# 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 = Nb3Zr # 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 1.330010391e+03 nan nan 0.98 1.163843891e+03 nan nan 1.00 1.019125845e+03 nan nan 1.02 8.928787623e+02 nan nan 1.04 7.829336331e+02 nan nan 1.06 6.867287327e+02 1.202054600e+03 nan 1.08 6.025285081e+02 1.062039471e+03 1.287796379e+03 1.10 5.290011016e+02 9.392522965e+02 1.141482812e+03 1.12 4.644348248e+02 8.310845373e+02 1.012280921e+03 1.14 4.078394253e+02 7.352216001e+02 8.984341989e+02 1.16 3.579753396e+02 6.509688421e+02 7.974810145e+02 1.18 3.143784614e+02 5.766716039e+02 7.084618935e+02 1.20 2.761095091e+02 5.105866557e+02 6.295253575e+02 1.22 2.426260885e+02 4.521200276e+02 5.596732012e+02 1.24 2.134137711e+02 4.005351203e+02 4.972969655e+02 1.26 1.878005701e+02 3.549382130e+02 4.413402200e+02 1.28 1.651519553e+02 3.147065194e+02 3.913817758e+02 1.30 1.449870381e+02 2.791891467e+02 3.474502605e+02 1.32 1.272258948e+02 2.475987277e+02 3.085744439e+02 1.34 1.115736920e+02 2.194587394e+02 2.743211651e+02 1.36 9.785960892e+01 1.944093988e+02 2.438925213e+02 1.38 8.570237352e+01 1.722820836e+02 2.166510808e+02 1.40 7.557595837e+01 1.526241766e+02 1.924622605e+02 1.42 6.626315498e+01 1.350337543e+02 1.710905389e+02 1.44 5.816767744e+01 1.193983399e+02 1.521475042e+02 1.46 5.110806759e+01 1.054787932e+02 1.353547779e+02 1.48 4.497909678e+01 9.331961682e+01 1.204998987e+02 1.50 3.952426864e+01 8.248705835e+01 1.073630361e+02 1.52 3.474511812e+01 7.290843276e+01 9.563539347e+01 1.54 3.059880489e+01 6.440956053e+01 8.502913686e+01 1.56 2.700494356e+01 5.682237468e+01 7.543488908e+01 1.58 2.380972431e+01 5.011702063e+01 6.675320361e+01 1.60 2.091584722e+01 4.423479601e+01 5.898611808e+01 1.62 1.833280495e+01 3.902254712e+01 5.207039625e+01 1.64 1.599759014e+01 3.435686279e+01 4.591360443e+01 1.66 1.387089223e+01 3.017703440e+01 4.043373423e+01 1.68 1.204494325e+01 2.641000047e+01 3.555847520e+01 1.70 1.051408168e+01 2.306196049e+01 3.134481641e+01 1.72 9.274373463e+00 2.043179709e+01 2.804312068e+01 1.74 8.084485243e+00 1.788357980e+01 2.471993536e+01 1.76 7.017128795e+00 1.567053154e+01 2.180578926e+01 1.78 6.040422703e+00 1.374251721e+01 1.921832250e+01 1.80 5.156365615e+00 1.205791100e+01 1.696745079e+01 1.82 4.395966482e+00 1.058166905e+01 1.502794506e+01 1.84 3.720796040e+00 9.311793994e+00 1.332156547e+01 1.86 3.054941128e+00 8.216259129e+00 1.177640904e+01 1.88 2.438504722e+00 7.260529593e+00 1.041311360e+01 1.90 1.909812278e+00 6.436918458e+00 9.185361012e+00 1.92 1.500154311e+00 5.721226182e+00 8.076365378e+00 1.94 1.175953799e+00 5.072504935e+00 7.109278381e+00 1.96 8.682499332e-01 4.467815894e+00 6.322313068e+00 1.98 5.478442261e-01 3.906836499e+00 5.671740369e+00 2.00 2.577649230e-01 3.399886440e+00 5.085637296e+00 2.02 3.661045985e-02 2.963445237e+00 4.553856846e+00 2.04 -1.742661645e-01 2.592619393e+00 4.195268202e+00 2.06 -3.890650538e-01 2.245613408e+00 3.833722351e+00 2.08 -6.898577036e-01 1.897839502e+00 3.382171526e+00 2.10 -1.179302450e+00 1.576635896e+00 2.981700267e+00 2.12 -1.610883289e+00 