# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni3Pd # 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 2026-08-31 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 4.534986011e+06 nan nan 0.80 4.088004650e+06 nan nan 0.82 3.684366418e+06 nan nan 0.84 3.319021244e+06 nan nan 0.86 2.987613761e+06 4.345102653e+06 nan 0.88 2.686353629e+06 3.950599230e+06 4.440616264e+06 0.90 2.411948044e+06 3.591057765e+06 4.048268576e+06 0.92 2.161531188e+06 3.262764016e+06 3.689960272e+06 0.94 1.932598822e+06 2.962444328e+06 3.362150360e+06 0.96 1.722957516e+06 2.687198493e+06 3.061667511e+06 0.98 1.530686037e+06 2.434548258e+06 2.785769008e+06 1.00 1.354072918e+06 2.202258124e+06 2.532014950e+06 1.02 1.191579935e+06 1.988374826e+06 2.298308529e+06 1.04 1.041874314e+06 1.791134535e+06 2.082764718e+06 1.06 9.037728899e+05 1.608983139e+06 1.883682757e+06 1.08 7.761899294e+05 1.440573991e+06 1.699564190e+06 1.10 6.581627219e+05 1.284679330e+06 1.529054579e+06 1.12 5.488414605e+05 1.140180565e+06 1.370963616e+06 1.14 4.474760256e+05 1.006081476e+06 1.224195039e+06 1.16 3.534921042e+05 8.814721903e+05 1.087785425e+06 1.18 2.717208296e+05 7.655730957e+05 9.608713373e+05 1.20 2.090264331e+05 6.576545507e+05 8.426578967e+05 1.22 1.610716162e+05 5.570725364e+05 7.324469595e+05 1.24 1.243124105e+05 4.632328316e+05 6.296061317e+05 1.26 9.607123636e+04 3.756298901e+05 5.335484126e+05 1.28 7.433740302e+04 2.960383871e+05 4.437386349e+05 1.30 5.758582335e+04 2.325702976e+05 3.597601412e+05 1.32 4.465358691e+04 1.829701911e+05 2.846721100e+05 1.34 3.465458538e+04 1.441379355e+05 2.251791815e+05 1.36 2.691269267e+04 1.136832228e+05 1.783650468e+05 1.38 2.091195474e+04 8.976401096e+04 1.414562086e+05 1.40 1.625596848e+04 7.095239692e+04 1.123125265e+05 1.42 1.264033500e+04 5.613591623e+04 8.926296194e+04 1.44 9.830584379e+03 4.444678316e+04 7.100830805e+04 1.46 7.645532513e+03 3.521338493e+04 5.653467232e+04 1.48 5.945539028e+03 2.791339197e+04 4.504567750e+04 1.50 4.622314858e+03 2.213696148e+04 3.591487762e+04 1.52 3.592180567e+03 1.756227393e+04 2.864977364e+04 1.54 2.790212500e+03 1.393700637e+04 2.286450113e+04 1.56 2.165930134e+03 1.106239203e+04 1.825333997e+04 1.58 1.680042876e+03 8.781464988e+03 1.457552367e+04 1.60 1.301843923e+03 6.970463246e+03 1.164066109e+04 1.62 1.007514118e+03 5.532147773e+03 9.297627229e+03 1.64 7.785409158e+02 4.389347235e+03 7.425722021e+03 1.66 6.005516138e+02 3.481177509e+03 5.929583050e+03 1.68 4.623348803e+02 2.759505761e+03 4.733630466e+03 1.70 3.551262119e+02 2.186114418e+03 3.777581551e+03 1.72 2.720741694e+02 1.730629768e+03 3.013310129e+03 1.74 2.078121390e+02 1.368798151e+03 2.402353892e+03 1.76 1.581641843e+02 1.081457962e+03 1.914031850e+03 1.78 1.198704790e+02 8.534045863e+02 1.523830794e+03 1.80 9.037871692e+01 6.725136817e+02 1.212119461e+03 1.82 6.771362470e+01 5.291108936e+02 9.631614212e+02 1.84 5.033588891e+01 4.155293013e+02 7.644220515e+02 1.86 3.704552624e+01 3.256592568e+02 6.057925256e+02 1.88 2.690802753e+01 2.546304553e+02 4.792659770e+02 1.90 1.919678062e+01 1.985481110e+02 3.784443372e+02 1.92 1.334781392e+01 1.543200531e+02 2.981916210e+02 1.94 8.924330638e+00 1.194915084e+02 2.343866132e+02 