02 1.04 nan 6.161816976e+02 nan 9.964576375e+02 9.964771984e+02 3.690613044e+02 6.363542007e+02 nan 4.220509154e+02 6.304105444e+02 1.06 nan 5.671313434e+02 nan 9.220776401e+02 9.220942530e+02 3.393854758e+02 5.863113913e+02 nan 3.874871366e+02 5.810860717e+02 1.08 nan 5.222624860e+02 nan 8.537961629e+02 8.538110576e+02 3.122680979e+02 5.405194344e+02 nan 3.559353743e+02 5.359306045e+02 1.10 nan 4.811777754e+02 7.019057894e+02 7.910479875e+02 7.910634060e+02 2.874559075e+02 4.985698116e+02 7.283941116e+02 3.271047983e+02 4.945487308e+02 1.12 7.333078950e+02 4.435239137e+02 6.498176839e+02 7.333244383e+02 7.333423619e+02 2.647257254e+02 4.600995181e+02 6.746226769e+02 3.007368415e+02 4.565893013e+02 1.14 6.801461618e+02 4.089856956e+02 6.018913294e+02 6.801701583e+02 6.801910010e+02 2.438833966e+02 4.247858006e+02 6.251385107e+02 2.766010112e+02 4.217377120e+02 1.16 6.311497235e+02 3.772799600e+02 5.577606434e+02 6.311778724e+02 6.312003981e+02 2.247589354e+02 3.923406962e+02 5.795612801e+02 2.544899974e+02 3.897112810e+02 1.18 5.859559045e+02 3.481499251e+02 5.170954427e+02 5.859833829e+02 5.860055981e+02 2.071998171e+02 3.625048767e+02 5.375489140e+02 2.342160502e+02 3.602566728e+02 1.20 5.442367399e+02 3.213637234e+02 4.795945459e+02 5.442596950e+02 5.442796487e+02 1.910658024e+02 3.350454495e+02 4.987918423e+02 2.156087209e+02 3.331478740e+02 1.22 5.056948887e+02 2.967131225e+02 4.449850190e+02 5.057114840e+02 5.057275838e+02 1.762278627e+02 3.097546094e+02 4.630097077e+02 1.985149103e+02 3.081821375e+02 1.24 4.700601466e+02 2.740117828e+02 4.130190450e+02 4.700700274e+02 4.700812546e+02 1.625683538e+02 2.864470146e+02 4.299479165e+02 1.827976874e+02 2.851748003e+02 1.26 4.370878480e+02 2.530916046e+02 3.834714580e+02 4.370916290e+02 4.370979971e+02 1.499812540e+02 2.649559565e+02 3.993755636e+02 1.683351082e+02 2.639563803e+02 1.28 4.065561732e+02 2.338010203e+02 3.561372614e+02 4.065553030e+02 4.065580936e+02 1.383709856e+02 2.451294003e+02 3.710831041e+02 1.550178373e+02 2.443708915e+02 1.30 3.782645849e+02 2.160024407e+02 3.308315496e+02 3.782612134e+02 3.782625979e+02 1.276516650e+02 2.268268741e+02 3.448815486e+02 1.427470216e+02 2.262768950e+02 1.32 3.520307581e+02 1.995702099e+02 3.073881278e+02 3.520276133e+02 3.520299030e+02 1.177463663e+02 2.099190585e+02 3.206000221e+02 1.314325908e+02 2.095476025e+02 1.34 3.276883933e+02 1.843894776e+02 2.856577760e+02 3.276889287e+02 3.276940578e+02 1.085867972e+02 1.942881221e+02 2.980838667e+02 1.209929494e+02 1.940707155e+02 1.36 3.050859140e+02 1.703565486e+02 2.655041063e+02 3.050936978e+02 3.051029085e+02 1.001118553e+02 1.798276752e+02 2.771930264e+02 1.113542067e+02 1.797459048e+02 1.38 2.840866755e+02 1.573784921e+02 2.468020490e+02 2.841038343e+02 2.841175198e+02 9.226636448e+01 1.664416547e+02 2.578010511e+02 1.024493396e+02 1.664817797e+02 1.40 2.645684378e+02 1.453713264e+02 2.294366008e+02 2.645941695e+02 2.646118087e+02 8.499968499e+01 1.540430615e+02 2.397930182e+02 9.421764458e+01 1.541938540e+02 1.42 2.464205995e+02 1.342577235e+02 2.133029362e+02 2.464512126e+02 2.464715442e+02 7.826498526e+01 1.425530447e+02 2.230636533e+02 8.660424684e+01 1.428036415e+02 1.44 2.295412807e+02 1.239664389e+02 1.983067755e+02 2.295717387e+02 2.295930624e+02 7.201906486e+01 1.319000753e+02 2.075156356e+02 7.955937470e+01 1.322385174e+02 1.46 2.138354753e+02 1.144318738e+02 1.843635453e+02 2.138613263e+02 2.138818932e+02 6.622269021e+01 1.220190264e+02 1.930588859e+02 7.303777648e+01 1.224318538e+02 1.48 1.992149284e+02 1.055943471e+02 1.713969759e+02 