# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Al3Co # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.569175704e+02 nan nan 0.98 2.358029424e+02 nan nan 1.00 2.167683247e+02 nan nan 1.02 1.991887979e+02 nan nan 1.04 1.833733639e+02 nan nan 1.06 1.686921060e+02 nan nan 1.08 1.550869685e+02 2.258344248e+02 nan 1.10 1.429856044e+02 2.093543175e+02 2.356920017e+02 1.12 1.314448458e+02 1.936329990e+02 2.182110021e+02 1.14 1.212413900e+02 1.789917073e+02 2.027332103e+02 1.16 1.115441874e+02 1.658257339e+02 1.877800180e+02 1.18 1.027732737e+02 1.535270495e+02 1.741527723e+02 1.20 9.439576465e+01 1.428581148e+02 1.617440852e+02 1.22 8.709652939e+01 1.323113869e+02 1.505883572e+02 1.24 7.995682765e+01 1.223829738e+02 1.397565384e+02 1.26 7.374970408e+01 1.135189941e+02 1.298898091e+02 1.28 6.767284232e+01 1.052289488e+02 1.206467019e+02 1.30 6.242974062e+01 9.756781338e+01 1.118884407e+02 1.32 5.726443065e+01 9.021456456e+01 1.040490227e+02 1.34 5.243584553e+01 8.388788844e+01 9.642963201e+01 1.36 4.824657303e+01 7.752212089e+01 8.952488401e+01 1.38 4.427342858e+01 7.166173908e+01 8.328234561e+01 1.40 4.043417157e+01 6.618269641e+01 7.713372044e+01 1.42 3.705988384e+01 6.109796701e+01 7.159151311e+01 1.44 3.399977036e+01 5.684953160e+01 6.626328177e+01 1.46 3.095439759e+01 5.277694948e+01 6.179319310e+01 1.48 2.812170004e+01 4.862569787e+01 5.713554426e+01 1.50 2.550472047e+01 4.476947227e+01 5.301250821e+01 1.52 2.331928173e+01 4.135491120e+01 4.895937174e+01 1.54 2.116414842e+01 3.833746332e+01 4.551523652e+01 1.56 1.907051070e+01 3.519615128e+01 4.197124387e+01 1.58 1.718089547e+01 3.233535872e+01 3.875977761e+01 1.60 1.539068469e+01 2.961560093e+01 3.567821657e+01 1.62 1.403108990e+01 2.708693240e+01 3.280771658e+01 1.64 1.247850420e+01 2.473570313e+01 3.046144816e+01 1.66 1.104556007e+01 2.271226216e+01 2.794067999e+01 1.68 9.723396974e+00 2.082727347e+01 2.559221013e+01 1.70 8.503846868e+00 1.890969681e+01 2.340411011e+01 1.72 7.589048152e+00 1.712704453e+01 2.136535133e+01 1.74 6.632389243e+00 1.564034385e+01 1.946572926e+01 1.76 5.704564511e+00 1.408616963e+01 1.819135761e+01 1.78 4.799574081e+00 1.264199462e+01 1.650160186e+01 1.80 3.966991937e+00 1.130028699e+01 1.492798557e+01 1.82 3.261709427e+00 1.027089236e+01 1.364314228e+01 1.84 2.553886357e+00 9.096516389e+00 1.226489866e+01 1.86 2.010512650e+00 8.333974794e+00 1.098210751e+01 1.88 1.506926603e+00 7.296994744e+00 9.788431933e+00 1.90 9.663204321e-01 6.335341463e+00 8.852078913e+00 1.92 4.510221206e-01 5.443941613e+00 7.806156147e+00 1.94 -1.992322336e-02 4.705042805e+00 6.833861970e+00 1.96 -4.497235920e-01 3.933912971e+00 5.930367828e+00 1.98 -8.413569967e-01 3.220302192e+00 5.091174215e+00 2.00 -1.197588836e+00 2.560366499e+00 4.488369862e+00 2.02 -1.520987844e+00 1.950523655e+00 3.752891544e+00 2.04 -1.813940755e+00 1.387434042e+00 3.070847642e+00 2.06 -1.926661390e+00 8.679830668e-01 2.438768059e+00 2.08 -2.143069521e+00 3.892649644e-01 1.853412274e+00 2.10 -2.332445877e+00 9.470789946e-02 1.482531709e+00 2.12 -2.509964223e+00 -2.400869857e-01 1.054583411e+00 2.14 -2.695625684e+00 -6.270940109e-01 5.752248509e-01 2.16 -2.861030368e+00 -9.821633494e-01 1.327649648e-01 2.18 -3.007680645e+00 -1.307427477e+00 -2.751870634e-01 2.20 -3.136974998e+00 -1.604879522e+00 -6.508682777e-01 2.22 -3.250215329e+00 -1.876382801e+00 -9.963723856e-01 2.24 -3.261612099e+00 -1.949676386e+00 -1.270158615e+00 2.26 -3.351873773e+00 -2.185549671e+00 -1.563852274e+00 2.28 -3.429117881e+00 -2.399660456e+00 -1.832705689e+00 2.30 -3.494345043e+00 -2.593479289e+00 -2.078340252e+00 2.32 -3.447641177e+00 -2.768382391e+00 -2.302275179e+00 2.34 -3.396975180e+00 -2.925657874e+00 -2.505934206e+00 2.36 -3.443868277e+00 -3.066511515e+00 -2.690651813e+00 2.38 -3.481326768e+00 -3.192072140e+00 -2.857679007e+00 2.40 -3.510099623e+00 -3.303396621e+00 -2.679394665e+00 2.42 -3.530884600e+00 -3.401474541e+00 -2.834551512e+00 2.44 -3.544331668e+00 -3.312814521e+00 -2.974106670e+00 2.46 -3.551046192e+00 -3.397510411e+00 -3.099099972e+00 2.48 -3.551591900e+00 -3.470952630e+00 -3.210507089e+00 2.50 -3.546493651e+00 -3.533937789e+00 -3.309243542e+00 2.52 -3.536240010e+00 -3.421254542e+00 -3.396168437e+00 2.54 -3.521285658e+00 -3.475164368e+00 -3.472087960e+00 2.56 -3.502053632e+00 -3.520160818e+00 -3.537758652e+00 2.58 -3.478937420e+00 -3.556888922e+00 -3.534793217e+00 2.60 -3.452302910e+00 -3.585953119e+00 -3.585346760e+00 2.62 -3.422490216e+00 -3.607919761e+00 -3.627470520e+00 2.64 -3.389815378e+00 -3.623319460e+00 -3.661761033e+00 2.66 -3.354571950e+00 -3.632649281e+00 -3.688778118e+00 2.68 -3.317032486e+00 -3.636374806e+00 -3.709047108e+00 2.70 -3.225769062e+00 -3.634932061e+00 -3.723060930e+00 2.72 -3.187080787e+00 -3.628729324e+00 -3.731282058e+00 2.74 -3.146661914e+00 -3.574242906e+00 -3.734144352e+00 2.76 -3.039516140e+00 -3.561953873e+00 -3.732054773e+00 2.78 -2.999907964e+00 -3.545858844e+00 -3.725394998e+00 2.80 -2.958945825e+00 -3.526277251e+00 -3.714522936e+00 2.82 -2.863543480e+00 -3.503507966e+00 -3.526525810e+00 2.84 -2.823049349e+00 -3.477830545e+00 -3.517189301e+00 2.86 -2.781562894e+00 -3.449506401e+00 -3.504124230e+00 2.88 -2.739230722e+00 -3.418779902e+00 -3.487630077e+00 2.90 -2.696188504e+00 -3.385879405e+00 -3.467987718e+00 2.92 -2.652561684e+00 -3.351018225e+00 -3.445460515e+00 2.94 -2.608466141e+00 -3.314395546e+00 -3.420295341e+00 2.96 -2.564008818e+00 -3.276197281e+00 -3.392723543e+00 2.98 -2.519288303e+00 -3.236596874e+00 -3.362961857e+00 3.00 -2.474395380e+00 -3.195756056e+00 -3.331213254e+00 3.02 -2.429413537e+00 -3.153825560e+00 -3.297667754e+00 3.04 -2.384419455e+00 -3.110945787e+00 -3.262503181e+00 3.06 -2.339483455e+00 -3.067247435e+00 -3.225885879e+00 3.08 -2.294669922e+00 -3.022852092e+00 -3.187971381e+00 3.10 -2.250037702e+00 -2.977872792e+00 -3.148905050e+00 3.12 -2.205640473e+00 -2.932414534e+00 -3.108822670e+00 3.14 -2.161527093e+00 -2.886574781e+00 -3.067851014e+00 3.16 -2.073435414e+00 -2.783667439e+00 -2.937495336e+00 3.18 -2.032045770e+00 -2.739967444e+00 -2.899146254e+00 3.20 -1.990968763e+00 -2.696015970e+00 -2.860055202e+00 3.22 -1.950241147e+00 -2.651890187e+00 -2.820326116e+00 3.24 -1.909896122e+00 -2.607661542e+00 -2.780055934e+00 3.26 -1.869963578e+00 -2.563396106e+00 -2.739334999e+00 3.28 -1.830470319e+00 -2.519154909e+00 -2.698247450e+00 3.30 -1.791440279e+00 -2.304465958e+00 -2.656871581e+00 3.32 -1.752894721e+00 -2.268031786e+00 -2.615280189e+00 3.34 -1.714852428e+00 -2.231442206e+00 -2.573540892e+00 3.36 -1.677329874e+00 -2.194755563e+00 -2.531716439e+00 3.38 -1.535949898e+00 -2.158025931e+00 -2.489864997e+00 3.40 -1.503885576e+00 -2.121303373e+00 -2.448040423e+00 3.42 -1.472196905e+00 -2.084634177e+00 -2.406292521e+00 3.44 -1.440899991e+00 -2.048061079e+00 -2.364667284e+00 3.46 -1.410009080e+00 -2.011623482e+00 -2.323207123e+00 3.48 -1.379536690e+00 -1.975357655e+00 -2.281951085e+00 3.50 -1.316300696e+00 -1.939296919e+00 -2.240935052e+00 3.52 -1.288171813e+00 -1.903471832e+00 -2.200191939e+00 3.54 -1.260424665e+00 -1.867910356e+00 -2.159751872e+00 3.56 -1.233068813e+00 -1.832638017e+00 -2.119642358e+00 3.58 -1.206112502e+00 -1.797678053e+00 -2.079888452e+00 3.60 -1.179562749e+00 -1.763051563e+00 -2.040512903e+00 3.62 -1.153425435e+00 -1.728777636e+00 -2.001536303e+00 3.64 -1.120887133e+00 -1.694873477e+00 -1.789513104e+00 3.66 -1.095905264e+00 -1.661354533e+00 -1.758389542e+00 3.68 -1.071332744e+00 -1.628234597e+00 -1.727434804e+00 3.70 -1.047172346e+00 -1.595525923e+00 -1.696673137e+00 3.72 -1.023426031e+00 -1.563239320e+00 -1.666126822e+00 3.74 -1.000095019e+00 -1.531384250e+00 -1.635816283e+00 3.76 -9.771798371e-01 -1.499968915e+00 -1.605760204e+00 3.78 -9.546803777e-01 -1.469000344e+00 -1.575975626e+00 3.80 -9.325959483e-01 -1.438484469e+00 -1.546478049e+00 3.82 -9.109253180e-01 -1.408426201e+00 -1.517281521e+00 3.84 -8.896667622e-01 -1.378829502e+00 -1.488398730e+00 3.86 -8.688181037e-01 -1.259340936e+00 -1.459841084e+00 3.88 -8.483767519e-01 -1.234064962e+00 -1.431618790e+00 3.90 -8.283397387e-01 -1.209131268e+00 -1.403740930e+00 3.92 -8.087037529e-01 -1.184545243e+00 -1.376215528e+00 3.94 -7.894651719e-01 -1.160311460e+00 -1.349049619e+00 3.96 -7.706200911e-01 -1.136433728e+00 -1.322249311e+00 3.98 -7.521643524e-01 -1.112915147e+00 -1.295819845e+00 4.00 -7.340935696e-01 -1.089758150e+00 -1.269765650e+00 4.02 -7.164031529e-01 -1.066964556e+00 -1.244090397e+00 4.04 -6.990883313e-01 -1.044535606e+00 -1.218797047e+00 4.06 -6.821441739e-01 -1.022472008e+00 -1.193887904e+00 4.08 -6.655656098e-01 -1.000773974e+00 -1.169364652e+00 4.10 -6.493474458e-01 -9.794412546e-01 -1.145228403e+00 4.12 -6.334843839e-01 -9.584731734e-01 -1.121479734e+00 4.14 -6.179710368e-01 -9.378686601e-01 -1.098118726e+00 4.16 -6.028019433e-01 -9.176262798e-01 -1.075145001e+00 4.18 -5.879715810e-01 -8.977442613e-01 -1.052557750e+00 4.20 -5.734743798e-01 -8.782205238e-01 -1.030355770e+00 4.22 -5.593047332e-01 -8.590527020e-01 -1.008537494e+00 4.24 -5.454570091e-01 -8.402381700e-01 -9.871010137e-01 4.26 -5.319255604e-01 -8.217740632e-01 -9.660441114e-01 4.28 -5.187047337e-01 -8.036572991e-01 -9.453642823e-01 4.30 -5.057888781e-01 -7.858845975e-01 -9.250587589e-01 4.32 -4.931723529e-01 -7.684524982e-01 -9.051245325e-01 4.34 -4.808495352e-01 -7.513573788e-01 -8.855583745e-01 4.36 -4.688148261e-01 -7.345954709e-01 -8.663568557e-01 4.38 -4.570626573e-01 -7.181628751e-01 -8.475163648e-01 4.40 -4.455874961e-01 -7.020555756e-01 -8.290331257e-01 4.42 -4.343838509e-01 -6.862694531e-01 -8.109032136e-01 4.44 -4.234462755e-01 -6.708002979e-01 -7.931225704e-01 4.46 -4.127693735e-01 -6.556438214e-01 -7.307218206e-01 4.48 -4.023478022e-01 -6.407956669e-01 -7.150914641e-01 4.50 -3.921762755e-01 -6.262514202e-01 -6.997502317e-01 4.52 -3.822495676e-01 -6.120066187e-01 -6.846951660e-01 4.54 -3.725625152e-01 -5.980567610e-01 -6.699231938e-01 4.56 -3.631100203e-01 -5.843973145e-01 -6.554311380e-01 4.58 -3.538870521e-01 -5.710237237e-01 -6.412157281e-01 4.60 -3.448886490e-01 -5.579314173e-01 -6.272736111e-01 4.62 -3.361099202e-01 -5.451158147e-01 -6.136013602e-01 4.64 -3.275460470e-01 -5.325723325e-01 -6.001954846e-01 4.66 -3.191922844e-01 -5.202963902e-01 -5.870524374e-01 4.68 -3.110439614e-01 -5.082834155e-01 -5.741686239e-01 4.70 -3.030964824e-01 -4.965288495e-01 -5.615404089e-01 4.72 -2.953453275e-01 -4.850281507e-01 -5.491641233e-01 4.74 -2.877860532e-01 -4.737768002e-01 -5.370360711e-01 4.76 -2.804142926e-01 -4.627703044e-01 -5.251525353e-01 4.78 -2.732257557e-01 -4.520041998e-01 -5.135097835e-01 4.80 -2.662162290e-01 -4.414740553e-01 -5.021040730e-01 4.82 -2.593815764e-01 -4.311754757e-01 -4.909316564e-01 4.84 -2.527177381e-01 -4.211041044e-01 -4.799887852e-01 4.86 -2.462207308e-01 -4.112556256e-01 -4.692717150e-01 4.88 -2.398866475e-01 -4.016257671e-01 -4.587767089e-01 4.90 -2.337116566e-01 -3.922103019e-01 -4.485000414e-01 4.92 -2.276920019e-01 -3.830050500e-01 -4.384380017e-01 4.94 -2.218240017e-01 -3.740058806e-01 -4.285868970e-01 4.96 -2.161040483e-01 -3.652087128e-01 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