# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNi3 # 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 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 4.916118701e+02 nan nan 0.92 4.438297909e+02 nan nan 0.94 4.008403413e+02 nan nan 0.96 3.621445271e+02 nan nan 0.98 3.272936613e+02 4.943344519e+02 nan 1.00 2.958857258e+02 4.501277792e+02 5.147710960e+02 1.02 2.675759169e+02 4.100113295e+02 4.702613612e+02 1.04 2.420509233e+02 3.735850070e+02 4.297098452e+02 1.06 2.190248602e+02 3.404951385e+02 3.927416824e+02 1.08 1.982517400e+02 3.104237546e+02 3.590229384e+02 1.10 1.795039017e+02 2.830790117e+02 3.282568445e+02 1.12 1.625818331e+02 2.582060419e+02 3.001707243e+02 1.14 1.473037652e+02 2.355752810e+02 2.745292957e+02 1.16 1.335031306e+02 2.149827134e+02 2.511151960e+02 1.18 1.210309185e+02 1.962335419e+02 2.297294495e+02 1.20 1.097565885e+02 1.791624845e+02 2.101968835e+02 1.22 9.955911127e+01 1.636145290e+02 1.923524978e+02 1.24 9.032730686e+01 1.494506135e+02 1.760499202e+02 1.26 8.197053579e+01 1.365417531e+02 1.611494528e+02 1.28 7.440039662e+01 1.247702945e+02 1.475323219e+02 1.30 6.753904423e+01 1.140347774e+02 1.350853342e+02 1.32 6.131258993e+01 1.042397521e+02 1.237063164e+02 1.34 5.566051862e+01 9.529735417e+01 1.132980694e+02 1.36 5.052686881e+01 8.713209786e+01 1.037741692e+02 1.38 4.586231553e+01 7.967370374e+01 9.506096797e+01 1.40 4.162027816e+01 7.285607316e+01 8.708441253e+01 1.42 3.776000057e+01 6.661926703e+01 7.978160039e+01 1.44 3.424379302e+01 6.091385083e+01 7.309399515e+01 1.46 3.104145258e+01 5.569291492e+01 6.696597059e+01 1.48 2.812306566e+01 5.091189282e+01 6.134958181e+01 1.50 2.546213102e+01 4.653213422e+01 5.620074699e+01 1.52 2.303486271e+01 4.251905958e+01 5.147823927e+01 1.54 2.081951497e+01 3.884035129e+01 4.714220139e+01 1.56 1.879674909e+01 3.546669672e+01 4.316164034e+01 1.58 1.694703617e+01 3.237158402e+01 3.950688177e+01 1.60 1.525831661e+01 2.953097584e+01 3.614991019e+01 1.62 1.371487586e+01 2.692024575e+01 3.306250622e+01 1.64 1.230552848e+01 2.452236121e+01 3.022468106e+01 1.66 1.101998683e+01 2.231980797e+01 2.761539470e+01 1.68 9.791627942e+00 2.029638880e+01 2.521540197e+01 1.70 8.695198325e+00 1.843674041e+01 2.300710683e+01 1.72 7.651652590e+00 1.672523363e+01 2.097437280e+01 1.74 6.662608961e+00 1.515260919e+01 1.910354136e+01 1.76 5.727099869e+00 1.370758099e+01 1.738145883e+01 1.78 4.844291202e+00 1.237986832e+01 1.579612788e+01 1.80 4.014993696e+00 1.116138646e+01 1.433659314e+01 1.82 3.237635680e+00 1.002093897e+01 1.299186145e+01 1.84 2.510785599e+00 8.944348829e+00 1.175161488e+01 1.86 1.833071675e+00 7.963901899e+00 1.061130768e+01 1.88 1.202937698e+00 7.028495514e+00 9.561527098e+00 1.90 6.186948915e-01 6.139868857e+00 8.526190089e+00 1.92 7.857868350e-02 5.296661522e+00 7.589761930e+00 1.94 -4.184676537e-01 4.498796983e+00 6.697678175e+00 1.96 -8.738542880e-01 3.746020566e+00 5.849603946e+00 1.98 -1.290997200e+00 3.037360710e+00 5.044283571e+00 2.00 -1.671699768e+00 2.371710846e+00 4.282009677e+00 2.02 -2.017767769e+00 1.747885330e+00 3.561985734e+00 2.04 -2.330999183e+00 1.164615609e+00 2.883297070e+00 2.06 -2.613564884e+00 6.205662915e-01 2.244926143e+00 2.08 -2.867194684e+00 1.143155068e-01 1.645768723e+00 2.10 -3.093129174e+00 -3.559733461e-01 1.084602832e+00 2.12 -3.293127290e+00 -7.898807358e-01 5.599269427e-01 2.14 -3.468804787e+00 -1.189838315e+00 7.084552548e-02 2.16 -3.622088571e+00 -1.558065514e+00 -3.847005682e-01 2.18 -3.753399127e+00 -1.895954257e+00 -8.062249095e-01 2.20 -3.864936737e+00 -2.204837240e+00 -1.195738182e+00 2.22 -3.958146374e+00 -2.486242570e+00 -1.555173702e+00 2.24 -4.034381057e+00 -2.741464087e+00 -1.885844084e+00 2.26 -4.094934749e+00 -2.971826319e+00 -2.189054724e+00 2.28 -4.141041415e+00 -3.178673673e+00 -2.466110462e+00 2.30 -4.173874426e+00 -3.363319492e+00 -2.718284138e+00 2.32 -4.194546346e+00 -3.527043563e+00 -2.946824052e+00 2.34 -4.204109054e+00 -3.671090068e+00 -3.152958143e+00 2.36 -4.203554183e+00 -3.796353607e+00 -3.337887197e+00 2.38 -4.193814015e+00 -3.903770440e+00 -3.502782684e+00 2.40 -4.175692899e+00 -3.995078982e+00 -3.648791100e+00 2.42 -4.150431526e+00 -4.071799625e+00 -3.777705367e+00 2.44 -4.118557776e+00 -4.134520492e+00 -3.889070493e+00 2.46 -4.080632474e+00 -4.184230811e+00 -3.984726603e+00 2.48 -4.037304120e+00 -4.221885022e+00 -4.065704030e+00 2.50 -3.989186928e+00 -4.248395883e+00 -4.133106862e+00 2.52 -3.936227735e+00 -4.265573726e+00 -4.187729350e+00 2.54 -3.878553323e+00 -4.273736386e+00 -4.230455585e+00 2.56 -3.817762684e+00 -4.273180065e+00 -4.262143614e+00 2.58 -3.755182319e+00 -4.264645266e+00 -4.283612935e+00 2.60 -3.690582908e+00 -4.248828713e+00 -4.295644495e+00 2.62 -3.623977324e+00 -4.226278620e+00 -4.298980902e+00 2.64 -3.555701998e+00 -4.197721314e+00 -4.294326697e+00 2.66 -3.486050392e+00 -4.163739512e+00 -4.282348817e+00 2.68 -3.415749258e+00 -4.124874704e+00 -4.263663899e+00 2.70 -3.344653206e+00 -4.081631924e+00 -4.238775544e+00 2.72 -3.272747996e+00 -4.034480731e+00 -4.208348692e+00 2.74 -3.200271865e+00 -3.983419962e+00 -4.172906030e+00 2.76 -3.127612189e+00 -3.928177135e+00 -4.132943585e+00 2.78 -3.054948896e+00 -3.870376265e+00 -4.089671171e+00 2.80 -2.982475740e+00 -3.810347616e+00 -4.043747565e+00 2.82 -2.910261402e+00 -3.748360691e+00 -3.993795355e+00 2.84 -2.838428875e+00 -3.684703382e+00 -3.940191783e+00 2.86 -2.767088301e+00 -3.619640625e+00 -3.884086805e+00 2.88 -2.696338007e+00 -3.553415854e+00 -3.825794132e+00 2.90 -2.626265509e+00 -3.486266650e+00 -3.765603766e+00 2.92 -2.556948455e+00 -3.418537954e+00 -3.703784004e+00 2.94 -2.488455433e+00 -3.350278339e+00 -3.640582662e+00 2.96 -2.420846716e+00 -3.282366362e+00 -3.576228284e+00 2.98 -2.354174961e+00 -3.214005512e+00 -3.510931365e+00 3.00 -2.288485947e+00 -3.145549071e+00 -3.444885324e+00 3.02 -2.223819415e+00 -3.077114884e+00 -3.378271329e+00 3.04 -2.160209022e+00 -3.008823712e+00 -3.311179235e+00 3.06 -2.097680232e+00 -2.940784442e+00 -3.243567396e+00 3.08 -2.036261427e+00 -2.873095451e+00 -3.175853603e+00 3.10 -1.976197700e+00 -2.805845420e+00 -3.108155792e+00 3.12 -1.917109531e+00 -2.739114128e+00 -3.040588558e+00 3.14 -1.858642629e+00 -2.672973153e+00 -2.973253958e+00 3.16 -1.801155263e+00 -2.607486516e+00 -2.906244503e+00 3.18 -1.744923671e+00 -2.542711309e+00 -2.839643888e+00 3.20 -1.689897711e+00 -2.478698269e+00 -2.773524460e+00 3.22 -1.636185476e+00 -2.415492141e+00 -2.708120183e+00 3.24 -1.583667455e+00 -2.353132184e+00 -2.643358318e+00 3.26 -1.532286836e+00 -2.291652986e+00 -2.579253862e+00 3.28 -1.482017625e+00 -2.231084636e+00 -2.515856621e+00 3.30 -1.432871501e+00 -2.171450643e+00 -2.453210846e+00 3.32 -1.384864354e+00 -2.112774653e+00 -2.391355702e+00 3.34 -1.337992865e+00 -2.055103344e+00 -2.330325605e+00 3.36 -1.292241888e+00 -1.998367305e+00 -2.270150874e+00 3.38 -1.247605851e+00 -1.942526250e+00 -2.210859291e+00 3.40 -1.204062557e+00 -1.887530849e+00 -2.152648825e+00 3.42 -1.161618425e+00 -1.833474330e+00 -2.095784367e+00 3.44 -1.120205664e+00 -1.780338239e+00 -2.039857190e+00 3.46 -1.079779886e+00 -1.728273887e+00 -1.984952795e+00 3.48 -1.040373703e+00 -1.677264893e+00 -1.930769831e+00 3.50 -1.002049065e+00 -1.627296753e+00 -1.877101303e+00 3.52 -9.648536286e-01 -1.578354385e+00 -1.824257002e+00 3.54 -9.288068974e-01 -1.530414920e+00 -1.772463769e+00 3.56 -8.937168567e-01 -1.483458850e+00 -1.721676181e+00 3.58 -8.595628439e-01 -1.437473970e+00 -1.671870414e+00 3.60 -8.263536869e-01 -1.392477842e+00 -1.623058676e+00 3.62 -7.941036500e-01 -1.348478001e+00 -1.575228932e+00 3.64 -7.628290626e-01 -1.305461394e+00 -1.528354704e+00 3.66 -7.325458928e-01 -1.263413598e+00 -1.482413984e+00 3.68 -7.034156280e-01 -1.222338025e+00 -1.437408028e+00 3.70 -6.754523631e-01 -1.182214906e+00 -1.393343199e+00 3.72 -6.481714219e-01 -1.143032367e+00 -1.350223845e+00 3.74 -6.212138258e-01 -1.104748525e+00 -1.308056424e+00 3.76 -5.943168190e-01 -1.067331274e+00 -1.266822694e+00 3.78 -5.674071721e-01 -1.030806600e+00 -1.226500973e+00 3.80 -5.404738763e-01 -9.951492921e-01 -1.187094795e+00 3.82 -5.135366181e-01 -9.603725106e-01 -1.148613152e+00 3.84 -4.866365749e-01 -9.265625483e-01 -1.111013982e+00 3.86 -4.598291080e-01 -8.937770078e-01 -1.074200291e+00 3.88 -4.331486590e-01 -8.619539480e-01 -1.038227076e+00 3.90 -4.065466150e-01 -8.310439273e-01 -1.003147182e+00 3.92 -3.804021540e-01 -8.010435017e-01 -9.689989636e-01 3.94 -3.578319467e-01 -7.720142305e-01 -9.358988954e-01 3.96 -3.359709239e-01 -7.438209310e-01 -9.035328130e-01 3.98 -3.149065785e-01 -7.163321896e-01 -8.720151223e-01 4.00 -2.946907849e-01 -6.894732268e-01 -8.414056050e-01 4.02 -2.753558279e-01 -6.633343825e-01 -8.116860254e-01 4.04 -2.569172007e-01 -6.376920873e-01 -7.828448177e-01 4.06 -2.393771103e-01 -6.123014590e-01 -7.548747624e-01 4.08 -2.227273662e-01 -5.869689155e-01 -7.277862206e-01 4.10 -2.069517559e-01 -5.616107837e-01 -7.017953138e-01 4.12 -1.920279964e-01 -5.362351269e-01 -6.766346430e-01 4.14 -1.779293299e-01 -5.108541707e-01 -6.519561081e-01 4.16 -1.646258122e-01 -4.857182939e-01 -6.275127208e-01 4.18 -1.520853570e-01 -4.623266254e-01 -6.031312697e-01 4.20 -1.402745813e-01 -4.391536733e-01 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-1.267782682e-01 -1.852440295e-01 4.58 -2.675290249e-02 -1.162652041e-01 -1.701423617e-01 4.60 -2.398924116e-02 -1.063491224e-01 -1.558551234e-01 4.62 -2.139891171e-02 -9.700083985e-02 -1.423530058e-01 4.64 -1.897120465e-02 -8.819168845e-02 -1.296047719e-01 4.66 -1.669605250e-02 -7.989369965e-02 -1.175780092e-01 4.68 -1.456399487e-02 -7.207974402e-02 -1.062397370e-01 4.70 -1.256614610e-02 -6.472363765e-02 -9.555689631e-02 4.72 -1.069416159e-02 -5.780020621e-02 -8.549672138e-02 4.74 -8.940206727e-03 -5.128532896e-02 -7.602703323e-02 4.76 -7.296927372e-03 -4.515596200e-02 -6.711646327e-02 4.78 -5.760172355e-03 -3.940103659e-02 -5.875121550e-02 4.80 -4.325927944e-03 -3.400454375e-02 -5.091670354e-02 4.82 -3.648219529e-03 -3.170134930e-02 -4.755201932e-02 4.84 -3.025995121e-03 -2.962672410e-02 -4.444008615e-02 4.86 -2.445475036e-03 -2.767014768e-02 -4.150522151e-02 4.88 -1.903992971e-03 -2.582536696e-02 -3.873805044e-02 4.90 -1.399000324e-03 -2.408624030e-02 -3.612936046e-02 4.92 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