1.992334283e+02 1.992517355e+02 6.084065581e+01 1.128500781e+02 1.796103263e+02 6.699800038e+01 1.133231449e+02 1.50 1.855977912e+02 9.739953001e+01 1.593364004e+02 1.856080627e+02 1.856229879e+02 5.584108371e+01 1.043377272e+02 1.670934586e+02 6.140190670e+01 1.048577267e+02 1.52 1.729086795e+02 8.979757525e+01 1.481152291e+02 1.729112172e+02 1.729219668e+02 5.119478510e+01 9.643040354e+01 1.554376416e+02 5.621435142e+01 9.698632445e+01 1.54 1.610783525e+02 8.274221477e+01 1.376706112e+02 1.610744904e+02 1.610805315e+02 4.687478015e+01 8.908058316e+01 1.445782065e+02 5.140310786e+01 8.966438441e+01 1.56 1.500431206e+02 7.619044469e+01 1.279435303e+02 1.500346820e+02 1.500357774e+02 4.285601316e+01 8.224489984e+01 1.344557563e+02 4.693880619e+01 8.285111907e+01 1.58 1.397446357e+02 7.010258340e+01 1.188791860e+02 1.397337262e+02 1.397300822e+02 3.911519121e+01 7.588410478e+01 1.250160359e+02 4.279465923e+01 7.650912724e+01 1.60 1.301295382e+02 6.444275027e+01 1.104272462e+02 1.301183485e+02 1.301107840e+02 3.563076842e+01 6.996258355e+01 1.162096201e+02 3.894612068e+01 7.060398360e+01 1.62 1.211487598e+02 5.917861063e+01 1.025414950e+02 1.211393369e+02 1.211293123e+02 3.238288906e+01 6.444796445e+01 1.079910549e+02 3.537042842e+01 6.510378977e+01 1.64 1.127575949e+02 5.428112630e+01 9.518032186e+01 1.127515357e+02 1.127409388e+02 2.935958195e+01 5.931064687e+01 1.003187740e+02 3.204654162e+01 5.997920011e+01 1.66 1.049150038e+02 4.972386950e+01 8.830609089e+01 1.049131505e+02 1.049038925e+02 2.657330705e+01 5.452348130e+01 9.315430397e+01 2.895506030e+01 5.520315015e+01 1.68 9.758333077e+01 4.548236669e+01 8.188471980e+01 9.758560467e+01 9.757921538e+01 2.400966363e+01 5.006142430e+01 8.646199495e+01 2.607819269e+01 5.075081696e+01 1.70 9.072777087e+01 4.153364977e+01 7.588491816e+01 9.073329509e+01 9.073069647e+01 2.165143548e+01 4.590145533e+01 8.020864650e+01 2.340990259e+01 4.659933299e+01 1.72 8.431564654e+01 3.785603644e+01 7.027760352e+01 8.432320461e+01 8.432471825e+01 1.948276900e+01 4.202239667e+01 7.436316819e+01 2.096116451e+01 4.272736264e+01 1.74 7.831623326e+01 3.442938064e+01 6.503560962e+01 7.832474886e+01 7.833022424e+01 1.748904582e+01 3.840475311e+01 6.889654440e+01 1.871579731e+01 3.911497737e+01 1.76 7.270064505e+01 3.123506544e+01 6.013361113e+01 7.270947983e+01 7.271845359e+01 1.565679180e+01 3.503041539e+01 6.378186719e+01 1.665741246e+01 3.574358952e+01 1.78 6.744173647e+01 2.825609062e+01 5.554804194e+01 6.745073327e+01 6.746256711e+01 1.397352797e+01 3.188239885e+01 5.899431140e+01 1.477091932e+01 3.259579662e+01 1.80 6.251450310e+01 2.547707584e+01 5.125709848e+01 6.252384342e+01 6.253781901e+01 1.242769241e+01 2.894477304e+01 5.451135920e+01 1.304252617e+01 2.965554394e+01 1.82 5.789589067e+01 2.288405282e+01 4.724029143e+01 5.790589208e+01 5.792127004e+01 1.100841646e+01 2.620250460e+01 5.031255110e+01 1.145964191e+01 2.690783075e+01 1.84 5.356491292e+01 2.046437433e+01 4.347846296e+01 5.357587356e+01 5.359192280e+01 9.705555970e+00 2.364150149e+01 4.637932220e+01 1.001082078e+01 2.433871068e+01 1.86 4.950259741e+01 1.822629374e+01 3.995372391e+01 4.951462559e+01 4.953061882e+01 8.509711999e+00 2.125084605e+01 4.269469646e+01 8.685615748e+00 2.193989652e+01 1.88 4.569192601e+01 1.617162190e+01 3.664960296e+01 4.570479772e+01 4.571999615e+01 7.412299577e+00 1.904244398e+01 3.924292688e+01 7.474451096e+00 1.972339075e+01 1.90 4.211744391e+01 1.428626180e+01 3.355111998e+01 4.213052448e+01 4.214418564e+01 6.405534173e+00 1.700897565e+01 3.600916477e+01 6.368448483e+00 