# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ti-Co # implementation = 2025--Sharifi-H--Cu-Ti-Co--LAMMPS--ipr1 # composition = Co3Cu # 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 2025-07-01 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 8.332497569e+02 nan nan 0.92 7.543054820e+02 nan nan 0.94 6.811893968e+02 nan nan 0.96 6.139397946e+02 nan nan 0.98 5.524349001e+02 8.226378629e+02 nan 1.00 4.964460981e+02 7.522307390e+02 nan 1.02 4.456768661e+02 6.873363579e+02 8.106409154e+02 1.04 3.997910651e+02 6.276525337e+02 7.476042419e+02 1.06 3.583379349e+02 5.726113507e+02 6.889133828e+02 1.08 3.205178306e+02 5.207240248e+02 6.324568403e+02 1.10 2.861228609e+02 4.720681524e+02 5.785063428e+02 1.12 2.549907244e+02 4.268170908e+02 5.274963410e+02 1.14 2.269249893e+02 3.850183040e+02 4.796808797e+02 1.16 2.017100102e+02 3.466278394e+02 4.351776614e+02 1.18 1.791219641e+02 3.115371962e+02 3.940029849e+02 1.20 1.589368574e+02 2.795940010e+02 3.560991415e+02 1.22 1.409361705e+02 2.506178085e+02 3.213558116e+02 1.24 1.249106868e+02 2.244120575e+02 2.896266697e+02 1.26 1.106630191e+02 2.007730227e+02 2.607422051e+02 1.28 9.800912681e+01 1.794964066e+02 2.345195277e+02 1.30 8.677906749e+01 1.603820705e+02 2.107697859e+02 1.32 7.681719423e+01 1.432373518e+02 1.893036988e+02 1.34 6.798193168e+01 1.278793235e+02 1.699356144e+02 1.36 6.014527519e+01 1.141362092e+02 1.524864020e+02 1.38 5.319210215e+01 1.018481557e+02 1.367854322e+02 1.40 4.701936437e+01 9.086752686e+01 1.226718486e+02 1.42 4.153521353e+01 8.105884683e+01 1.099953034e+02 1.44 3.665809987e+01 7.229848740e+01 9.861627873e+01 1.46 3.231587354e+01 6.447418061e+01 8.840609977e+01 1.48 2.844490869e+01 5.748441323e+01 7.924670933e+01 1.50 2.498926421e+01 5.123774875e+01 7.103025758e+01 1.52 2.189989072e+01 4.565211368e+01 6.365861308e+01 1.54 1.913390089e+01 4.065407078e+01 5.704282277e+01 1.56 1.665388927e+01 3.617809994e+01 5.110252772e+01 1.58 1.442730798e+01 3.216590243e+01 4.576535793e+01 1.60 1.242589780e+01 2.856574726e+01 4.096632084e+01 1.62 1.062517365e+01 2.533182651e+01 3.664720073e+01 1.64 9.003974826e+00 2.242358127e+01 3.275597694e+01 1.66 7.544072294e+00 1.980507499e+01 2.924626688e+01 1.68 6.229636345e+00 1.744451236e+01 2.607680056e+01 1.70 5.046577683e+00 1.531381029e+01 2.321092762e+01 1.72 3.982213365e+00 1.338820477e+01 2.061615830e+01 1.74 3.025121744e+00 1.164589274e+01 1.826374024e+01 1.76 2.165016627e+00 1.006770503e+01 1.612826841e+01 1.78 1.392633658e+00 8.636778692e+00 1.418732875e+01 1.80 6.996278734e-01 7.338234722e+00 1.242117373e+01 1.82 7.848138880e-02 6.158946388e+00 1.081242833e+01 1.84 -4.775795952e-01 5.087359249e+00 9.345841534e+00 1.86 -9.746595318e-01 4.113310051e+00 8.008039766e+00 1.88 -1.418260769e+00 3.227824709e+00 6.787250233e+00 1.90 -1.813343945e+00 2.422895760e+00 5.672985798e+00 1.92 -2.164382302e+00 1.691346749e+00 4.655858053e+00 1.94 -2.475410486e+00 1.026743682e+00 3.727459323e+00 1.96 -2.750068399e+00 4.233165368e-01 2.880258218e+00 1.98 -2.991640613e+00 -1.241110399e-01 2.107506107e+00 2.00 -3.203091824e+00 -6.201845563e-01 1.403153586e+00 2.02 -3.387098708e+00 -1.069065846e+00 7.617758638e-01 2.04 -3.546081217e+00 -1.474441474e+00 1.784954537e-01 2.06 -3.682244053e+00 -1.839661120e+00 -3.511438154e-01 2.08 -3.797599859e+00 -2.167825592e+00 -8.312606118e-01 2.10 -3.893905757e+00 -2.461807248e+00 -1.265664591e+00 2.12 -3.972709447e+00 -2.724266950e+00 -1.657880007e+00 2.14 -4.035451686e+00 -2.957669747e+00 -2.011167496e+00 2.16 -4.083476085e+00 -3.164299364e+00 -2.328544168e+00 2.18 -4.118035039e+00 -3.346271384e+00 -2.612802091e+00 2.20 -4.140295321e+00 -3.505544260e+00 -2.866525370e+00 2.22 -4.151343353e+00 -3.643931918e+00 -3.092105900e+00 2.24 -4.152190171e+00 -3.763115205e+00 -3.291757854e+00 2.26 -4.143776118e+00 -3.864651626e+00 -3.467531065e+00 2.28 -4.126975250e+00 -3.949984314e+00 -3.621323470e+00 2.30 -4.102599498e+00 -4.020450346e+00 -3.754892438e+00 2.32 -4.071402582e+00 -4.077287971e+00 -3.869864609e+00 2.34 -4.034083697e+00 -4.121613029e+00 -3.967699564e+00 2.36 -3.991290987e+00 -4.154414771e+00 -4.049682618e+00 2.38 -3.943624804e+00 -4.176615030e+00 -4.117012697e+00 2.40 -3.891640790e+00 -4.189076959e+00 -4.170814596e+00 2.42 -3.835852760e+00 -4.192608386e+00 -4.212143218e+00 2.44 -3.776735430e+00 -4.187965005e+00 -4.241987585e+00 2.46 -3.714727608e+00 -4.175853377e+00 -4.261274617e+00 2.48 -3.650278297e+00 -4.156933782e+00 -4.270872718e+00 2.50 -3.583806300e+00 -4.131822917e+00 -4.271595157e+00 2.52 -3.515415255e+00 -4.101096036e+00 -4.264202662e+00 2.54 -3.445565685e+00 -4.065288340e+00 -4.249404895e+00 2.56 -3.374545581e+00 -4.024898670e+00 -4.227865444e+00 2.58 -3.302618931e+00 -3.980402883e+00 -4.200205086e+00 2.60 -3.230027343e+00 -3.932324849e+00 -4.167004270e+00 2.62 -3.156991573e+00 -3.880922016e+00 -4.128805443e+00 2.64 -3.083712956e+00 -3.826537973e+00 -4.086115264e+00 2.66 -3.010374748e+00 -3.769597370e+00 -4.039406691e+00 2.68 -2.937143388e+00 -3.710423883e+00 -3.989120950e+00 2.70 -2.864169673e+00 -3.649317788e+00 -3.935669404e+00 2.72 -2.791589878e+00 -3.586557377e+00 -3.879435309e+00 2.74 -2.719671156e+00 -3.522400303e+00 -3.820775479e+00 2.76 -2.649660294e+00 -3.457084836e+00 -3.760021856e+00 2.78 -2.580140893e+00 -3.390831068e+00 -3.697482989e+00 2.80 -2.510143732e+00 -3.323842030e+00 -3.633445436e+00 2.82 -2.441041155e+00 -3.256304761e+00 -3.568175079e+00 2.84 -2.372915610e+00 -3.188391307e+00 -3.501922038e+00 2.86 -2.306594203e+00 -3.120259674e+00 -3.435118321e+00 2.88 -2.243890521e+00 -3.052054714e+00 -3.368444785e+00 2.90 -2.179561112e+00 -2.983908972e+00 -3.300684851e+00 2.92 -2.115648772e+00 -2.915943480e+00 -3.232553809e+00 2.94 -2.052932886e+00 -2.848268503e+00 -3.164417430e+00 2.96 -1.991440007e+00 -2.780984250e+00 -3.096427965e+00 