# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1999--Liu-X-Y-Liu-C-L-Borucki-L-J--Al-Cu # implementation = 1999--Liu-X-Y--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 1.670993275e+02 nan 0.74 nan nan nan nan nan nan nan nan 1.524328549e+02 nan 0.76 nan nan nan nan nan nan nan nan 1.393092701e+02 nan 0.78 nan nan nan nan nan 1.111747944e+02 nan nan 1.276628744e+02 nan 0.80 nan nan nan nan nan 1.027928792e+02 nan nan 1.173499789e+02 nan 0.82 nan nan nan nan nan 9.526190910e+01 nan nan 1.081740475e+02 nan 0.84 nan nan nan nan nan 8.840200960e+01 nan nan 1.000753316e+02 nan 0.86 nan nan nan nan nan 8.205024427e+01 nan nan 9.286167479e+01 nan 0.88 nan nan nan 1.747095421e+02 1.750088061e+02 7.610558815e+01 nan nan 8.635669018e+01 1.176590665e+02 0.90 nan 1.109122811e+02 nan 1.626160087e+02 1.629405845e+02 7.048076806e+01 1.103205017e+02 nan 8.042432784e+01 1.093789365e+02 0.92 nan 1.027962370e+02 nan 1.514684905e+02 1.517111566e+02 6.509891757e+01 1.024819602e+02 nan 7.495274941e+01 1.019432021e+02 0.94 nan 9.524694153e+01 nan 1.411588110e+02 1.412215414e+02 5.992561172e+01 9.545193225e+01 nan 6.987717952e+01 9.522841146e+01 0.96 nan 8.816720825e+01 nan 1.316469447e+02 1.315634638e+02 5.515001940e+01 8.916961920e+01 nan 6.518020505e+01 8.911899328e+01 0.98 nan 8.169239808e+01 nan 1.228191064e+02 1.226564449e+02 5.077653455e+01 8.351190851e+01 nan 6.080845498e+01 8.349330438e+01 1.00 nan 7.581755852e+01 1.027774187e+02 1.145569895e+02 1.143744893e+02 4.674116921e+01 7.837246996e+01 1.068843912e+02 5.670464307e+01 7.826153292e+01 1.02 1.069026697e+02 7.056248931e+01 9.595218171e+01 1.067583390e+02 1.066082577e+02 4.298412707e+01 7.365298085e+01 9.939675797e+01 5.286990099e+01 7.335491503e+01 1.04 9.944888119e+01 6.585404072e+01 8.970692375e+01 9.937410080e+01 9.929436969e+01 3.946206221e+01 6.928103457e+01 9.253796509e+01 4.927236204e+01 6.873054400e+01 1.06 9.271404798e+01 6.165148262e+01 8.393765807e+01 9.268997806e+01 9.266505984e+01 3.613747029e+01 6.520006644e+01 8.640427507e+01 4.587029287e+01 6.447207355e+01 1.08 8.668550002e+01 5.788140283e+01 7.857718957e+01 8.668528705e+01 8.668694156e+01 3.297673191e+01 6.135754497e+01 8.089509359e+01 4.262882543e+01 6.054620108e+01 1.10 8.125679865e+01 5.447670964e+01 7.357014422e+01 8.126059589e+01 8.126628392e+01 2.996337559e+01 5.771964644e+01 7.591959597e+01 3.952056284e+01 5.689344261e+01 1.12 7.634858259e+01 5.138449516e+01 6.902894971e+01 7.635091886e+01 7.635611960e+01 2.724528289e+01 5.430888478e+01 7.139995110e+01 3.660086254e+01 5.347583601e+01 1.14 7.188412517e+01 4.855253261e+01 6.493804521e+01 7.188633625e+01 7.189191334e+01 2.483961458e+01 5.109483609e+01 6.726632651e+01 3.387849203e+01 5.025534443e+01 1.16 6.779289159e+01 4.594454246e+01 6.123905299e+01 6.779950985e+01 6.780581918e+01 2.270541062e+01 4.804771703e+01 6.346171469e+01 3.132729225e+01 4.719801497e+01 1.18 6.402734181e+01 4.352790618e+01 5.788116722e+01 6.403632753e+01 6.404284400e+01 2.081261776e+01 