# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = WZr3 # 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 2025-12-17 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 5.026924974e+02 nan nan 0.98 4.627979306e+02 nan nan 1.00 4.262440018e+02 nan nan 1.02 3.927652436e+02 nan nan 1.04 3.624161239e+02 nan nan 1.06 3.347400805e+02 4.771755519e+02 nan 1.08 3.094204053e+02 4.433206518e+02 4.956326722e+02 1.10 2.863561940e+02 4.120921152e+02 4.597051173e+02 1.12 2.653722697e+02 3.837279184e+02 4.268685209e+02 1.14 2.461710835e+02 3.567608614e+02 3.972101199e+02 1.16 2.282627290e+02 3.314032874e+02 3.697653008e+02 1.18 2.122281611e+02 3.084037749e+02 3.448836647e+02 1.20 1.971580266e+02 2.870663550e+02 3.222086373e+02 1.22 1.829091766e+02 2.671468265e+02 3.014733716e+02 1.24 1.694660902e+02 2.490108644e+02 2.815823025e+02 1.26 1.570390716e+02 2.322037298e+02 2.626489618e+02 1.28 1.457034675e+02 2.164926176e+02 2.452977570e+02 1.30 1.350909486e+02 2.019629485e+02 2.291750686e+02 1.32 1.251870280e+02 1.885187416e+02 2.138362177e+02 1.34 1.161756896e+02 1.761571763e+02 1.996584734e+02 1.36 1.078992820e+02 1.645488160e+02 1.867830077e+02 1.38 1.000270115e+02 1.536091054e+02 1.748102307e+02 1.40 9.263445370e+01 1.433563883e+02 1.634360883e+02 1.42 8.578825740e+01 1.339260819e+02 1.528846022e+02 1.44 7.935348772e+01 1.251445543e+02 1.430463341e+02 1.46 7.330979837e+01 1.167544691e+02 1.336913486e+02 1.48 6.771609991e+01 1.087375065e+02 1.248256359e+02 1.50 6.254200758e+01 1.011169971e+02 1.166465670e+02 1.52 5.772543685e+01 9.396714543e+01 1.090356740e+02 1.54 5.322502614e+01 8.738879005e+01 1.019236266e+02 1.56 4.901267829e+01 8.128433138e+01 9.520331938e+01 1.58 4.505275373e+01 7.549787183e+01 8.879539990e+01 1.60 4.139217039e+01 7.000873225e+01 8.272124573e+01 1.62 3.805234141e+01 6.489527922e+01 7.713652307e+01 1.64 3.492561821e+01 6.015579216e+01 7.202583107e+01 1.66 3.196608540e+01 5.569377449e+01 6.716479325e+01 1.68 2.919874507e+01 5.149425845e+01 6.249112136e+01 1.70 2.661135515e+01 4.765183691e+01 5.807014101e+01 1.72 2.428875483e+01 4.418143245e+01 5.388236451e+01 1.74 2.218631621e+01 4.097856580e+01 4.994776601e+01 1.76 2.027117303e+01 3.798716801e+01 4.631363273e+01 1.78 1.846869194e+01 3.523483235e+01 4.294752795e+01 1.80 1.678935064e+01 3.271481935e+01 3.975616577e+01 1.82 1.530347063e+01 3.037924359e+01 3.672788028e+01 1.84 1.403634960e+01 2.823680343e+01 3.391847169e+01 1.86 1.290112171e+01 2.614538012e+01 3.135716898e+01 1.88 1.185747731e+01 2.415575344e+01 2.897593450e+01 1.90 1.091164699e+01 2.224852396e+01 2.669126052e+01 1.92 9.975500451e+00 2.043768756e+01 2.451486679e+01 1.94 9.087592325e+00 1.877228114e+01 2.253118040e+01 1.96 8.215909780e+00 1.725540708e+01 2.077267639e+01 1.98 7.346122074e+00 1.582959209e+01 