# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Apostol-F-Mishin-Y--Al-Cu # implementation = 2011--Apostol-F--Al-Cu--LAMMPS--ipr1 # composition = Cu # 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 7.154138642e+02 nan 0.80 nan nan nan nan nan nan nan nan 6.871770155e+02 nan 0.82 nan nan nan nan nan nan nan nan 6.477425496e+02 nan 0.84 nan nan nan nan nan 5.879330050e+02 nan nan 6.023857598e+02 nan 0.86 nan nan nan nan nan 5.358607523e+02 nan nan 5.546414546e+02 nan 0.88 nan nan nan nan nan 4.861136474e+02 nan nan 5.068451123e+02 nan 0.90 nan nan nan nan nan 4.393994317e+02 nan nan 4.605053049e+02 nan 0.92 nan nan nan nan nan 3.960945817e+02 nan nan 4.165664133e+02 nan 0.94 nan nan nan nan nan 3.563276342e+02 nan nan 3.755681518e+02 nan 0.96 nan 4.610754062e+02 nan 6.458407442e+02 6.458511186e+02 3.200715168e+02 nan nan 3.377595689e+02 5.010118439e+02 0.98 nan 4.204089138e+02 nan 6.253474761e+02 6.253577715e+02 2.872057105e+02 4.513027103e+02 nan 3.031965960e+02 4.588572513e+02 1.00 nan 3.817853417e+02 nan 5.965250164e+02 5.965455584e+02 2.575528500e+02 4.115077655e+02 nan 2.718072015e+02 4.184825192e+02 1.02 nan 3.456369676e+02 nan 5.626968926e+02 5.627295566e+02 2.308978475e+02 3.739081875e+02 nan 2.434389060e+02 3.803835057e+02 1.04 nan 3.121743588e+02 nan 5.262336936e+02 5.262741298e+02 2.070053366e+02 3.387905824e+02 nan 2.178987141e+02 3.448309632e+02 1.06 nan 2.814626377e+02 nan 4.888095463e+02 4.888491690e+02 1.856163255e+02 3.062933866e+02 nan 1.949816329e+02 3.119395666e+02 1.08 4.515586064e+02 2.534612803e+02 3.964883987e+02 4.516032817e+02 4.516346027e+02 1.664755772e+02 2.764525076e+02 4.131440715e+02 1.744809835e+02 2.817099920e+02 1.10 4.154264686e+02 2.280524463e+02 3.622801731e+02 4.154439536e+02 4.154632915e+02 1.493507499e+02 2.492202843e+02 3.780840345e+02 1.561786132e+02 2.540754890e+02 1.12 3.808929680e+02 2.050796547e+02 3.302320148e+02 3.808914549e+02 3.808994351e+02 1.340294329e+02 2.244882705e+02 3.450694733e+02 1.398384834e+02 2.289348388e+02 1.14 3.483032338e+02 1.843744550e+02 3.004618105e+02 3.482956873e+02 3.482972628e+02 1.203205061e+02 2.021155252e+02 3.142952409e+02 1.252471515e+02 2.061666206e+02 1.16 3.178537779e+02 1.657642752e+02 2.729916446e+02 3.178508747e+02 3.178522283e+02 1.080549702e+02 1.819464786e+02 2.858355507e+02 1.122170845e+02 1.856312755e+02 1.18 2.896302023e+02 1.490759798e+02 2.477867382e+02 2.896372269e+02 2.896419179e+02 9.708410018e+01 1.638193044e+02 2.596773647e+02 1.005815083e+02 1.671731453e+02 1.20 2.636356195e+02 1.341354053e+02 2.247685012e+02 2.636510950e+02 2.636596395e+02 8.727453997e+01 1.475668205e+02 2.357480748e+02 9.018843390e+01 1.506250266e+02 1.22 2.398079148e+02 1.207501047e+02 2.038177486e+02 2.398266505e+02 2.398384375e+02 7.850106786e+01 1.330016021e+02 2.139371629e+02 8.089608923e+01 1.357957148e+02 1.24 2.180416856e+02 1.087365279e+02 1.847929857e+02 2.180598612e+02 2.180739974e+02 7.064577514e+01 1.199308439e+02 1.941117504e+02 