1.767881442e+01 1.92 3.876478115e+01 1.255692807e+01 3.064482530e+01 3.877710549e+01 3.878853871e+01 5.482379348e+00 1.513703011e+01 3.297918086e+01 5.359342248e+00 1.579312926e+01 1.94 3.562026831e+01 1.097122364e+01 2.791868597e+01 3.563073657e+01 3.563938033e+01 4.636488417e+00 1.341438542e+01 3.013942042e+01 4.439437670e+00 1.405446657e+01 1.96 3.267059352e+01 9.517673488e+00 2.536181655e+01 3.267823501e+01 3.268372791e+01 3.862070822e+00 1.182984168e+01 2.747693237e+01 3.601587462e+00 1.245197117e+01 1.98 2.990289906e+01 8.185781765e+00 2.296423393e+01 2.990707049e+01 2.990927777e+01 3.153822762e+00 1.037310033e+01 2.497953368e+01 2.839217186e+00 1.097575937e+01 2.00 2.730487826e+01 6.965991255e+00 2.071651348e+01 2.730535140e+01 2.730434617e+01 2.506831330e+00 9.034642564e+00 2.263592799e+01 2.146294916e+00 9.616780219e+00 2.02 2.486497252e+01 5.849615899e+00 1.861913802e+01 2.486189743e+01 2.485791700e+01 1.916508133e+00 7.805615089e+00 2.043563029e+01 1.517306190e+00 8.366723330e+00 2.04 2.257243831e+01 4.828754713e+00 1.668166246e+01 2.256624928e+01 2.255965427e+01 1.378552711e+00 6.677777547e+00 1.838010120e+01 9.471936698e-01 7.217897549e+00 2.06 2.041739057e+01 3.896222255e+00 1.489303200e+01 2.040869798e+01 2.039995119e+01 8.889472996e-01 5.643478519e+00 1.647676215e+01 4.313049903e-01 6.163109581e+00 2.08 1.840119439e+01 3.045444375e+00 1.324212824e+01 1.839104840e+01 1.838104425e+01 4.439476727e-01 4.695642744e+00 1.471506726e+01 -3.466537843e-02 5.195575173e+00 2.10 1.653123861e+01 2.270389772e+00 1.171856100e+01 1.652055770e+01 1.651008860e+01 4.007159595e-02 3.827751698e+00 1.308515693e+01 -4.547236872e-01 4.308868471e+00 2.12 1.479758374e+01 1.565496850e+00 1.031275457e+01 1.478718487e+01 1.477699604e+01 -3.259061958e-01 3.033824253e+00 1.157792577e+01 -8.325883865e-01 3.496968501e+00 2.14 1.319084173e+01 9.255982097e-01 9.015918420e+00 1.318143848e+01 1.317221175e+01 -6.569819192e-01 2.308365631e+00 1.018500691e+01 -1.171715998e+00 2.754255280e+00 2.16 1.170240607e+01 3.458589139e-01 7.820016092e+00 1.169456508e+01 1.168685826e+01 -9.559377104e-01 1.646334398e+00 8.898679297e+00 -1.475302641e+00 2.075562640e+00 2.18 1.032441429e+01 -1.782598416e-01 6.717686899e+00 1.031850335e+01 1.031268964e+01 -1.225359386e+00 1.043080874e+00 7.711760696e+00 -1.746300214e+00 1.456156856e+00 2.20 9.049688884e+00 -6.510546686e-01 5.702185661e+00 9.045866327e+00 9.042111411e+00 -1.467624263e+00 4.943178486e-01 6.617567493e+00 -1.987418185e+00 8.917107565e-01 2.22 7.871546100e+00 -1.076581480e+00 4.767246268e+00 7.869765630e+00 7.868030969e+00 -1.684933369e+00 -3.955441001e-03 5.609834622e+00 -2.201164106e+00 3.781956261e-01 2.24 6.783830680e+00 -1.458651151e+00 3.907134579e+00 6.783868232e+00 6.783937110e+00 -1.879271162e+00 -4.554336956e-01 4.682663952e+00 -2.389835468e+00 -8.812631456e-02 2.26 5.780630117e+00 -1.800838891e+00 3.116499306e+00 5.782145133e+00 5.783680589e+00 -2.052455396e+00 -8.635822126e-01 3.830463372e+00 -2.555566175e+00 -5.108176481e-01 2.28 4.856354394e+00 -2.106444361e+00 2.390440579e+00 4.858946452e+00 4.861551684e+00 -2.206108939e+00 -1.231624091e+00 3.047951308e+00 -2.700312262e+00 -8.932289935e-01 2.30 4.005574180e+00 -2.378513979e+00 1.724401396e+00 4.008843222e+00 4.012120662e+00 -2.341848112e+00 -1.562599743e+00 2.330121537e+00 -2.825879247e+00 -1.238539876e+00 2.32 3.223149726e+00 -2.619823105e+00 1.114211691e+00 3.226736724e+00 3.230329020e+00 -2.461213111e+00 -1.859351486e+00 1.672275992e+00 -2.933905014e+00 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