1.918409423e+01 2.00 6.501554363e+00 1.445319175e+01 1.771530905e+01 2.02 5.704065634e+00 1.315444762e+01 1.636402627e+01 2.04 4.949660903e+00 1.197210142e+01 1.513940169e+01 2.06 4.235000399e+00 1.092737112e+01 1.401344097e+01 2.08 3.555762594e+00 9.974339690e+00 1.298596566e+01 2.10 2.861199678e+00 9.121358710e+00 1.206978866e+01 2.12 2.202325955e+00 8.403222034e+00 1.131926443e+01 2.14 1.086104598e+00 7.622501405e+00 1.042105682e+01 2.16 2.029732650e-01 6.858112437e+00 9.486508554e+00 2.18 -4.879277979e-01 6.109381248e+00 8.569231530e+00 2.20 -1.094573748e+00 5.313919401e+00 7.725256320e+00 2.22 -1.690820486e+00 4.518798110e+00 6.957019704e+00 2.24 -2.261410376e+00 3.793850580e+00 6.223056882e+00 2.26 -2.769452592e+00 3.151162182e+00 5.439373997e+00 2.28 -3.210908559e+00 2.571013632e+00 4.661190580e+00 2.30 -3.606138343e+00 2.029286307e+00 3.933488778e+00 2.32 -3.973387724e+00 1.323175952e+00 3.266134884e+00 2.34 -4.316243303e+00 5.092758558e-01 2.599619885e+00 2.36 -4.637059043e+00 -2.497234368e-01 1.632113600e+00 2.38 -4.935088659e+00 -9.536323990e-01 8.082202017e-01 2.40 -5.198824600e+00 -1.590043203e+00 8.848312986e-02 2.42 -5.421232374e+00 -2.140579429e+00 -5.421507087e-01 2.44 -5.614742479e+00 -2.615929642e+00 -1.104056993e+00 2.46 -5.795935585e+00 -3.038390619e+00 -1.603007233e+00 2.48 -5.973976164e+00 -3.432324127e+00 -2.044102948e+00 2.50 -6.147620347e+00 -3.806519248e+00 -2.436688075e+00 2.52 -6.301897028e+00 -4.155069440e+00 -2.799464442e+00 2.54 -6.418022271e+00 -4.461138210e+00 -3.148367384e+00 2.56 -6.496670354e+00 -4.732164551e+00 -3.486562847e+00 2.58 -6.554925982e+00 -4.976083051e+00 -3.798919281e+00 2.60 -6.608980856e+00 -5.200455608e+00 -4.067799876e+00 2.62 -6.664306703e+00 -5.416066191e+00 -4.290577480e+00 2.64 -6.719789353e+00 -5.627043035e+00 -4.487068872e+00 2.66 -6.775018337e+00 -5.821859509e+00 -4.679911634e+00 2.68 -6.826774664e+00 -6.001714786e+00 -4.883492592e+00 2.70 -6.862360774e+00 -6.160287211e+00 -5.094770626e+00 2.72 -6.879536332e+00 -6.292362964e+00 -5.311201807e+00 2.74 -6.884672971e+00 -6.404409092e+00 -5.525088374e+00 2.76 -6.886496760e+00 -6.499049147e+00 -5.717932240e+00 2.78 -6.887822819e+00 -6.578749914e+00 -5.873777203e+00 2.80 -6.878964088e+00 -6.650104430e+00 -6.016014602e+00 2.82 -6.868465365e+00 -6.719971326e+00 -6.130725592e+00 2.84 -6.848821566e+00 -6.789759442e+00 -6.223524362e+00 2.86 -6.823153761e+00 -6.852878720e+00 -6.302945223e+00 2.88 -6.792824105e+00 -6.902050011e+00 -6.381898785e+00 2.90 -6.761029391e+00 -6.935097485e+00 -6.463187289e+00 2.92 -6.735121544e+00 -6.956049668e+00 -6.545431873e+00 2.94 -6.713928228e+00 -6.968548424e+00 -6.623118580e+00 2.96 -6.693339475e+00 -6.973530690e+00 -6.690551232e+00 2.98 -6.669514072e+00 -6.977019746e+00 -6.739790512e+00 3.00 -6.642430147e+00 -6.981123008e+00 -6.774104754e+00 3.02 -6.609490165e+00 -6.981113783e+00 -6.810386898e+00 3.04 -6.570982885e+00 -6.965012892e+00 -6.838762130e+00 3.06 -6.530096942e+00 -6.934442913e+00 -6.857092419e+00 3.08 -6.487459341e+00 -6.893672889e+00 -6.872369014e+00 3.10 -6.443669522e+00 -6.847911668e+00 -6.888601931e+00 3.12 -6.401428359e+00 -6.799737885e+00 -6.904629405e+00 3.14 -6.360594179e+00 -6.741594724e+00 -6.916165096e+00 3.16 -6.320587997e+00 -6.689715259e+00 -6.919687505e+00 3.18 -6.281054309e+00 -6.642430942e+00 -6.912800966e+00 3.20 -6.239561283e+00 -6.603251275e+00 -6.894765386e+00 3.22 -6.194832713e+00 -6.564597154e+00 -6.868233032e+00 3.24 -6.140697150e+00 -6.533829694e+00 -6.838068259e+00 3.26 -6.073107370e+00 -6.508001779e+00 -6.808280518e+00 3.28 -6.001980260e+00 -6.481989736e+00 -6.782272276e+00 3.30 -5.922934308e+00 -6.447924819e+00 -6.760897287e+00 3.32 -5.850621134e+00 -6.408693371e+00 -6.741405168e+00 3.34 -5.780111518e+00 -6.359905893e+00 -6.719224646e+00 3.36 -5.699130651e+00 -6.303251314e+00 -6.689331846e+00 3.38 -5.581075070e+00 -6.255204254e+00 -6.650616080e+00 3.40 -5.419648267e+00 -6.201479527e+00 -6.605813551e+00 3.42 -5.256411369e+00 -6.117516935e+00 -6.556667588e+00 3.44 -5.094481552e+00 -6.036135024e+00 -6.503417827e+00 3.46 -4.867976180e+00 -5.967111156e+00 -6.447777564e+00 3.48 -4.525936520e+00 -5.899870646e+00 -6.390999340e+00 3.50 -4.104477824e+00 -5.821149732e+00 -6.333482938e+00 3.52 -3.711779926e+00 -5.733058165e+00 -6.276698708e+00 3.54 -3.364540454e+00 -5.637584943e+00 -6.222842296e+00 3.56 -3.047278963e+00 -5.543839027e+00 -6.173007589e+00 3.58 -2.774600065e+00 -5.460091471e+00 -6.127904712e+00 3.60 -2.563216383e+00 -5.384505374e+00 -6.087519636e+00 3.62 -2.414035087e+00 -5.313592017e+00 -6.048226463e+00 3.64 -2.306890222e+00 -5.241808878e+00 -6.009988571e+00 3.66 -2.222871717e+00 -5.166212018e+00 -5.971344337e+00 3.68 -2.149892173e+00 -5.088425517e+00 -5.929258551e+00 3.70 -2.080839635e+00 -5.009738002e+00 -5.885521313e+00 3.72 -2.013998033e+00 -4.929622191e+00 -5.842692345e+00 3.74 -1.949647804e+00 -4.843200527e+00 -5.795681429e+00 3.76 -1.887620740e+00 -4.744354116e+00 -5.744198223e+00 3.78 -1.828742657e+00 -4.636498968e+00 -5.683050699e+00 3.80 -1.774283123e+00 -4.535829737e+00 -5.587568945e+00 3.82 -1.725273527e+00 -4.437646901e+00 -5.433451252e+00 3.84 -1.682378660e+00 -4.310922474e+00 -5.261763905e+00 3.86 -1.645928492e+00 -4.122052452e+00 -5.114726772e+00 3.88 -1.615714872e+00 -3.858242419e+00 -4.945658915e+00 3.90 -1.590452064e+00 -3.571389870e+00 -4.704894120e+00 3.92 -1.568691614e+00 -3.301506474e+00 -4.379393346e+00 3.94 -1.549108926e+00 -3.047780657e+00 -4.031493157e+00 3.96 -1.530617720e+00 -2.820132106e+00 -3.713314288e+00 3.98 -1.512241279e+00 -2.641110663e+00 -3.423467910e+00 4.00 -1.493351237e+00 -2.516887068e+00 -3.151889175e+00 4.02 -1.474061683e+00 -2.427322454e+00 -2.904823373e+00 4.04 -1.454855007e+00 -2.353226754e+00 -2.698032823e+00 4.06 -1.436188594e+00 -2.283392748e+00 -2.539652748e+00 4.08 -1.418319320e+00 -2.215687355e+00 -2.428027480e+00 4.10 -1.401248679e+00 -2.151544538e+00 -2.349382434e+00 4.12 -1.384935152e+00 -2.091936871e+00 -2.292134370e+00 4.14 -1.369100216e+00 -2.037432950e+00 -2.246105823e+00 4.16 -1.353353412e+00 -1.988060119e+00 -2.203521486e+00 4.18 -1.337348096e+00 -1.943175875e+00 -2.160564545e+00 4.20 -1.320866755e+00 -1.901763433e+00 -2.115501714e+00 4.22 -1.304136603e+00 -1.862956782e+00 -2.067714403e+00 4.24 -1.287565620e+00 -1.826276347e+00 -2.018663585e+00 4.26 -1.271424974e+00 -1.791588688e+00 -1.969835076e+00 4.28 -1.255818183e+00 -1.758855238e+00 -1.922642545e+00 4.30 -1.240798333e+00 -1.728086893e+00 -1.878503398e+00 4.32 -1.226081667e+00 -1.699315318e+00 -1.838160706e+00 4.34 -1.211028918e+00 -1.672556616e+00 -1.801562920e+00 4.36 -1.195081835e+00 -1.647345489e+00 -1.768636859e+00 4.38 -1.178227311e+00 -1.622846765e+00 -1.739185278e+00 4.40 -1.160894274e+00 -1.598181376e+00 -1.712047164e+00 4.42 -1.143551812e+00 -1.572610158e+00 -1.685687513e+00 4.44 -1.126828264e+00 -1.545565812e+00 -1.660040152e+00 4.46 -1.111380348e+00 -1.516763798e+00 -1.635046662e+00 4.48 -1.097685289e+00 -1.486675947e+00 -1.610470220e+00 4.50 -1.085152715e+00 -1.455966028e+00 -1.586056176e+00 4.52 -1.072514925e+00 -1.425328923e+00 -1.561587924e+00 4.54 -1.058537918e+00 -1.395453314e+00 -1.536833303e+00 4.56 -1.042063434e+00 -1.367011349e+00 -1.511538659e+00 4.58 -1.021936651e+00 -1.340223872e+00 -1.485423078e+00 4.60 -9.971844569e-01 -1.314544796e+00 -1.458232145e+00 4.62 -9.683981838e-01 -1.289649888e+00 -1.430183562e+00 4.64 -9.370799583e-01 -1.265373768e+00 -1.401714977e+00 4.66 -9.047294496e-01 -1.241547497e+00 -1.373282130e+00 4.68 -8.727702225e-01 -1.218023649e+00 -1.345375938e+00 4.70 -8.426599918e-01 -1.194923092e+00 -1.318530451e+00 4.72 -8.158103742e-01 -1.172620649e+00 -1.293323782e+00 4.74 -7.923371392e-01 -1.151438151e+00 -1.270247788e+00 4.76 -7.716297883e-01 -1.131227731e+00 -1.249102506e+00 4.78 -7.530580818e-01 -1.111690459e+00 -1.229419929e+00 4.80 -7.359533923e-01 -1.092519161e+00 -1.210706950e+00 4.82 -7.196303531e-01 -1.073368715e+00 -1.192453327e+00 4.84 -7.034863660e-01 -1.053913479e+00 -1.174134036e+00 4.86 -6.873878894e-01 -1.033820653e+00 -1.155211904e+00 4.88 -6.710749955e-01 -1.012857612e+00 -1.135308094e+00 4.90 -6.542445695e-01 -9.912193379e-01 -1.114686422e+00 4.92 -6.365923411e-01 -9.692573725e-01 -1.093780582e+00 4.94 -6.178032990e-01 -9.474560847e-01 -1.073025365e+00 4.96 -5.975512119e-01 -9.262786473e-01 -1.052855561e+00 4.98 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