7.257507599e+01 1.224984792e+02 1.26 1.982123276e+02 9.793729564e+01 1.675516683e+02 1.982282393e+02 1.982430328e+02 6.360324434e+01 1.081851938e+02 1.761301428e+02 6.511245991e+01 1.105679069e+02 1.28 1.801865784e+02 8.821609200e+01 1.519545003e+02 1.801986072e+02 1.802115836e+02 5.728187210e+01 9.761870662e+01 1.598483051e+02 5.841102876e+01 9.985459298e+01 1.30 1.638269826e+02 7.945278317e+01 1.378630401e+02 1.638336810e+02 1.638429045e+02 5.160132276e+01 8.810443599e+01 1.451235187e+02 5.238708626e+01 9.022085892e+01 1.32 1.489974026e+02 7.154289292e+01 1.251308598e+02 1.489987691e+02 1.490040083e+02 4.648975594e+01 7.952942100e+01 1.318162967e+02 4.696776137e+01 8.154185755e+01 1.34 1.355684850e+02 6.439612187e+01 1.136094991e+02 1.355655550e+02 1.355678789e+02 4.188299216e+01 7.179160938e+01 1.197795010e+02 4.208817934e+01 7.370760264e+01 1.36 1.234055890e+02 5.793216277e+01 1.031704359e+02 1.233997499e+02 1.234005125e+02 3.772484524e+01 6.479932744e+01 1.088750422e+02 3.769020997e+01 6.662368060e+01 1.38 1.123721117e+02 5.207861138e+01 9.370196177e+01 1.123660189e+02 1.123665092e+02 3.396645355e+01 5.847214711e+01 9.898122230e+01 3.372244288e+01 6.021033870e+01 1.40 1.023451792e+02 4.677253578e+01 8.510415230e+01 1.023430135e+02 1.023444073e+02 3.056519464e+01 5.274044936e+01 8.999113089e+01 3.013988506e+01 5.439957264e+01 1.42 9.321838845e+01 4.196104835e+01 7.728696782e+01 9.322389187e+01 9.322712045e+01 2.748392119e+01 4.754335180e+01 8.181180007e+01 2.690270548e+01 4.913108272e+01 1.44 8.490208242e+01 3.759831310e+01 7.016986550e+01 8.491568492e+01 8.492110542e+01 2.468973660e+01 4.282662883e+01 7.436245441e+01 2.397528182e+01 4.434992384e+01 1.46 7.731890859e+01 3.364164820e+01 6.368156686e+01 7.733718477e+01 7.734452070e+01 2.215272804e+01 3.854184951e+01 6.757146750e+01 2.132603220e+01 4.000627644e+01 1.48 7.039832376e+01 3.005066445e+01 5.776026011e+01 7.041654598e+01 7.042515400e+01 1.984591495e+01 3.464637394e+01 6.137419719e+01 1.892693674e+01 3.605547945e+01 1.50 6.407534456e+01 2.678871494e+01 5.235359732e+01 6.409006885e+01 6.409923375e+01 1.774598189e+01 3.110321617e+01 5.571269200e+01 1.675304599e+01 3.245804931e+01 1.52 5.829144641e+01 2.382448840e+01 4.741706070e+01 5.830153875e+01 5.831073617e+01 1.583355581e+01 2.787966510e+01 5.053582700e+01 1.478223534e+01 2.917908165e+01 1.54 5.299513378e+01 2.113157736e+01 4.291040454e+01 5.300116109e+01 5.301011763e+01 1.409224893e+01 2.494556578e+01 4.579891691e+01 1.299481749e+01 2.618803083e+01 1.56 4.814163409e+01 1.868656033e+01 3.879484476e+01 4.814450777e+01 4.815296032e+01 1.250716351e+01 2.227274446e+01 4.146253714e+01 1.137319393e+01 2.345845804e+01 1.58 4.369130809e+01 1.646733648e+01 3.503329465e+01 4.369161132e+01 4.369905609e+01 1.106452457e+01 1.983559847e+01 3.749108627e+01 9.901731025e+00 2.096697004e+01 1.60 3.960860912e+01 1.445256999e+01 3.159204337e+01 3.960669184e+01 3.961234505e+01 9.751834323e+00 1.761173254e+01 