4.514033787e+01 5.993974417e+01 2.892404055e+01 4.427495687e+01 1.20 6.054138556e+01 4.126789140e+01 5.481561152e+01 6.054889523e+01 6.055550499e+01 1.913260522e+01 4.234562217e+01 5.665921277e+01 2.664830094e+01 4.146555742e+01 1.22 5.728601115e+01 3.913779509e+01 5.199211229e+01 5.729557215e+01 5.730330084e+01 1.763313558e+01 3.964440884e+01 5.361048252e+01 2.454965120e+01 3.874299131e+01 1.24 5.423486377e+01 3.712111300e+01 4.938626791e+01 5.424453937e+01 5.425314636e+01 1.629486804e+01 3.707783652e+01 5.076550599e+01 2.263805045e+01 3.610005926e+01 1.26 5.135480518e+01 3.519729479e+01 4.696520126e+01 5.136387194e+01 5.137205156e+01 1.509550933e+01 3.469856523e+01 4.809560289e+01 2.088710989e+01 3.352066147e+01 1.28 4.865376312e+01 3.334606890e+01 4.470274936e+01 4.865995228e+01 4.866671240e+01 1.401788928e+01 3.248590133e+01 4.559473096e+01 1.927949372e+01 3.106057494e+01 1.30 4.615673783e+01 3.155923914e+01 4.257335026e+01 4.616361914e+01 4.616968649e+01 1.304566449e+01 3.042005876e+01 4.327614405e+01 1.779753508e+01 2.881901224e+01 1.32 4.384644285e+01 2.982624088e+01 4.055309890e+01 4.385123807e+01 4.385603495e+01 1.216320827e+01 2.848256833e+01 4.111864966e+01 1.642546536e+01 2.677445297e+01 1.34 4.169814819e+01 2.813696223e+01 3.862895455e+01 4.170066209e+01 4.170435512e+01 1.135892808e+01 2.665479358e+01 3.909912005e+01 1.514796007e+01 2.489712869e+01 1.36 3.969022036e+01 2.648009262e+01 3.678629829e+01 3.968885860e+01 3.969159096e+01 1.062185446e+01 2.492309446e+01 3.719856267e+01 1.395404127e+01 2.317458666e+01 1.38 3.779919932e+01 2.484692098e+01 3.500982886e+01 3.779720410e+01 3.779947773e+01 9.940451979e+00 2.327516846e+01 3.539938287e+01 1.283406522e+01 2.158863532e+01 1.40 3.600628130e+01 2.323613082e+01 3.329176340e+01 3.600814169e+01 3.601063123e+01 9.310049549e+00 2.169919255e+01 3.368761848e+01 1.177618292e+01 2.012254394e+01 1.42 3.430565365e+01 2.164323278e+01 3.162222666e+01 3.430967641e+01 3.431232317e+01 8.723330862e+00 2.018667794e+01 3.205362959e+01 1.077321482e+01 1.876498832e+01 1.44 3.268221343e+01 2.006306829e+01 2.998997681e+01 3.268825767e+01 3.269157038e+01 8.173933227e+00 1.873457048e+01 3.048517107e+01 9.818718082e+00 1.750252052e+01 1.46 3.112563523e+01 1.849216961e+01 2.838461725e+01 3.113258313e+01 3.113631531e+01 7.654173532e+00 1.736942411e+01 2.897389244e+01 8.907701811e+00 1.632416051e+01 1.48 2.962798659e+01 1.696524572e+01 2.680385108e+01 2.963392719e+01 2.963756950e+01 7.160019379e+00 1.609073837e+01 2.750957814e+01 8.059987672e+00 1.522051521e+01 1.50 2.817918060e+01 1.550712182e+01 2.524609795e+01 2.818431485e+01 2.818804276e+01 6.689186741e+00 1.488898613e+01 2.608584961e+01 7.277184094e+00 1.418119976e+01 1.52 2.677115118e+01 1.411289526e+01 2.370620379e+01 2.677634974e+01 2.678041277e+01 6.237544666e+00 1.375563636e+01 2.469708642e+01 6.552105447e+00 1.319774282e+01 1.54 2.539993239e+01 1.277645700e+01 2.217920071e+01 2.540488650e+01 2.540921727e+01 5.800946059e+00 1.268300255e+01 2.333843450e+01 