# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan 9.205418767e+02 9.205418767e+02 nan nan 0.78 nan nan nan nan 8.238897657e+02 8.238897657e+02 nan nan 0.80 nan nan nan nan 7.376417011e+02 7.376417011e+02 nan nan 0.82 nan nan nan nan 6.605941830e+02 6.605941830e+02 nan nan 0.84 nan nan nan nan 5.917034297e+02 5.917034297e+02 nan nan 0.86 nan nan nan nan 5.300758865e+02 5.300758865e+02 nan nan 0.88 8.012748265e+02 8.012748265e+02 nan nan 4.749258675e+02 4.749258675e+02 nan nan 0.90 7.214014057e+02 7.214014057e+02 nan nan 4.255592620e+02 4.255592620e+02 nan nan 0.92 6.495768438e+02 6.495768438e+02 nan nan 3.813662286e+02 3.813662286e+02 nan nan 0.94 5.849852706e+02 5.849852706e+02 nan nan 3.418037409e+02 3.418037409e+02 nan nan 0.96 5.268880283e+02 5.268880283e+02 nan nan 3.063896293e+02 3.063896293e+02 nan nan 0.98 4.746512555e+02 4.746512555e+02 nan nan 2.746960870e+02 2.746960870e+02 7.188959182e+02 7.188959182e+02 1.00 4.276886534e+02 4.276886534e+02 6.119296695e+02 6.119296695e+02 2.463321132e+02 2.463321132e+02 6.530832879e+02 6.530832879e+02 1.02 3.854810509e+02 3.854810509e+02 5.545770958e+02 5.545770958e+02 2.209595051e+02 2.209595051e+02 5.936117900e+02 5.936117900e+02 1.04 3.475508669e+02 3.475508669e+02 5.028021968e+02 5.028021968e+02 1.982689197e+02 1.982689197e+02 5.398519343e+02 5.398519343e+02 1.06 3.134761001e+02 3.134761001e+02 4.560661677e+02 4.560661677e+02 1.779804160e+02 1.779804160e+02 4.912395839e+02 4.912395839e+02 1.08 2.828700949e+02 2.828700949e+02 4.138805214e+02 4.138805214e+02 1.598440167e+02 1.598440167e+02 4.472747763e+02 4.472747763e+02 1.10 2.553831633e+02 2.553831633e+02 3.758083969e+02 3.758083969e+02 1.436367204e+02 1.436367204e+02 4.075034878e+02 4.075034878e+02 1.12 2.307031800e+02 2.307031800e+02 3.414419288e+02 3.414419288e+02 1.291501320e+02 1.291501320e+02 3.715147901e+02 3.715147901e+02 1.14 2.085417821e+02 2.085417821e+02 3.104193317e+02 3.104193317e+02 1.162023356e+02 1.162023356e+02 3.389391927e+02 3.389391927e+02 1.16 1.886420600e+02 1.886420600e+02 2.824161328e+02 2.824161328e+02 1.046337080e+02 1.046337080e+02 3.094460604e+02 3.094460604e+02 1.18 1.707757695e+02 1.707757695e+02 2.571349223e+02 2.571349223e+02 9.429684761e+01 9.429684761e+01 2.827337171e+02 2.827337171e+02 1.20 1.547310356e+02 1.547310356e+02 2.343060610e+02 2.343060610e+02 8.505795808e+01 8.505795808e+01 2.585317785e+02 2.585317785e+02 1.22 1.403164011e+02 1.403164011e+02 2.136845692e+02 2.136845692e+02 7.679703696e+01 7.679703696e+01 2.365921529e+02 2.365921529e+02 1.24 1.273623324e+02 1.273623324e+02 1.950506498e+02 1.950506498e+02 6.940842591e+01 6.940842591e+01 2.166931259e+02 2.166931259e+02 1.26 1.157162861e+02 1.157162861e+02 1.782023040e+02 1.782023040e+02 6.279579046e+01 6.279579046e+01 1.986349194e+02 1.986349194e+02 1.28 1.052397149e+02 1.052397149e+02 1.629590162e+02 1.629590162e+02 5.687372061e+01 5.687372061e+01 1.822367614e+02 1.822367614e+02 1.30 9.580328411e+01 9.580328411e+01 