3.385242510e+01 8.566885325e+00 1.869224587e+01 1.62 3.586171543e+01 1.262210083e+01 2.844148911e+01 3.585801181e+01 3.586102656e+01 8.557751853e+00 1.558202108e+01 3.051793142e+01 7.357075732e+00 1.661486854e+01 1.64 3.242227325e+01 1.095770229e+01 2.555550911e+01 3.241755066e+01 3.241744015e+01 7.471843989e+00 1.372989536e+01 2.746244608e+01 6.262121096e+00 1.471757067e+01 1.66 2.926493506e+01 9.443881949e+00 2.291064741e+01 2.926026435e+01 2.925724689e+01 6.484338624e+00 1.204059706e+01 2.466359383e+01 5.272566076e+00 1.298502585e+01 1.68 2.636684608e+01 8.067767476e+00 2.048600120e+01 2.636342202e+01 2.635844793e+01 5.586232321e+00 1.050081673e+01 2.210096750e+01 4.379389946e+00 1.140344884e+01 1.70 2.370743469e+01 6.818346193e+00 1.826339794e+01 2.370620363e+01 2.370057986e+01 4.769527356e+00 9.098366690e+00 1.975574840e+01 3.574135312e+00 9.960465035e+00 1.72 2.126840119e+01 5.685614314e+00 1.622721404e+01 2.126956253e+01 2.126441073e+01 4.027248263e+00 7.821943730e+00 1.761056629e+01 2.849097788e+00 8.645208494e+00 1.74 1.903334193e+01 4.660005794e+00 1.436355604e+01 1.903613119e+01 1.903205849e+01 3.353109565e+00 6.661206084e+00 1.564920212e+01 2.197307294e+00 7.448157720e+00 1.76 1.698683489e+01 3.732265647e+00 1.265927433e+01 1.698985464e+01 1.698699795e+01 2.741147482e+00 5.606841828e+00 1.385607974e+01 1.612330668e+00 6.360498829e+00 1.78 1.511366937e+01 2.893653472e+00 1.110148328e+01 1.511564855e+01 1.511394072e+01 2.185602628e+00 4.650469333e+00 1.221609849e+01 1.088082588e+00 5.373561399e+00 1.80 1.339875209e+01 2.136252893e+00 9.677813273e+00 1.339919821e+01 1.339860378e+01 1.681156787e+00 3.784480263e+00 1.071506895e+01 6.186859871e-01 4.478793631e+00 1.82 1.182753083e+01 1.453109815e+00 8.376866782e+00 1.182676129e+01 1.182730405e+01 1.223224740e+00 3.001723883e+00 9.340034105e+00 1.984251938e-01 3.668139694e+00 1.84 1.038663564e+01 8.381007047e-01 7.188517660e+00 1.038538409e+01 1.038708214e+01 8.080353922e-01 2.295315576e+00 8.079537446e+00 -1.781307880e-01 2.934376364e+00 1.86 9.064246847e+00 2.857702747e-01 6.103751193e+00 9.063253839e+00 9.066075860e+00 4.323483050e-01 1.658673786e+00 6.923775642e+00 -5.159011868e-01 2.271125184e+00 1.88 7.849812866e+00 -2.087901234e-01 5.114045734e+00 7.849706631e+00 7.853590705e+00 9.296142038e-02 1.085567013e+00 5.864397187e+00 -8.191440587e-01 1.672428466e+00 1.90 6.733981984e+00 -6.500144846e-01 4.211159134e+00 6.735325067e+00 6.740196603e+00 -2.134272639e-01 5.701916010e-01 4.894288231e+00 -1.091386395e+00 1.132540316e+00 1.92 5.708828117e+00 -1.041983439e+00 3.387332159e+00 5.712082289e+00 5.717813692e+00 -4.900352423e-01 1.072161173e-01 4.007307574e+00 -1.335425337e+00 6.459905842e-01 1.94 4.767963592e+00 -1.388649536e+00 2.635538588e+00 4.773297388e+00 4.779636183e+00 -7.397893655e-01 -3.082634421e-01 3.197940746e+00 -1.553496289e+00 2.076719732e-01 1.96 3.906253889e+00 -1.694016483e+00 1.949684111e+00 3.913302218e+00 3.919837851e+00 -9.652035159e-01 -6.807510972e-01 2.460951362e+00 -1.747539920e+00 -1.871068874e-01 1.98 3.119116471e+00 -1.962152771e+00 1.324696198e+00 3.126986905e+00 3.133218293e+00 -1.168387598e+00 -1.014367314e+00 1.791144747e+00 -1.919404051e+00 -5.426294460e-01 2.00 2.401818263e+00 -2.197075241e+00 7.563906886e-01 2.409401384e+00 2.414886941e+00 -1.351171580e+00 -1.312799817e+00 1.183349958e+00 -2.070922775e+00 -8.628349031e-01 2.02 1.749266961e+00 -2.402536431e+00 2.412519868e-01 1.755624386e+00 1.760097281e+00 -1.515112489e+00 -1.579265689e+00 6.326191550e-01 -2.203901501e+00 -1.151312801e+00 2.04 1.156264689e+00 -2.581860039e+00 -2.238739163e-01 1.160869479e+00 1.164241067e+00 -1.661459357e+00 -1.816553704e+00 1.344107080e-01 -2.320066962e+00 -1.411256860e+00 2.06 6.178887675e-01 -2.737907140e+00 -6.420827438e-01 6.206480496e-01 6.229219225e-01 -1.791102669e+00 -2.027149960e+00 -3.153543112e-01 -2.421004153e+00 -1.645395883e+00 2.08 1.297585010e-01 -2.873140621e+00 -1.016622121e+00 1.308499266e-01 1.320208900e-01 -1.904888783e+00 -2.213371009e+00 -7.203380154e-01 -2.508100265e+00 -1.855930123e+00 2.10 -3.118699690e-01 -2.989743026e+00 -1.350963289e+00 -3.122329272e-01 -3.122394969e-01 -2.003805945e+00 -2.377427867e+00 -1.083957787e+00 -2.582505268e+00 -2.044541323e+00 2.12 -7.103018854e-01 -3.089661800e+00 -1.648712084e+00 -7.120078635e-01 -7.133213187e-01 -2.089001014e+00 -2.521422254e+00 -1.409541776e+00 -2.645032780e+00 -2.212541146e+00 2.14 -1.068710000e+00 -3.174626755e+00 -1.913403354e+00 -1.071723877e+00 -1.074443938e+00 -2.161715152e+00 -2.647306503e+00 -1.700352360e+00 -2.696316549e+00 -2.361129097e+00 2.16 -1.390240471e+00 -3.246153225e+00 -2.148301740e+00 -1.394502270e+00 -1.398601107e+00 -2.223185874e+00 -2.756837872e+00 -1.959520326e+00 -2.737026260e+00 -2.491620396e+00 2.18 -1.678030375e+00 -3.305534830e+00 -2.356347235e+00 -1.683367810e+00 -1.688640353e+00 -2.274559000e+00 -2.851565908e+00 -2.189981023e+00 -2.767914627e+00 -2.605519320e+00 2.20 -1.935163776e+00 -3.353838747e+00 -2.540111236e+00 -1.941256493e+00 -1.947332193e+00 -2.316825904e+00 -2.932838296e+00 -2.394444573e+00 -2.789809703e+00 -2.704441438e+00 2.22 -2.164595480e+00 -3.391918790e+00 -2.701796612e+00 -2.171000086e+00 -2.177402624e+00 -2.350808403e+00 -3.001830129e+00 -2.575373305e+00 -2.803579756e+00 -2.789972433e+00 2.24 -2.369064700e+00 -3.420453683e+00 -2.843352610e+00 -2.375294205e+00 -2.381523694e+00 -2.377210235e+00 -3.059579120e+00 -2.734998619e+00 -2.810098656e+00 -2.863532054e+00 2.26 -2.551006814e+00 -3.440006841e+00 -2.966552405e+00 -2.556618612e+00 -2.562230409e+00 -2.396664357e+00 -3.107023306e+00 -2.875332543e+00 -2.810214071e+00 -2.926261869e+00 2.28 -2.712461880e+00 -3.451091769e+00 -3.073027606e+00 -2.717128855e+00 -2.721795829e+00 -2.409765455e+00 -3.145035020e+00 -2.998125628e+00 -2.804704447e+00 -2.978964892e+00 2.30 -2.855065303e+00 -3.454177009e+00 -3.164284672e+00 -2.858615794e+00 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