2.98 -1.931191550e+00 -2.714181535e+00 -3.028725145e+00 3.00 -1.872204224e+00 -2.647942407e+00 -2.961436956e+00 3.02 -1.814490441e+00 -2.582442742e+00 -2.894680359e+00 3.04 -1.758058691e+00 -2.518988599e+00 -2.828561968e+00 3.06 -1.702913893e+00 -2.458015162e+00 -2.763178684e+00 3.08 -1.649057729e+00 -2.394607148e+00 -2.698618291e+00 3.10 -1.596488942e+00 -2.332001675e+00 -2.634960014e+00 3.12 -1.545203626e+00 -2.270303418e+00 -2.572275039e+00 3.14 -1.495195486e+00 -2.209547607e+00 -2.510627001e+00 3.16 -1.446456088e+00 -2.149764568e+00 -2.450072434e+00 3.18 -1.398975082e+00 -2.090980078e+00 -2.390661195e+00 3.20 -1.352740414e+00 -2.033215701e+00 -2.332436857e+00 3.22 -1.307738525e+00 -1.976489110e+00 -2.275437073e+00 3.24 -1.263954530e+00 -1.920814376e+00 -2.219693911e+00 3.26 -1.221372382e+00 -1.866202249e+00 -2.165234168e+00 3.28 -1.179975032e+00 -1.812660419e+00 -2.112079655e+00 3.30 -1.139744565e+00 -1.760193758e+00 -2.060247464e+00 3.32 -1.100662334e+00 -1.708804552e+00 -2.009750211e+00 3.34 -1.062709078e+00 -1.658492709e+00 -1.960596252e+00 3.36 -1.025865030e+00 -1.609255967e+00 -1.912789890e+00 3.38 -9.901100188e-01 -1.561090077e+00 -1.866331556e+00 3.40 -9.554235548e-01 -1.513988980e+00 -1.821217971e+00 3.42 -9.217849153e-01 -1.467944972e+00 -1.777442292e+00 3.44 -8.891732160e-01 -1.422948855e+00 -1.734994244e+00 3.46 -8.575674779e-01 -1.378990083e+00 -1.693860229e+00 3.48 -8.269466870e-01 -1.336056895e+00 -1.654062284e+00 3.50 -7.972898486e-01 -1.294136436e+00 -1.616442699e+00 3.52 -7.685760360e-01 -1.253214878e+00 -1.582298272e+00 3.54 -7.407844363e-01 -1.213277523e+00 -1.547674628e+00 3.56 -7.138943918e-01 -1.174308906e+00 -1.512070659e+00 3.58 -6.878854395e-01 -1.136292884e+00 -1.477656355e+00 3.60 -6.627373487e-01 -1.099212725e+00 -1.444400392e+00 3.62 -6.384301572e-01 -1.063051185e+00 -1.412268835e+00 3.64 -6.149442069e-01 -1.027790582e+00 -1.381225204e+00 3.66 -5.922601780e-01 -9.934128654e-01 -1.351230566e+00 3.68 -5.703591235e-01 -9.598996765e-01 -1.322243635e+00 3.70 -5.492225019e-01 -9.272324097e-01 -1.294220908e+00 3.72 -5.288322096e-01 -8.953922659e-01 -1.267116836e+00 3.74 -5.091706106e-01 -8.643603042e-01 -1.240884044e+00 3.76 -4.902205656e-01 -8.341174903e-01 -1.215473604e+00 3.78 -4.719654568e-01 -8.046447420e-01 -1.190835381e+00 3.80 -4.543892110e-01 -7.759229740e-01 -1.166918440e+00 3.82 -4.374763191e-01 -7.479331394e-01 -1.143671534e+00 3.84 -4.212118509e-01 -7.206562717e-01 -1.121043664e+00 3.86 -4.055814682e-01 -6.940735248e-01 -1.098984698e+00 3.88 -3.905714320e-01 -6.681662128e-01 -1.077446033e+00 3.90 -3.761686080e-01 -6.429158499e-01 -1.056381293e+00 3.92 -3.623604681e-01 -6.183041895e-01 -1.035747007e+00 3.94 -3.491350889e-01 -5.943132638e-01 -1.015503262e+00 3.96 -3.364811480e-01 -5.709254226e-01 -9.956142685e-01 3.98 -3.243879186e-01 -5.481233735e-01 -9.760488259e-01 4.00 -3.128452622e-01 -5.258902210e-01 -9.567806440e-01 