1.491613520e+02 1.491613520e+02 5.156618000e+01 5.156618000e+01 1.673344776e+02 1.673344776e+02 1.32 8.730164413e+01 8.730164413e+01 1.366610338e+02 1.366610338e+02 4.680356536e+01 4.680356536e+01 1.537805506e+02 1.537805506e+02 1.34 7.963597535e+01 7.963597535e+01 1.253248686e+02 1.253248686e+02 4.252389997e+01 4.252389997e+01 1.414415149e+02 1.414415149e+02 1.36 7.271557586e+01 7.271557586e+01 1.150351937e+02 1.150351937e+02 3.867470314e+01 3.867470314e+01 1.301953857e+02 1.301953857e+02 1.38 6.646094583e+01 6.646094583e+01 1.056860618e+02 1.056860618e+02 3.520806778e+01 3.520806778e+01 1.199358783e+02 1.199358783e+02 1.40 6.080057825e+01 6.080057825e+01 9.717959322e+01 9.717959322e+01 3.208125651e+01 3.208125651e+01 1.105673412e+02 1.105673412e+02 1.42 5.567132507e+01 5.567132507e+01 8.943290179e+01 8.943290179e+01 2.925663648e+01 2.925663648e+01 1.020016346e+02 1.020016346e+02 1.44 5.101671037e+01 5.101671037e+01 8.236876976e+01 8.236876976e+01 2.669980949e+01 2.669980949e+01 9.416107466e+01 9.416107466e+01 1.46 4.678668734e+01 4.678668734e+01 7.591783156e+01 7.591783156e+01 2.438066923e+01 2.438066923e+01 8.697642993e+01 8.697642993e+01 1.48 4.293590469e+01 4.293590469e+01 7.001722149e+01 7.001722149e+01 2.227185348e+01 2.227185348e+01 8.038301415e+01 8.038301415e+01 1.50 3.942416975e+01 3.942416975e+01 6.461253897e+01 6.461253897e+01 2.035302396e+01 2.035302396e+01 7.432388790e+01 7.432388790e+01 1.52 3.621567663e+01 3.621567663e+01 5.965552666e+01 5.965552666e+01 1.860365347e+01 1.860365347e+01 6.874962653e+01 6.874962653e+01 1.54 3.327707705e+01 3.327707705e+01 5.510224917e+01 5.510224917e+01 1.700781009e+01 1.700781009e+01 6.361471505e+01 6.361471505e+01 1.56 3.058249309e+01 3.058249309e+01 5.091344788e+01 5.091344788e+01 1.554969284e+01 1.554969284e+01 5.887845359e+01 5.887845359e+01 1.58 2.810792586e+01 2.810792586e+01 4.705416730e+01 4.705416730e+01 1.421542046e+01 1.421542046e+01 5.450417888e+01 5.450417888e+01 1.60 2.583138537e+01 2.583138537e+01 4.349322865e+01 4.349322865e+01 1.299275024e+01 1.299275024e+01 5.045945852e+01 5.045945852e+01 1.62 2.373416604e+01 2.373416604e+01 4.020365794e+01 4.020365794e+01 1.187124233e+01 1.187124233e+01 4.671496495e+01 4.671496495e+01 1.64 2.179791431e+01 2.179791431e+01 3.715844032e+01 3.715844032e+01 1.078864708e+01 1.078864708e+01 4.324417762e+01 4.324417762e+01 1.66 2.000734944e+01 2.000734944e+01 3.433638241e+01 3.433638241e+01 9.788783748e+00 9.788783748e+00 4.002282717e+01 4.002282717e+01 1.68 1.835081101e+01 1.835081101e+01 3.171806150e+01 3.171806150e+01 8.831591774e+00 8.831591774e+00 3.702968983e+01 3.702968983e+01 1.70 1.681477417e+01 1.681477417e+01 2.928543954e+01 2.928543954e+01 7.916865517e+00 7.916865517e+00 3.424652796e+01 3.424652796e+01 1.72 1.539066057e+01 1.539066057e+01 2.702118275e+01 2.702118275e+01 7.043426751e+00 7.043426751e+00 3.165615145e+01 3.165615145e+01 1.74 1.407031418e+01 1.407031418e+01 2.491327388e+01 2.491327388e+01 6.213291478e+00 