# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuPd3 # 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 2024-04-11 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.913748487e+02 nan nan 1.16 2.678730790e+02 nan nan 1.18 2.462599047e+02 nan nan 1.20 2.263695654e+02 nan nan 1.22 2.080549945e+02 nan nan 1.24 1.911841936e+02 nan nan 1.26 1.756358524e+02 nan nan 1.28 1.612972232e+02 2.522191096e+02 2.897185058e+02 1.30 1.480649256e+02 2.334143839e+02 2.687464570e+02 1.32 1.358458747e+02 2.159913449e+02 2.492916890e+02 1.34 1.245563831e+02 1.998438378e+02 2.312310682e+02 1.36 1.141203839e+02 1.848713172e+02 2.144546581e+02 1.38 1.044684004e+02 1.709791765e+02 1.988632571e+02 1.40 9.553723680e+01 1.580803646e+02 1.843660638e+02 1.42 8.726940105e+01 1.460961593e+02 1.708793847e+02 1.44 7.961208207e+01 1.349556720e+02 1.583262777e+02 1.46 7.251635066e+01 1.245949425e+02 1.466366003e+02 1.48 6.593693925e+01 1.149560662e+02 1.357467937e+02 1.50 5.983498346e+01 1.059861147e+02 1.255991287e+02 1.52 5.422081287e+01 9.763588661e+01 1.161405901e+02 1.54 4.907195591e+01 8.985902692e+01 1.073217538e+02 1.56 4.435026706e+01 8.261185629e+01 9.909606855e+01 1.58 4.002107974e+01 7.585370757e+01 9.141977216e+01 1.60 3.605257319e+01 6.954732673e+01 8.425222000e+01 1.62 3.241552732e+01 6.365901940e+01 7.755616865e+01 1.64 2.908327865e+01 5.816609208e+01 7.129779018e+01 1.66 2.603158899e+01 5.308427493e+01 6.544648870e+01 1.68 2.323832602e+01 4.839089950e+01 5.997539451e+01 1.70 2.068305840e+01 4.405789638e+01 5.489502061e+01 1.72 1.834671099e+01 4.005950019e+01 5.019637864e+01 1.74 1.621135132e+01 3.637162196e+01 4.585131097e+01 1.76 1.426010885e+01 3.297147392e+01 4.183340671e+01 1.78 1.247721546e+01 2.983747363e+01 3.811800517e+01 1.80 1.084814447e+01 2.694930782e+01 3.468224766e+01 1.82 9.359769046e+00 2.428801701e+01 3.150503121e+01 1.84 8.000422737e+00 2.183602502e+01 2.856691089e+01 1.86 6.759799563e+00 1.957709819e+01 2.585003189e+01 1.88 5.628733938e+00 1.749625913e+01 2.333809300e+01 1.90 4.598950747e+00 1.557969814e+01 2.101627603e+01 1.92 3.662854886e+00 1.381471436e+01 1.887109497e+01 1.94 2.813386912e+00 1.218968735e+01 1.689018277e+01 1.96 2.043942628e+00 1.069405000e+01 1.506207091e+01 1.98 1.348338525e+00 9.318226445e+00 1.337601403e+01 2.00 7.207947296e-01 8.053518629e+00 1.182188556e+01 2.02 1.559083934e-01 6.891958465e+00 1.039014257e+01 2.04 -3.513913871e-01 5.826161862e+00 9.071835276e+00 2.06 -8.058923280e-01 4.849216507e+00 7.858626289e+00 2.08 -1.212127419e+00 3.954617092e+00 6.742789517e+00 2.10 -1.574370937e+00 3.136243705e+00 5.717176514e+00 2.12 -1.896610235e+00 2.388367968e+00 4.775159725e+00 2.14 -2.182513271e+00 1.705667917e+00 3.910575181e+00 2.16 -2.435408839e+00 1.083235847e+00 3.117684527e+00 2.18 -2.658285686e+00 5.165711649e-01 2.391160260e+00 2.20 -2.853808072e+00 1.558467369e-03 1.726081473e+00 2.22 -3.024342182e+00 -4.655642372e-01 1.117923710e+00 2.24 -3.171987788e+00 -8.882419830e-01 5.625361795e-01 2.26 -3.298611054e+00 -1.269641217e+00 5.611013831e-02 2.28 -3.405876895e+00 -1.612689610e+00 -4.048556791e-01 2.30 -3.495281396e+00 -1.920116639e+00 -8.235906895e-01 2.32 -3.568184748e+00 -2.194491785e+00 -1.203089810e+00 2.34 -3.625843425e+00 -2.438255094e+00 -1.546151486e+00 2.36 -3.670041403e+00 -2.653736272e+00 -1.855411823e+00 2.38 -3.702638786e+00 -2.843163010e+00 -2.133368300e+00 2.40 -3.724145768e+00 -3.008663756e+00 -2.382388062e+00 2.42 -3.735113112e+00 -3.152271266e+00 -2.604700940e+00 2.44 -3.735813751e+00 -3.275930361e+00 -2.802383898e+00 2.46 -3.726646123e+00 -3.381507749e+00 -2.977347599e+00 2.48 -3.708131043e+00 -3.470796255e+00 -3.131334326e+00 2.50 -3.680935123e+00 -3.545504527e+00 -3.265930292e+00 2.52 -3.646005605e+00 -3.607228756e+00 -3.382588345e+00 2.54 -3.604409821e+00 -3.657413378e+00 -3.482652941e+00 2.56 -3.557253458e+00 -3.697723449e+00 -3.567379373e+00 2.58 -3.505635563e+00 -3.729850752e+00 -3.637943055e+00 2.60 -3.450574178e+00 -3.754346718e+00 -3.695440167e+00 2.62 -3.392960392e+00 -3.771627686e+00 -3.740885819e+00 2.64 -3.333530003e+00 -3.781704166e+00 -3.775697728e+00 2.66 -3.272857805e+00 -3.784590194e+00 -3.801417498e+00 2.68 -3.211371601e+00 -3.780378380e+00 -3.818374419e+00 2.70 -3.149377738e+00 -3.769233463e+00 -3.827144567e+00 2.72 -3.087089844e+00 -3.751401459e+00 -3.828039728e+00 2.74 -3.024655322e+00 -3.727263838e+00 -3.821432905e+00 2.76 -2.962177189e+00 -3.697269709e+00 -3.807832261e+00 2.78 -2.899730671e+00 -3.661885315e+00 -3.787841877e+00 2.80 -2.837374839e+00 -3.621570223e+00 -3.762140481e+00 2.82 -2.775159957e+00 -3.576768719e+00 -3.731507046e+00 2.84 -2.713131452e+00 -3.527920084e+00 -3.696660230e+00 2.86 -2.651331588e+00 -3.475471485e+00 -3.658217430e+00 2.88 -2.589799869e+00 -3.419889039e+00 -3.616683551e+00 2.90 -2.528573029e+00 -3.361662499e+00 -3.572450896e+00 2.92 -2.467685182e+00 -3.301300376e+00 -3.525823671e+00 2.94 -2.407168404e+00 -3.239314950e+00 -3.477043825e+00 2.96 -2.347053738e+00 -3.176199942e+00 -3.426313213e+00 2.98 -2.287372448e+00 -3.112406213e+00 -3.373810223e+00 3.00 -2.228157276e+00 -3.048321571e+00 -3.319700893e+00 3.02 -2.169443472e+00 -2.984259199e+00 -3.264145597e+00 3.04 -2.111269449e+00 -2.920456209e+00 -3.207302561e+00 3.06 -2.053677043e+00 -2.857080797e+00 -3.149329302e+00 3.08 -1.996711409e+00 -2.794244652e+00 -3.090382700e+00 3.10 -1.940420632e+00 -2.732017025e+00 -3.030618074e+00 3.12 -1.884855110e+00 -2.670437684e+00 -2.970187407e+00 3.14 -1.830066733e+00 -2.609527288e+00 -2.909236888e+00 3.16 -1.776107859e+00 -2.549294822e+00 -2.847904061e+00 3.18 -1.723030092e+00 -2.489742488e+00 -2.786315175e+00 3.20 -1.670882905e+00 -2.430868741e+00 -2.724583462e+00 3.22 -1.619712196e+00 -2.372670199e+00 -2.662809072e+00 3.24 -1.569558893e+00 -2.315143014e+00 -2.601081055e+00 3.26 -1.520457745e+00 -2.258284070e+00 -2.539481347e+00 3.28 -1.472436402e+00 -2.202092180e+00 -2.478090114e+00 3.30 -1.425514865e+00 -2.146569263e+00 -2.416991431e+00 3.32 -1.379705315e+00 -2.091721402e+00 -2.356278039e+00 3.34 -1.335012306e+00 -2.037559601e+00 -2.296054032e+00 3.36 -1.291433238e+00 -1.984100110e+00 -2.236434658e+00 3.38 -1.248959042e+00 -1.931364214e+00 -2.177543050e+00 3.40 -1.207574950e+00 -1.879377493e+00 -2.119504391e+00 3.42 -1.167261273e+00 -1.828168631e+00 -2.062438631e+00 