# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--LAMMPS--ipr1 # composition = CoCu3 # 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 5.536197714e+02 nan nan 0.76 5.146331931e+02 nan nan 0.78 4.782908227e+02 nan nan 0.80 4.444143674e+02 5.289666427e+02 nan 0.82 4.128377903e+02 4.943369465e+02 5.913069902e+02 0.84 3.834064423e+02 4.618863157e+02 5.539532006e+02 0.86 3.559762545e+02 4.314783957e+02 5.188367719e+02 0.88 3.304129880e+02 4.029855718e+02 4.858282873e+02 0.90 3.065915377e+02 3.762883846e+02 4.548056139e+02 0.92 2.843952866e+02 3.512749850e+02 4.256535022e+02 0.94 2.637155064e+02 3.278406268e+02 3.982632072e+02 0.96 2.444508032e+02 3.058871933e+02 3.725321302e+02 0.98 2.265066035e+02 2.853227574e+02 3.483634792e+02 1.00 2.097946784e+02 2.660611719e+02 3.256659485e+02 1.02 1.942327022e+02 2.480216891e+02 3.043534151e+02 1.04 1.797438450e+02 2.311286065e+02 2.843446514e+02 1.06 1.662563936e+02 2.153109370e+02 2.655630543e+02 1.08 1.537034012e+02 2.005021035e+02 2.479363880e+02 1.10 1.420223626e+02 1.866396533e+02 2.313965413e+02 1.12 1.311549126e+02 1.736649932e+02 2.158792979e+02 1.14 1.210465462e+02 1.615231431e+02 2.013241197e+02 1.16 1.116463593e+02 1.501625057e+02 1.876739411e+02 1.18 1.029068071e+02 1.395346531e+02 1.748749749e+02 1.20 9.478348033e+01 1.295941265e+02 1.628765294e+02 1.22 8.723489646e+01 1.202982511e+02 1.516308342e+02 1.24 8.022230613e+01 1.116069619e+02 1.410928769e+02 1.26 7.370951254e+01 1.034826417e+02 1.312202478e+02 1.28 6.766270330e+01 9.588997012e+01 1.219729933e+02 1.30 6.205029386e+01 8.879578164e+01 1.133134781e+02 1.32 5.684278149e+01 8.216893373e+01 1.052062538e+02 1.34 5.201260910e+01 7.598018289e+01 9.761793570e+01 1.36 4.753403815e+01 7.020206885e+01 9.051708570e+01 1.38 4.338303013e+01 6.480880611e+01 8.387410232e+01 1.40 3.953713573e+01 5.977618225e+01 7.766111627e+01 1.42 3.597539152e+01 5.508146267e+01 7.185189206e+01 1.44 3.267822321e+01 5.070330125e+01 6.642173501e+01 1.46 2.962735541e+01 4.662165650e+01 6.134740338e+01 1.48 2.680572719e+01 4.281771297e+01 5.660702548e+01 1.50 2.419741312e+01 3.927380733e+01 5.218002126e+01 1.52 2.178754949e+01 3.597335909e+01 4.804702839e+01 1.54 1.956226526e+01 3.290080546e+01 4.418983241e+01 1.56 1.750861742e+01 3.004154016e+01 4.059130075e+01 1.58 1.561453067e+01 2.738185593e+01 3.723532054e+01 1.60 1.386874078e+01 2.490889049e+01 3.410673979e+01 1.62 1.226074176e+01 2.261057570e+01 3.119131192e+01 1.64 1.078073631e+01 2.047558989e+01 2.847564345e+01 1.66 9.419589527e+00 1.849331284e+01 2.594714457e+01 1.68 8.168785529e+00 1.665378360e+01 2.359398249e+01 1.70 7.020386896e+00 1.494766078e+01 2.140503747e+01 1.72 5.966996688e+00 1.336618513e+01 1.936986133e+01 1.74 5.001722926e+00 1.190114444e+01 1.747863824e+01 1.76 