6.213291478e+00 2.924303912e+01 2.924303912e+01 1.76 1.284545588e+01 1.284545588e+01 2.294894504e+01 2.294894504e+01 5.426324635e+00 5.426324635e+00 2.699325071e+01 2.699325071e+01 1.78 1.165921276e+01 1.165921276e+01 2.111673181e+01 2.111673181e+01 4.682259844e+00 4.682259844e+00 2.489429374e+01 2.489429374e+01 1.80 1.055820485e+01 1.055820485e+01 1.940631891e+01 1.940631891e+01 3.980676137e+00 3.980676137e+00 2.293310861e+01 2.293310861e+01 1.82 9.502863119e+00 9.502863119e+00 1.781023673e+01 1.781023673e+01 3.320991166e+00 3.320991166e+00 2.110034750e+01 2.110034750e+01 1.84 8.493944100e+00 8.493944100e+00 1.631861649e+01 1.631861649e+01 2.702473723e+00 2.702473723e+00 1.938731847e+01 1.938731847e+01 1.86 7.531636885e+00 7.531636885e+00 1.492615138e+01 1.492615138e+01 2.125827511e+00 2.125827511e+00 1.778719383e+01 1.778719383e+01 1.88 6.616314631e+00 6.616314631e+00 1.358230087e+01 1.358230087e+01 1.587966026e+00 1.587966026e+00 1.629004651e+01 1.629004651e+01 1.90 5.748323826e+00 5.748323826e+00 1.233729978e+01 1.233729978e+01 1.087946443e+00 1.087946443e+00 1.485164749e+01 1.485164749e+01 1.92 4.927400613e+00 4.927400613e+00 1.114697070e+01 1.114697070e+01 6.245143867e-01 6.245143867e-01 1.352146861e+01 1.352146861e+01 1.94 4.153057129e+00 4.153057129e+00 1.001127921e+01 1.001127921e+01 1.962971739e-01 1.962971739e-01 1.225186292e+01 1.225186292e+01 1.96 3.424569903e+00 3.424569903e+00 8.929998060e+00 8.929998060e+00 -1.980797576e-01 -1.980797576e-01 1.104228569e+01 1.104228569e+01 1.98 2.739624037e+00 2.739624037e+00 7.902849741e+00 7.902849741e+00 -5.602836965e-01 -5.602836965e-01 9.892725717e+00 9.892725717e+00 2.00 2.099096765e+00 2.099096765e+00 6.929300006e+00 6.929300006e+00 -8.916489277e-01 -8.916489277e-01 8.802405540e+00 8.802405540e+00 2.02 1.502919780e+00 1.502919780e+00 6.008623394e+00 6.008623394e+00 -1.193547705e+00 -1.193547705e+00 7.770339904e+00 7.770339904e+00 2.04 9.481325937e-01 9.481325937e-01 5.139893155e+00 5.139893155e+00 -1.467137012e+00 -1.467137012e+00 6.795235393e+00 6.795235393e+00 2.06 4.333901164e-01 4.333901164e-01 4.322007175e+00 4.322007175e+00 -1.714162027e+00 -1.714162027e+00 5.875740888e+00 5.875740888e+00 2.08 -4.273342652e-02 -4.273342652e-02 3.553688413e+00 3.553688413e+00 -1.936534898e+00 -1.936534898e+00 5.010276921e+00 5.010276921e+00 2.10 -4.817267771e-01 -4.817267771e-01 2.833263765e+00 2.833263765e+00 -2.136021062e+00 -2.136021062e+00 4.197467744e+00 4.197467744e+00 2.12 -8.851252493e-01 -8.851252493e-01 2.159639130e+00 2.159639130e+00 -2.313768913e+00 -2.313768913e+00 3.435749056e+00 3.435749056e+00 2.14 -1.254496548e+00 -1.254496548e+00 1.532271158e+00 1.532271158e+00 -2.471223277e+00 -2.471223277e+00 2.723096514e+00 2.723096514e+00 2.16 -1.591556617e+00 -1.591556617e+00 9.487367197e-01 9.487367197e-01 -2.609781621e+00 -2.609781621e+00 2.058078015e+00 2.058078015e+00 2.18 -1.897958291e+00 -1.897958291e+00 4.068651816e-01 4.068651816e-01 -2.730791043e+00 -2.730791043e+00 