4.02 -3.074584285e-01 -5.042095066e-01 -9.377885039e-01 4.04 -3.998638452e-01 -4.830652482e-01 -9.190562438e-01 4.06 -5.266576131e-01 -4.624419814e-01 -9.005725724e-01 4.08 -4.728055553e-01 -4.423247993e-01 -8.823307183e-01 4.10 -4.591615676e-01 -4.226993941e-01 -8.643279405e-01 4.12 -4.471540516e-01 -4.035520990e-01 -8.465649312e-01 4.14 -4.354616338e-01 -3.848699305e-01 -8.290451476e-01 4.16 -4.240769705e-01 -3.666406316e-01 -8.117741133e-01 4.18 -4.129928311e-01 -3.488527154e-01 -7.947587282e-01 4.20 -4.022021002e-01 -3.314955102e-01 -7.780066200e-01 4.22 -3.916977788e-01 -3.145592037e-01 -7.615255668e-01 4.24 -3.814729857e-01 -2.980348881e-01 -7.453230115e-01 4.26 -3.715209583e-01 -2.818791431e-01 -7.294056772e-01 4.28 -3.618350527e-01 -2.652140634e-01 -7.137792897e-01 4.30 -3.524087445e-01 -2.438828352e-01 -6.984484015e-01 4.32 -3.432356278e-01 -2.104990559e-01 -6.834163079e-01 4.34 -3.343094158e-01 -1.890515518e-01 -6.686850413e-01 4.36 -3.256239398e-01 -1.748881458e-01 -6.542554265e-01 4.38 -3.171731491e-01 -1.612671042e-01 -6.401271808e-01 4.40 -3.088302870e-01 -1.481967946e-01 -6.262990414e-01 4.42 -2.983713662e-01 -1.356849283e-01 -6.127689066e-01 4.44 -2.780386171e-01 -1.237382528e-01 -5.995339787e-01 4.46 -2.325742149e-01 -1.123622450e-01 -5.865908986e-01 4.48 -2.013314695e-01 -1.015608140e-01 -5.739358678e-01 4.50 -1.966439849e-01 -9.133602577e-02 -5.615647543e-01 4.52 -1.920717308e-01 -8.168785711e-02 -5.494731800e-01 4.54 -1.876121162e-01 -7.261399089e-02 -5.376565924e-01 4.56 -1.832625930e-01 -6.410966015e-02 -5.261103205e-01 4.58 -1.790206566e-01 -5.616754849e-02 -5.148296185e-01 4.60 -1.748838470e-01 -4.877775194e-02 -5.038096993e-01 4.62 -1.708497494e-01 -4.192780476e-02 -4.930457594e-01 4.64 -1.669159952e-01 -3.560276955e-02 -4.825329983e-01 4.66 -1.630802621e-01 -2.978538891e-02 -4.722666335e-01 4.68 -1.593402749e-01 -2.445629362e-02 -4.622419114e-01 4.70 -1.556938056e-01 -1.959425996e-02 -4.524541168e-01 4.72 -1.521386730e-01 -1.517650698e-02 -4.428985795e-01 4.74 -1.486727431e-01 -1.117902297e-02 -4.335706799e-01 4.76 -1.452939284e-01 -7.576910001e-03 -4.244658531e-01 4.78 -1.420001871e-01 -4.344734800e-03 -4.155795924e-01 4.80 -1.387895230e-01 -1.456874798e-03 -4.069074508e-01 4.82 -1.356599840e-01 1.112150855e-03 -3.984450429e-01 4.84 -1.326096616e-01 3.387374492e-03 -3.901880454e-01 4.86 -1.296366895e-01 5.393104699e-03 -3.821321972e-01 4.88 -1.267392428e-01 7.152688341e-03 -3.742732988e-01 4.90 -1.239155366e-01 8.688313689e-03 -3.666072121e-01 4.92 -1.208816079e-01 9.857859911e-03 -3.586789519e-01 4.94 -1.140723566e-01 8.642344689e-03 -3.445140719e-01 4.96 -9.434061619e-02 1.060191075e-03 -3.045996585e-01 4.98 -5.064531534e-02 -9.305781327e-03 -1.915187504e-01 5.00 -3.207677243e-23 -1.288462637e-22 -1.363442823e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 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