3.44 -1.127994096e+00 -1.777767903e+00 -2.006453224e+00 3.46 -1.089745813e+00 -1.728205513e+00 -1.951637249e+00 3.48 -1.052485510e+00 -1.679509946e+00 -1.898057841e+00 3.50 -1.016179161e+00 -1.631706471e+00 -1.845759225e+00 3.52 -9.807896879e-01 -1.584815887e+00 -1.794764021e+00 3.54 -9.462769384e-01 -1.538853579e+00 -1.745076113e+00 3.56 -9.125976390e-01 -1.493828891e+00 -1.696684287e+00 3.58 -8.797054118e-01 -1.449744833e+00 -1.649565917e+00 3.60 -8.475509279e-01 -1.406598087e+00 -1.603690225e+00 3.62 -8.160822785e-01 -1.364379316e+00 -1.559020918e+00 3.64 -7.852456390e-01 -1.323073741e+00 -1.515518148e+00 3.66 -7.549862972e-01 -1.282661976e+00 -1.473139917e+00 3.68 -7.252501031e-01 -1.243121091e+00 -1.431843069e+00 3.70 -6.959853791e-01 -1.204425859e+00 -1.391584043e+00 3.72 -6.671452902e-01 -1.166550126e+00 -1.352319513e+00 3.74 -6.386906204e-01 -1.129468201e+00 -1.314007005e+00 3.76 -6.105928235e-01 -1.093156142e+00 -1.276605525e+00 3.78 -5.828371200e-01 -1.057592794e+00 -1.240076208e+00 3.80 -5.554253166e-01 -1.022760426e+00 -1.204382930e+00 3.82 -5.283779385e-01 -9.886448901e-01 -1.169492841e+00 3.84 -5.017352308e-01 -9.552352522e-01 -1.135376745e+00 3.86 -4.755566274e-01 -9.225229923e-01 -1.102009277e+00 3.88 -4.499184216e-01 -8.905009381e-01 -1.069368852e+00 3.90 -4.249096025e-01 -8.591621866e-01 -1.037437372e+00 3.92 -4.006261127e-01 -8.284992823e-01 -1.006199738e+00 3.94 -3.771640639e-01 -7.985038729e-01 -9.756431850e-01 3.96 -3.546126589e-01 -7.691669607e-01 -9.457565363e-01 3.98 -3.330476551e-01 -7.404797416e-01 -9.165294187e-01 4.00 -3.125261270e-01 -7.124348853e-01 -8.879515125e-01 4.02 -2.930830905e-01 -6.850280116e-01 -8.600118808e-01 4.04 -2.747302639e-01 -6.582590595e-01 -8.326984145e-01 4.06 -2.574569423e-01 -6.321332432e-01 -8.059974127e-01 4.08 -2.412326953e-01 -6.066613363e-01 -7.798933088e-01 4.10 -2.260114121e-01 -5.818591220e-01 -7.543685398e-01 4.12 -2.117361203e-01 -5.577459885e-01 -7.294035556e-01 4.14 -1.983439987e-01 -5.343427780e-01 -7.049769610e-01 4.16 -1.857710668e-01 -5.116691733e-01 -6.810657822e-01 4.18 -1.739561422e-01 -4.897409729e-01 -6.576458518e-01 4.20 -1.628437888e-01 -4.685676588e-01 -6.346923047e-01 4.22 -1.523861174e-01 -4.481506106e-01 -6.121801739e-01 4.24 -1.425434226e-01 -4.284822057e-01 -5.900850722e-01 4.26 -1.332837735e-01 -4.095458877e-01 -5.683839331e-01 4.28 -1.245817584e-01 -3.913171287e-01 -5.470557730e-01 4.30 -1.164166646e-01 -3.737650780e-01 -5.260824233e-01 4.32 -1.087704077e-01 -3.568546128e-01 -5.054491635e-01 4.34 -1.016255171e-01 -3.405484863e-01 -4.851451783e-01 4.36 -9.496343547e-02 -3.248092991e-01 -4.651637606e-01 4.38 -8.876330820e-02 -3.096010819e-01 -4.455021952e-01 4.40 -8.300133922e-02 -2.948903676e-01 -4.261612873e-01 4.42 -7.765070024e-02 -2.806467159e-01 -4.071445481e-01 4.44 -7.268190323e-02 -2.668427411e-01 -3.884571068e-01 4.46 -6.806350676e-02 -2.534537621e-01 -3.701044757e-01 4.48 -6.376301506e-02 -2.404572394e-01 -3.520913447e-01 4.50 -5.974784087e-02 -2.278321837e-01 -3.344205988e-01 4.52 -5.598623135e-02 -2.155587076e-01 -3.170927404e-01 4.54 -5.244809685e-02 -2.036178536e-01 -3.001058578e-01 4.56 -4.910555522e-02 -1.919917728e-01 -2.834561837e-01 4.58 -4.593373687e-02 -1.806642601e-01 -2.671392357e-01 4.60 -4.291126119e-02 -1.696215870e-01 -2.511514078e-01 4.62 -4.002018843e-02 -1.588535162e-01 -2.354918296e-01 4.64 -3.724618829e-02 -1.483543501e-01 -2.201642579e-01 4.66 -3.457856786e-02 -1.381238453e-01 -2.051787466e-01 4.68 -3.201016328e-02 -1.281678366e-01 -1.905528538e-01 4.70 -2.953709531e-02 -1.184984352e-01 -1.763121855e-01 4.72 -2.715840395e-02 -1.091337138e-01 -1.624901418e-01 4.74 -2.487556879e-02 -1.000968455e-01 -1.491268194e-01 4.76 -2.269193418e-02 -9.141473640e-02 -1.362671221e-01 4.78 -2.061206830e-02 -8.311623841e-02 -1.239582320e-01 4.80 -1.864109282e-02 -7.523012028e-02 -1.122466790e-01 4.82 -1.678387067e-02 -6.778298572e-02 -1.011753025e-01 4.84 -1.504474557e-02 -6.079733026e-02 -9.078041464e-02 4.86 -1.342702406e-02 -5.428994794e-02 -8.108944583e-02 4.88 -1.193249395e-02 -4.827078681e-02 -7.211928790e-02 4.90 -1.056123611e-02 -4.274234979e-02 -6.387542517e-02 4.92 -9.311585021e-03 -3.769966127e-02 -5.635190481e-02 4.94 -8.180220048e-03 -3.313069634e-02 -4.953204391e-02 4.96 -7.162359260e-03 -2.901709373e-02 -4.338972475e-02 4.98 -6.252022031e-03 -2.533570478e-02 -3.789106691e-02 5.00 -5.442326740e-03 -2.205955394e-02 -3.299628114e-02 5.02 -4.725793698e-03 -1.915903310e-02 -2.866157063e-02 5.04 -4.094629898e-03 -1.660291547e-02 -2.484079452e-02 5.06 -3.540979519e-03 -1.435969754e-02 -2.148705268e-02 5.08 -3.057131264e-03 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-1.991378698e-04 -8.079883640e-04 -1.209426112e-03 5.46 -1.713509632e-04 -6.952622345e-04 -1.040687369e-03 5.48 -1.475114506e-04 -5.985481662e-04 -8.959177576e-04 5.50 -1.270513464e-04 -5.155423551e-04 -7.716685266e-04 5.52 -1.094847695e-04 -4.442740137e-04 -6.649894480e-04 5.54 -9.439618361e-05 -3.830576725e-04 -5.733571828e-04 5.56 -8.143026383e-05 -3.304520789e-04 -4.946147112e-04 5.58 -7.028318502e-05 -2.852248620e-04 -4.269169503e-04 5.60 -6.069514568e-05 -2.463222096e-04 -3.686863884e-04 5.62 -5.244396194e-05 -2.128428856e-04 -3.185739213e-04 5.64 -4.533958517e-05 -1.840159939e-04 -2.754255633e-04 5.66 -3.921941433e-05 -1.591819662e-04 -2.382539856e-04 5.68 -3.394429112e-05 -1.377763182e-04 -2.062141988e-04 5.70 -2.939508010e-05 -1.193157795e-04 -1.785827891e-04 5.72 -2.546974981e-05 -1.033864552e-04 -1.547401954e-04 5.74 -2.208088199e-05 -8.963372295e-05 -1.341555857e-04 5.76 -1.915354643e-05 -7.775361439e-05 -1.163739541e-04 5.78 -1.662348799e-05 -6.748546156e-05 -1.010051133e-04 5.80 -1.443557982e-05 -5.860562326e-05 -8.771430232e-05 5.82 -1.254250351e-05 -5.092213200e-05 -7.621417352e-05 5.84 -1.090362275e-05 -4.427012552e-05 -6.625795327e-05 5.86 -9.484021851e-06 -3.850794704e-05 -5.763360446e-05 5.88 -8.253684826e-06 -3.351381555e-05 -5.015884180e-05 5.90 -7.186794169e-06 -2.918298164e-05 -4.367687443e-05 5.92 -6.261131762e-06 -2.542529746e-05 -3.805276816e-05 5.94 -5.457566764e-06 -2.216313950e-05 -3.317033608e-05 5.96 -4.759617703e-06 -1.932963233e-05 -2.892947960e-05 5.98 -4.153077862e-06 -1.686712903e-05 -2.524391381e-05 6.00 -3.625694639e-06 -1.472591059e-05 -2.203922054e-05