4.118145329e+00 1.054484047e+01 1.572214781e+01 1.78 3.310284213e+00 9.290057841e+00 1.409173025e+01 1.80 2.572571362e+00 8.130034782e+00 1.257925348e+01 1.82 1.899822802e+00 7.058435618e+00 1.117708216e+01 1.84 1.287213306e+00 6.069324872e+00 9.878048439e+00 1.86 7.302525555e-01 5.157142918e+00 8.675424420e+00 1.88 2.247628384e-01 4.316683071e+00 7.562896158e+00 1.90 -2.331418101e-01 3.543070043e+00 6.534539169e+00 1.92 -6.470751202e-01 2.831739672e+00 5.584795346e+00 1.94 -1.020396828e+00 2.178419867e+00 4.708451189e+00 1.96 -1.356229736e+00 1.579112681e+00 3.900617295e+00 1.98 -1.657475665e+00 1.030077454e+00 3.156709032e+00 2.00 -1.926830358e+00 5.278149624e-01 2.472428322e+00 2.02 -2.166797423e+00 6.905251705e-02 1.843746485e+00 2.04 -2.379701352e+00 -3.492700486e-01 1.266888071e+00 2.06 -2.567699694e+00 -7.300135488e-01 7.383156315e-01 2.08 -2.732794430e+00 -1.075851827e+00 2.547153815e-01 2.10 -2.876842590e+00 -1.389283392e+00 -1.870163119e-01 2.12 -3.001566183e+00 -1.672642352e+00 -5.897856465e-01 2.14 -3.108561460e+00 -1.928108694e+00 -9.563133620e-01 2.16 -3.199307569e+00 -2.157717935e+00 -1.289146015e+00 2.18 -3.275174636e+00 -2.363370193e+00 -1.590666591e+00 2.20 -3.337431305e+00 -2.546838711e+00 -1.863104496e+00 2.22 -3.387251783e+00 -2.709777856e+00 -2.108544961e+00 2.24 -3.425722405e+00 -2.853730636e+00 -2.328937882e+00 2.26 -3.453847765e+00 -2.980135758e+00 -2.526106152e+00 2.28 -3.472556438e+00 -3.090334253e+00 -2.701753491e+00 2.30 -3.482706311e+00 -3.185575698e+00 -2.857471809e+00 2.32 -3.485089561e+00 -3.267024056e+00 -2.994748141e+00 2.34 -3.480437291e+00 -3.335763152e+00 -3.114971162e+00 2.36 -3.469423859e+00 -3.392801823e+00 -3.219437313e+00 2.38 -3.452670908e+00 -3.439078737e+00 -3.309356564e+00 2.40 -3.430751125e+00 -3.475466926e+00 -3.385857829e+00 2.42 -3.404191742e+00 -3.502778032e+00 -3.449994059e+00 2.44 -3.373477801e+00 -3.521766290e+00 -3.502747025e+00 2.46 -3.339055194e+00 -3.533132268e+00 -3.545031814e+00 2.48 -3.301333496e+00 -3.537526370e+00 -3.577701056e+00 2.50 -3.260688602e+00 -3.535552124e+00 -3.601548887e+00 2.52 -3.217465186e+00 -3.527769261e+00 -3.617314683e+00 2.54 -3.171978990e+00 -3.514696612e+00 -3.625686557e+00 2.56 -3.124518954e+00 -3.496814810e+00 -3.627313556e+00 2.58 -3.075349207e+00 -3.474568838e+00 -3.623039184e+00 2.60 -3.024710909e+00 -3.448370410e+00 -3.614042288e+00 2.62 -2.972823978e+00 -3.418600202e+00 -3.599786135e+00 2.64 -2.919888699e+00 -3.385609957e+00 -3.579882189e+00 2.66 -2.866087213e+00 -3.349724442e+00 -3.555808874e+00 2.68 -2.811584919e+00 -3.311243302e+00 -3.527976904e+00 2.70 -2.756531772e+00 -3.270442790e+00 -3.496767037e+00 2.72 -2.701063502e+00 -3.227577392e+00 -3.462532051e+00 2.74 -2.645302745e+00 -3.182881363e+00 -3.425598594e+00 2.76 -2.589360112e+00 -3.136570159e+00 -3.386268920e+00 2.78 -2.533335177e+00 -3.088841796e+00 -3.344822517e+00 2.80 -2.477317417e+00 -3.039878125e+00 -3.301517631e+00 2.82 -2.421387085e+00 -2.989846033e+00 -3.256592692e+00 2.84 -2.365616042e+00 -2.938898584e+00 -3.210267658e+00 2.86 -2.310068532e+00 -2.887176089e+00 -3.162745265e+00 2.88 -2.254801925e+00 -2.834807130e+00 -3.114212198e+00 2.90 -2.199867420e+00 -2.781909519e+00 -3.064840196e+00 2.92 -2.145310714e+00 -2.728591219e+00 -3.014787079e+00 2.94 -2.091172642e+00 -2.674951215e+00 -2.964197706e+00 2.96 -2.035517895e+00 -2.621080343e+00 -2.913204883e+00 2.98 -1.954798006e+00 -2.567062079e+00 -2.861930200e+00 3.00 -1.792103651e+00 -2.512973296e+00 -2.810484823e+00 3.02 -1.590790192e+00 -2.458884976e+00 -2.758970227e+00 3.04 -1.544313158e+00 -2.404862890e+00 -2.707478889e+00 3.06 -1.499289039e+00 -2.350968246e+00 -2.656094928e+00 3.08 -1.454938940e+00 -2.297258297e+00 -2.604894710e+00 3.10 -1.411284419e+00 -2.243786910e+00 -2.553947407e+00 3.12 -1.368346903e+00 -2.190605030e+00 -2.503315523e+00 3.14 -1.326148116e+00 -2.137182617e+00 -2.453055384e+00 3.16 -1.284710478e+00 -2.078301200e+00 -2.403217596e+00 3.18 -1.244057471e+00 -2.001510700e+00 -2.353847467e+00 3.20 -1.204213965e+00 -1.905924993e+00 -2.304985412e+00 3.22 -1.165206494e+00 -1.858364120e+00 -2.256667319e+00 3.24 -1.125222582e+00 -1.815163632e+00 -2.208924898e+00 3.26 -1.061302224e+00 -1.772493630e+00 -2.161786000e+00 3.28 -9.117349113e-01 -1.730359245e+00 -2.115274920e+00 3.30 -6.504477682e-01 -1.688764157e+00 -2.069412679e+00 3.32 -5.591963808e-01 -1.647710798e+00 -2.024217277e+00 3.34 -5.442353817e-01 -1.607200567e+00 -1.979703944e+00 3.36 -5.296466359e-01 -1.567234027e+00 -1.935885359e+00 3.38 -5.154249934e-01 -1.527811102e+00 -1.892771865e+00 3.40 -5.015649130e-01 -1.488931270e+00 -1.850371659e+00 3.42 -4.880605191e-01 -1.450593748e+00 -1.808690976e+00 3.44 -4.749056524e-01 -1.412797678e+00 -1.767734258e+00 3.46 -4.620939176e-01 -1.375542304e+00 -1.727504308e+00 3.48 -4.496187264e-01 -1.338827145e+00 -1.688002436e+00 3.50 -4.374733362e-01 -1.302652167e+00 -1.649228596e+00 3.52 -4.256508860e-01 -1.267017943e+00 -1.611181503e+00 3.54 -4.141444287e-01 -1.231925805e+00 -1.573858759e+00 3.56 -4.029469595e-01 -1.197377996e+00 -1.537256953e+00 3.58 -3.920514425e-01 -1.163377802e+00 -1.501371760e+00 3.60 -3.814508338e-01 -1.129929678e+00 -1.466198037e+00 3.62 -3.702647029e-01 -1.095088211e+00 -1.430247128e+00 3.64 -3.475226623e-01 -1.034247048e+00 -1.374351542e+00 3.66 -2.854414271e-01 -8.795342840e-01 -1.232049541e+00 3.68 -1.516697498e-01 -5.139112232e-01 -8.053192412e-01 3.70 -9.364051905e-23 -2.993486663e-22 -3.174306194e-22 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 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