1.440115293e+00 1.440115293e+00 2.20 -2.175232582e+00 -2.175232582e+00 -9.495911149e-02 -9.495911149e-02 -2.835544071e+00 -2.835544071e+00 8.657938927e-01 8.657938927e-01 2.22 -2.424665006e+00 -2.424665006e+00 -5.586532309e-01 -5.586532309e-01 -2.925400629e+00 -2.925400629e+00 3.333115355e-01 3.333115355e-01 2.24 -2.647575189e+00 -2.647575189e+00 -9.856838680e-01 -9.856838680e-01 -3.001434331e+00 -3.001434331e+00 -1.591612863e-01 -1.591612863e-01 2.26 -2.845993923e+00 -2.845993923e+00 -1.377633946e+00 -1.377633946e+00 -3.064642978e+00 -3.064642978e+00 -6.135258591e-01 -6.135258591e-01 2.28 -3.021643573e+00 -3.021643573e+00 -1.736177941e+00 -1.736177941e+00 -3.115962464e+00 -3.115962464e+00 -1.031548743e+00 -1.031548743e+00 2.30 -3.175881255e+00 -3.175881255e+00 -2.062972413e+00 -2.062972413e+00 -3.156565440e+00 -3.156565440e+00 -1.414996332e+00 -1.414996332e+00 2.32 -3.310037784e+00 -3.310037784e+00 -2.359650054e+00 -2.359650054e+00 -3.187375622e+00 -3.187375622e+00 -1.765676125e+00 -1.765676125e+00 2.34 -3.425480867e+00 -3.425480867e+00 -2.627814705e+00 -2.627814705e+00 -3.209257933e+00 -3.209257933e+00 -2.085332999e+00 -2.085332999e+00 2.36 -3.523531884e+00 -3.523531884e+00 -2.869036832e+00 -2.869036832e+00 -3.223015071e+00 -3.223015071e+00 -2.375502773e+00 -2.375502773e+00 2.38 -3.605462579e+00 -3.605462579e+00 -3.084472480e+00 -3.084472480e+00 -3.228855847e+00 -3.228855847e+00 -2.637814110e+00 -2.637814110e+00 2.40 -3.672494620e+00 -3.672494620e+00 -3.275653608e+00 -3.275653608e+00 -3.227547037e+00 -3.227547037e+00 -2.873882133e+00 -2.873882133e+00 2.42 -3.726068031e+00 -3.726068031e+00 -3.444791549e+00 -3.444791549e+00 -3.220395429e+00 -3.220395429e+00 -3.085321553e+00 -3.085321553e+00 2.44 -3.766992107e+00 -3.766992107e+00 -3.592879650e+00 -3.592879650e+00 -3.207875672e+00 -3.207875672e+00 -3.273146903e+00 -3.273146903e+00 2.46 -3.796320150e+00 -3.796320150e+00 -3.721269140e+00 -3.721269140e+00 -3.190503460e+00 -3.190503460e+00 -3.439153446e+00 -3.439153446e+00 2.48 -3.814907129e+00 -3.814907129e+00 -3.831274596e+00 -3.831274596e+00 -3.168774499e+00 -3.168774499e+00 -3.584732910e+00 -3.584732910e+00 2.50 -3.824028491e+00 -3.824028491e+00 -3.924161446e+00 -3.924161446e+00 -3.143145632e+00 -3.143145632e+00 -3.711225552e+00 -3.711225552e+00 2.52 -3.824369810e+00 -3.824369810e+00 -4.001637090e+00 -4.001637090e+00 -3.114664485e+00 -3.114664485e+00 -3.819918320e+00 -3.819918320e+00 2.54 -3.816737229e+00 -3.816737229e+00 -4.064685389e+00 -4.064685389e+00 -3.083379706e+00 -3.083379706e+00 -3.912044288e+00 -3.912044288e+00 2.56 -3.801908668e+00 -3.801908668e+00 -4.114163371e+00 -4.114163371e+00 -3.049317249e+00 -3.049317249e+00 -3.988780214e+00 -3.988780214e+00 2.58 -3.780628132e+00 -3.780628132e+00 -4.151112666e+00 -4.151112666e+00 -3.012798074e+00 -3.012798074e+00 -4.051345034e+00 -4.051345034e+00 2.60 -3.752839946e+00 -3.752839946e+00 -4.176524337e+00 -4.176524337e+00 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