5.877256581e+00 1.226569496e+01 1.56 2.405977674e+01 1.149172980e+01 2.067604829e+01 2.406276241e+01 2.406730437e+01 5.378224394e+00 1.166301142e+01 2.200408409e+01 5.247140055e+00 1.137876759e+01 1.58 2.274304970e+01 1.025325534e+01 1.923836307e+01 2.274563226e+01 2.275033832e+01 4.966932623e+00 1.069041175e+01 2.068859799e+01 4.657388224e+00 1.052874615e+01 1.60 2.144755201e+01 9.056344540e+00 1.786349928e+01 2.144950267e+01 2.145360575e+01 4.564959811e+00 9.760454246e+00 1.939007762e+01 4.103654682e+00 9.712826887e+00 1.62 2.017052260e+01 7.929461045e+00 1.654512815e+01 2.017088807e+01 2.017342576e+01 4.170485489e+00 8.865893286e+00 1.810483120e+01 3.582351456e+00 8.927630788e+00 1.64 1.890866366e+01 6.890430238e+00 1.527752219e+01 1.890765116e+01 1.890882385e+01 3.781943585e+00 8.004846125e+00 1.683131376e+01 3.089782955e+00 8.169238062e+00 1.66 1.765648224e+01 5.932285089e+00 1.405316459e+01 1.765559471e+01 1.765601867e+01 3.396813853e+00 7.173461170e+00 1.556485239e+01 2.622495116e+00 7.431977770e+00 1.68 1.641205816e+01 5.048467556e+00 1.286786940e+01 1.641250718e+01 1.641268682e+01 3.014182259e+00 6.367100394e+00 1.430507872e+01 2.177009824e+00 6.713230496e+00 1.70 1.517602250e+01 4.233093219e+00 1.171987178e+01 1.517762762e+01 1.517759043e+01 2.634284726e+00 5.589299599e+00 1.305115201e+01 1.751480072e+00 6.012573217e+00 1.72 1.394648223e+01 3.480224416e+00 1.060530948e+01 1.394863411e+01 1.394840384e+01 2.256248927e+00 4.847896301e+00 1.180163187e+01 1.343050835e+00 5.327545824e+00 1.74 1.272181653e+01 2.784415803e+00 9.520704944e+00 1.272324348e+01 1.272284063e+01 1.879335675e+00 4.140103422e+00 1.055878723e+01 9.498221689e-01 4.655977420e+00 1.76 1.150023615e+01 2.139853674e+00 8.461278853e+00 1.150123070e+01 1.150087947e+01 1.501271761e+00 3.462162350e+00 9.368723059e+00 5.702828037e-01 3.995130825e+00 1.78 1.028027628e+01 1.542066956e+00 7.424259944e+00 1.028108220e+01 1.028096824e+01 1.121649419e+00 2.812426791e+00 8.242213731e+00 2.026491463e-01 3.343283051e+00 1.80 9.083501644e+00 9.905035416e-01 6.423601854e+00 9.084136423e+00 9.084225765e+00 7.487447381e-01 2.195493528e+00 7.181637995e+00 -1.490563889e-01 2.710881044e+00 1.82 7.974197772e+00 4.884631679e-01 5.500399125e+00 7.974675132e+00 7.974937836e+00 4.042615098e-01 1.630404316e+00 6.202126832e+00 -4.698966481e-01 2.129162440e+00 1.84 6.951706053e+00 3.276759553e-02 4.652593081e+00 6.951564404e+00 6.951974207e+00 8.837977032e-02 1.114641565e+00 5.301440551e+00 -7.617858695e-01 1.596984700e+00 1.86 6.009712933e+00 -3.817578968e-01 3.874486016e+00 6.008726519e+00 6.009260335e+00 -2.006940465e-01 6.446492192e-01 4.472129858e+00 -1.027462527e+00 1.110460116e+00 1.88 5.139532800e+00 -7.564262361e-01 3.160819735e+00 5.138866466e+00 5.139859957e+00 -4.646669799e-01 2.167502967e-01 3.708892090e+00 -1.269063377e+00 6.660135170e-01 1.90 4.335701449e+00 -1.094603520e+00 2.506711036e+00 4.336516434e+00 4.338310452e+00 -7.051729977e-01 -1.724498555e-01 3.008494751e+00 -1.486987820e+00 2.603345142e-01 1.92 3.596689923e+00 -1.399393122e+00 1.907182110e+00 3.598698271e+00 3.601081436e+00 -9.237686682e-01 -5.260741250e-01 2.366408651e+00 -1.683117315e+00 -1.096386313e-01 1.94 2.917704257e+00 -1.673645559e+00 1.356024585e+00 2.920135359e+00 2.922406172e+00 -1.121933851e+00 -8.474624129e-01 1.778206113e+00 -1.859143336e+00 -4.467395032e-01 1.96 2.294285402e+00 -1.919979470e+00 8.521231813e-01 2.297081658e+00 2.299246206e+00 -1.301074536e+00 -1.139076507e+00 1.239781307e+00 -2.015988796e+00 -7.535872931e-01 1.98 1.722288218e+00 -2.140799328e+00 3.899325014e-01 1.724924611e+00 1.726989279e+00 -1.463515286e+00 -1.403825680e+00 7.473025281e-01 -2.155026658e+00 -1.032603785e+00 2.00 1.197863687e+00 -2.338526930e+00 -3.277195560e-02 1.200109562e+00 1.202080584e+00 -1.609019634e+00 -1.643145324e+00 2.963543871e-01 -2.277550739e+00 -1.286036758e+00 2.02 7.174390680e-01 -2.515320764e+00 -4.180625576e-01 7.193326894e-01 7.212161067e-01 -1.738709534e+00 -1.859442824e+00 -1.153385567e-01 -2.384770371e+00 -1.516306425e+00 2.04 2.767936687e-01 -2.672595972e+00 -7.688680210e-01 2.785953076e-01 2.803969464e-01 -1.854219011e+00 -2.054634846e+00 -4.907933853e-01 -2.478159869e+00 -1.727847840e+00 2.06 -1.261851579e-01 -2.811676186e+00 -1.087896990e+00 -1.244597094e-01 -1.227342608e-01 -1.956585060e+00 -2.230082931e+00 -8.328244517e-01 -2.557605447e+00 -1.919124952e+00 2.08 -4.943222360e-01 -2.933810878e+00 -1.377654293e+00 -4.926999032e-01 -4.910775705e-01 -2.046779710e+00 -2.387078638e+00 -1.144037489e+00 -2.625625036e+00 -2.091338986e+00 2.10 -8.302746041e-01 -3.040178968e+00 -1.640456145e+00 -8.293893035e-01 -8.285040028e-01 -2.125712945e+00 -2.526846213e+00 -1.426909007e+00 -2.682510080e+00 -2.245744474e+00 2.12 -1.136504898e+00 -3.132220713e+00 -1.878443646e+00 -1.136290001e+00 -1.136075103e+00 -2.194235635e+00 -2.650544279e+00 -1.684427236e+00 -2.729245235e+00 -2.383528888e+00 2.14 -1.415296869e+00 -3.210983612e+00 -2.093581087e+00 -1.415682415e+00 -1.416067961e+00 -2.253124357e+00 -2.759268970e+00 -1.917746008e+00 -2.767222139e+00 -2.505815972e+00 2.16 -1.668764463e+00 -3.277085965e+00 -2.288301606e+00 -1.669687572e+00 -1.670610681e+00 -2.303848403e+00 -2.854337337e+00 -2.128774821e+00 -2.796495191e+00 -2.613666252e+00 2.18 -1.898867848e+00 -3.332758995e+00 -2.463954660e+00 -1.900272032e+00 -1.901676215e+00 -2.346454926e+00 -2.937051672e+00 -2.319287485e+00 -2.817789707e+00 -2.708081544e+00 2.20 -2.107421524e+00 -3.377492733e+00 -2.622090144e+00 -2.109256178e+00 -2.111090832e+00 -2.381470155e+00 -3.007649483e+00 -2.491190996e+00 -2.831848393e+00 -2.790005732e+00 2.22 -2.296943598e+00 -3.411457870e+00 -2.763805263e+00 -2.298954168e+00 -2.300964738e+00 -2.409500452e+00 -3.067007622e+00 -2.647102795e+00 -2.839299816e+00 -2.861214018e+00 2.24 -2.469993700e+00 -3.436064625e+00 -2.890135613e+00 -2.471719608e+00 -2.473445516e+00 -2.431110041e+00 -3.115118718e+00 -2.787475170e+00 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