1.96 5.588752423e+00 9.210271041e+01 1.837232851e+02 1.98 3.080819011e+00 7.060462986e+01 1.435505274e+02 2.00 1.200355000e+00 5.376443321e+01 1.117402737e+02 2.02 -2.062862317e-01 4.060118350e+01 8.658992465e+01 2.04 -1.255822008e+00 3.033528135e+01 6.673724767e+01 2.06 -2.037116862e+00 2.234794880e+01 5.108996109e+01 2.08 -2.617635152e+00 1.614873454e+01 3.878286926e+01 2.10 -3.048317042e+00 1.134879429e+01 2.912444866e+01 2.12 -3.367396947e+00 7.641669015e+00 2.156231875e+01 2.14 -3.603437210e+00 4.786230900e+00 1.565587211e+01 2.16 -3.777676767e+00 2.592675976e+00 1.105421066e+01 2.18 -3.905799610e+00 9.125450117e-01 7.478129275e+00 2.20 -3.999243534e+00 -3.705176863e-01 4.705594774e+00 2.22 -4.066358741e+00 -1.347511775e+00 2.562081090e+00 2.24 -4.113179993e+00 -2.089367398e+00 9.096642344e-01 2.26 -4.144029088e+00 -2.651167478e+00 -3.605050466e-01 2.28 -4.161978262e+00 -3.075515080e+00 -1.334082168e+00 2.30 -4.169200086e+00 -3.395214546e+00 -2.078257232e+00 2.32 -4.167229633e+00 -3.635402293e+00 -2.645552685e+00 2.34 -4.157159039e+00 -3.815228934e+00 -3.076869148e+00 2.36 -4.139723551e+00 -3.949201881e+00 -3.403924501e+00 2.38 -4.115472687e+00 -4.048251917e+00 -3.651203708e+00 2.40 -4.084882211e+00 -4.120554524e+00 -3.837513832e+00 2.42 -4.048353566e+00 -4.172180892e+00 -3.977178135e+00 2.44 -4.006231061e+00 -4.207586885e+00 -4.081041727e+00 2.46 -3.958816862e+00 -4.230000096e+00 -4.157263916e+00 2.48 -3.906451136e+00 -4.241801604e+00 -4.212018551e+00 2.50 -3.849480195e+00 -4.244717434e+00 -4.249919694e+00 2.52 -3.788258217e+00 -4.239995379e+00 -4.274388681e+00 2.54 -3.723147951e+00 -4.228527206e+00 -4.287944132e+00 2.56 -3.654519463e+00 -4.210823523e+00 -4.292428251e+00 2.58 -3.582747679e+00 -4.187345983e+00 -4.289182413e+00 2.60 -3.508195156e+00 -4.158490388e+00 -4.279182457e+00 2.62 -3.431089031e+00 -4.124582382e+00 -4.263142131e+00 2.64 -3.351753299e+00 -4.085906239e+00 -4.241591426e+00 2.66 -3.270541597e+00 -4.042724843e+00 -4.214935231e+00 2.68 -3.187797168e+00 -3.995293038e+00 -4.183496640e+00 2.70 -3.103826402e+00 -3.943849892e+00 -4.147525085e+00 2.72 -3.018886896e+00 -3.888638904e+00 -4.107241014e+00 2.74 -2.933273809e+00 -3.829926310e+00 -4.062875031e+00 2.76 -2.847273267e+00 -3.767985616e+00 -4.014655137e+00 2.78 -2.761154094e+00 -3.703096783e+00 -3.962812840e+00 2.80 -2.675167256e+00 -3.635544546e+00 -3.907586404e+00 2.82 -2.589545571e+00 -3.565561153e+00 -3.849112039e+00 2.84 -2.504503644e+00 -3.493384844e+00 -3.787526943e+00 2.86 -2.420238011e+00 -3.419297741e+00 -3.723085748e+00 2.88 -2.336927441e+00 -3.343577869e+00 -3.656047339e+00 2.90 -2.254733394e+00 -3.266497298e+00 -3.586673142e+00 2.92 -2.173800582e+00 -3.188320467e+00 -3.515225239e+00 2.94 -2.094257631e+00 -3.109302711e+00 -3.441964429e+00 2.96 -2.016217813e+00 -3.029689019e+00 -3.367148361e+00 2.98 -1.939774682e+00 -2.949694589e+00 -3.291029786e+00 3.00 -1.864948949e+00 -2.869428625e+00 -3.213854969e+00 3.02 -1.791793712e+00 -2.789077705e+00 -3.135862303e+00 3.04 -1.720369663e+00 -2.708834175e+00 -3.057281127e+00 3.06 -1.650726582e+00 -2.628877675e+00 -2.978330737e+00 3.08 -1.582904135e+00 -2.549375091e+00 -2.899219612e+00 3.10 -1.516930953e+00 -2.470480630e+00 -2.820140302e+00 3.12 -1.452796926e+00 -2.392335983e+00 -2.741190861e+00 3.14 -1.390505383e+00 -2.315070592e+00 -2.662508883e+00 3.16 -1.330065022e+00 -2.238801972e+00 -2.584253005e+00 3.18 -1.271478008e+00 -2.163636109e+00 -2.506570226e+00 3.20 -1.214740602e+00 -2.089667892e+00 -2.429596039e+00 3.22 -1.159843747e+00 -2.016981595e+00 -2.353454628e+00 3.24 -1.106773628e+00 -1.945651379e+00 -2.278259147e+00 3.26 -1.055512189e+00 -1.875741809e+00 -2.204112046e+00 3.28 -1.006037622e+00 -1.807308397e+00 -2.131105455e+00 3.30 -9.583248213e-01 -1.740374796e+00 -2.059321594e+00 3.32 -9.123458063e-01 -1.674945372e+00 -1.988833216e+00 3.34 -8.680701086e-01 -1.611053508e+00 -1.919704076e+00 3.36 -8.254651335e-01 -1.548726059e+00 -1.851989397e+00 3.38 -7.844964909e-01 -1.487983449e+00 -1.785736361e+00 3.40 -7.451282987e-01 -1.428840155e+00 -1.720984588e+00 3.42 -7.073234598e-01 -1.371305178e+00 -1.657766621e+00 3.44 -6.710439154e-01 -1.315382496e+00 -1.596096485e+00 3.46 -6.362508744e-01 -1.261071494e+00 -1.535930056e+00 3.48 -6.029050210e-01 -1.208367379e+00 -1.477273074e+00 3.50 -5.709667029e-01 -1.157261567e+00 -1.420135899e+00 3.52 -5.403960991e-01 -1.107742062e+00 -1.364524239e+00 3.54 -5.111533718e-01 -1.059793794e+00 -1.310439534e+00 3.56 -4.831988001e-01 -1.013398960e+00 -1.257879321e+00 3.58 -4.564929005e-01 -9.685373188e-01 -1.206837580e+00 3.60 -4.309965319e-01 -9.251864901e-01 -1.157305068e+00 3.62 -4.066709883e-01 -8.833222155e-01 -1.109269630e+00 3.64 -3.834780802e-01 -8.429186103e-01 -1.062716490e+00 3.66 -3.613802045e-01 -8.039483936e-01 -1.017628534e+00 3.68 -3.403404046e-01 -7.663831024e-01 -9.739865649e-01 3.70 -3.203224221e-01 -7.301932874e-01 -9.317695485e-01 3.72 -3.012907394e-01 -6.953486948e-01 -8.909548383e-01 3.74 -2.832106156e-01 -6.618184314e-01 -8.515183874e-01 3.76 -2.660481151e-01 -6.295711166e-01 -8.134349445e-01 3.78 -2.497701307e-01 -5.985750206e-01 -7.766782346e-01 3.80 -2.343444007e-01 -5.687981897e-01 -7.412180691e-01 3.82 -2.197395210e-01 -5.402085607e-01 -7.070083287e-01 3.84 -2.059249537e-01 -5.127740629e-01 -6.740184679e-01 3.86 -1.928710305e-01 -4.864627113e-01 -6.422206982e-01 3.88 -1.805489534e-01 -4.612426889e-01 -6.115868876e-01 3.90 -1.689307924e-01 -4.370824212e-01 -5.820886684e-01 3.92 -1.579894797e-01 -4.139506412e-01 -5.536975362e-01 3.94 -1.476988026e-01 -3.918164480e-01 -5.263849395e-01 3.96 -1.380333942e-01 -3.706493574e-01 -5.001223602e-01 3.98 -1.289103064e-01 -3.504193467e-01 -4.748813869e-01 4.00 -1.202509192e-01 -3.310968926e-01 -4.506337803e-01 4.02 -1.120375702e-01 -3.126530046e-01 -4.273515321e-01 4.04 -1.042531575e-01 -2.950592529e-01 -4.050069166e-01 4.06 -9.688105251e-02 -2.782877914e-01 -3.835725374e-01 4.08 -8.990542279e-02 -2.623113769e-01 -3.630213677e-01 4.10 -8.331097633e-02 -2.471033846e-01 -3.433267864e-01 4.12 -7.708291800e-02 -2.326378198e-01 -3.244626082e-01 4.14 -7.120694782e-02 -2.188893264e-01 -3.064031107e-01 4.16 -6.566925654e-02 -2.058331930e-01 -2.891230570e-01 4.18 -6.045651888e-02 -1.934453560e-01 -2.725977143e-01 4.20 -5.555588498e-02 -1.817024011e-01 -2.568028694e-01 4.22 -5.095497047e-02 -1.705484641e-01 -2.417148418e-01 4.24 -4.664184542e-02 -1.599287371e-01 -2.273104930e-01 4.26 -4.260502443e-02 -1.498245516e-01 -2.135672337e-01 4.28 -3.883345030e-02 -1.402177815e-01 -2.004630290e-01 4.30 -3.531648149e-02 -1.310908325e-01 -1.879764015e-01 4.32 -3.204388152e-02 -1.224266349e-01 -1.760864317e-01 4.34 -2.900564435e-02 -1.142086366e-01 -1.647727578e-01 4.36 -2.617404351e-02 -1.064207944e-01 -1.540155738e-01 4.38 -2.352854796e-02 -9.904756646e-02 -1.437956252e-01 4.40 -2.106134576e-02 -9.207390050e-02 -1.340942054e-01 4.42 -1.876503616e-02 -8.548522498e-02 -1.248931494e-01 4.44 -1.663323039e-02 -7.926744009e-02 -1.161748266e-01 4.46 -1.465966465e-02 -7.340683444e-02 -1.079221343e-01 4.48 -1.283821582e-02 -6.789010067e-02 -1.001184892e-01 4.50 -1.116291841e-02 -6.270425155e-02 -9.274781859e-02 4.52 -9.627977108e-03 -5.783725544e-02 -8.579450234e-02 4.54 -8.227775539e-03 -5.327743094e-02 -7.924337430e-02 4.56 -6.956882018e-03 -4.901339969e-02 -7.307992285e-02 4.58 -5.810052688e-03 -4.503410614e-02 -6.729008426e-02 4.60 -4.782232593e-03 -4.132883073e-02 -6.186022894e-02 4.62 -3.868555033e-03 -3.788719765e-02 -5.677715778e-02 4.64 -3.064339545e-03 -3.469917813e-02 -5.202809695e-02 4.66 -2.365088792e-03 -3.174363281e-02 -4.760069142e-02 4.68 -1.766484584e-03 -2.899556075e-02 -4.348299918e-02 4.70 -1.264383256e-03 -2.644698831e-02 -3.966347929e-02 4.72 -8.548105326e-04 -2.409035023e-02 -3.613098288e-02 4.74 -5.339560591e-04 -2.191835466e-02 -3.287474620e-02 4.76 -2.981676824e-04 -1.992397541e-02 -2.988438057e-02 4.78 -1.439455973e-04 -1.810044386e-02 -2.714986216e-02 4.80 -6.565886727e-05 -1.644124095e-02 -2.466152164e-02 4.82 -2.330036612e-05 -1.494003292e-02 -2.240995755e-02 4.84 -2.552297783e-06 -1.359045569e-02 -2.038567705e-02 4.86 0.000000000e+00 -1.237802523e-02 -1.856703785e-02 4.88 0.000000000e+00 -1.124564828e-02 -1.686847242e-02 4.90 0.000000000e+00 -1.018197735e-02 -1.527296603e-02 4.92 0.000000000e+00 -9.184633915e-03 -1.377695087e-02 4.94 0.000000000e+00 -8.251298845e-03 -1.237694827e-02 4.96 0.000000000e+00 -7.379714875e-03 -1.106957231e-02 4.98 0.000000000e+00 -6.567688304e-03 -9.851532456e-03 5.00 0.000000000e+00 -5.813090058e-03 -8.719635087e-03 5.02 0.000000000e+00 -5.113856209e-03 -7.670784313e-03 5.04 0.000000000e+00 -4.467988042e-03 -6.701982063e-03 5.06 0.000000000e+00 -3.873551739e-03 -5.810327609e-03 5.08 0.000000000e+00 -3.328677744e-03 -4.993016616e-03 5.10 0.000000000e+00 -2.831559871e-03 -4.247339807e-03 5.12 0.000000000e+00 -2.380454199e-03 -3.570681299e-03 5.14 0.000000000e+00 -1.973677797e-03 -2.960516695e-03 5.16 0.000000000e+00 -1.609607312e-03 -2.414410969e-03 5.18 0.000000000e+00 -1.286677462e-03 -1.930016193e-03 5.20 0.000000000e+00 -1.003379440e-03 -1.505069159e-03 5.22 0.000000000e+00 -7.582592757e-04 -1.137388914e-03 5.24 0.000000000e+00 -5.499161565e-04 -8.248742348e-04 5.26 0.000000000e+00 -3.770007280e-04 -5.655010920e-04 5.28 0.000000000e+00 -2.382133928e-04 -3.573200893e-04 5.30 0.000000000e+00 -1.323026138e-04 -1.984539207e-04 5.32 0.000000000e+00 -5.806323222e-05 -8.709484833e-05 5.34 0.000000000e+00 -1.433480991e-05 -2.150221486e-05 5.36 0.000000000e+00 1.764765434e-10 2.647148148e-10 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00