1.283216964e+00 2.635665585e+00 2.14 -2.054134242e+00 1.000443575e+00 2.352771027e+00 2.16 -2.479208520e+00 7.132290265e-01 2.108240319e+00 2.18 -2.871452702e+00 4.221822011e-01 1.877727729e+00 2.20 -3.261717734e+00 1.418303450e-01 1.643628512e+00 2.22 -3.664446424e+00 -1.406071589e-01 1.388147298e+00 2.24 -4.041677719e+00 -5.073332039e-01 1.102462362e+00 2.26 -4.329174348e+00 -9.808176302e-01 7.959663359e-01 2.28 -4.532437834e+00 -1.401181085e+00 5.044936189e-01 2.30 -4.765648885e+00 -1.790628733e+00 1.879723392e-01 2.32 -5.023970928e+00 -2.159605453e+00 -3.806944485e-01 2.34 -5.278716423e+00 -2.508538824e+00 -9.338950670e-01 2.36 -5.518166554e+00 -2.838213720e+00 -1.405338355e+00 2.38 -5.744687431e+00 -3.154857902e+00 -1.836775012e+00 2.40 -5.961778792e+00 -3.460364541e+00 -2.239239986e+00 2.42 -6.158205244e+00 -3.743579791e+00 -2.613122561e+00 2.44 -6.332733773e+00 -3.998071362e+00 -2.958484440e+00 2.46 -6.487839734e+00 -4.241559902e+00 -3.281225783e+00 2.48 -6.616557002e+00 -4.484794232e+00 -3.588873343e+00 2.50 -6.718033185e+00 -4.723645461e+00 -3.884055082e+00 2.52 -6.796408771e+00 -4.959321241e+00 -4.159808620e+00 2.54 -6.858128067e+00 -5.192639211e+00 -4.409678195e+00 2.56 -6.917998948e+00 -5.427375881e+00 -4.650689549e+00 2.58 -6.965769124e+00 -5.632437063e+00 -4.857542771e+00 2.60 -7.019884470e+00 -5.834945900e+00 -5.045915627e+00 2.62 -7.081488972e+00 -6.044198824e+00 -5.220225807e+00 2.64 -7.119582402e+00 -6.248370654e+00 -5.387070391e+00 2.66 -7.120372690e+00 -6.438262019e+00 -5.551956340e+00 2.68 -7.096293823e+00 -6.592667484e+00 -5.713472563e+00 2.70 -7.074051846e+00 -6.708605020e+00 -5.864715613e+00 2.72 -7.071646119e+00 -6.797915287e+00 -5.997422000e+00 2.74 -7.073206208e+00 -6.873721155e+00 -6.108869045e+00 2.76 -7.075743330e+00 -6.946743007e+00 -6.241837824e+00 2.78 -7.077038441e+00 -7.016702996e+00 -6.369345348e+00 2.80 -7.074856916e+00 -7.077840700e+00 -6.452910452e+00 2.82 -7.063740213e+00 -7.124014616e+00 -6.529989019e+00 2.84 -7.037722864e+00 -7.152471590e+00 -6.605445203e+00 2.86 -6.995739040e+00 -7.169223444e+00 -6.664199583e+00 2.88 -6.943877470e+00 -7.181037447e+00 -6.727542737e+00 2.90 -6.889870283e+00 -7.191964487e+00 -6.784123777e+00 2.92 -6.839942146e+00 -7.198821885e+00 -6.847175972e+00 2.94 -6.793389959e+00 -7.196549914e+00 -6.908369777e+00 2.96 -6.744498068e+00 -7.185403981e+00 -6.957480934e+00 2.98 -6.688394859e+00 -7.165034819e+00 -6.985625292e+00 3.00 -6.623938434e+00 -7.138447254e+00 -6.996098335e+00 3.02 -6.551186347e+00 -7.109819967e+00 -6.998739179e+00 3.04 -6.471387203e+00 -7.083727321e+00 -7.003156814e+00 3.06 -6.388511861e+00 -7.059835611e+00 -7.013506810e+00 3.08 -6.307522889e+00 -7.035202645e+00 -7.024533458e+00 3.10 -6.232648010e+00 -7.007487614e+00 -7.030688981e+00 3.12 -6.163938648e+00 -6.968562276e+00 -7.024537507e+00 3.14 -6.092276517e+00 -6.915247445e+00 -7.004273545e+00 3.16 -6.006858973e+00 -6.850969723e+00 -6.974036880e+00 3.18 -5.897070619e+00 -6.777414418e+00 -6.938078361e+00 3.20 -5.759136077e+00 -6.702791901e+00 -6.900297274e+00 3.22 -5.602313127e+00 -6.638646848e+00 -6.862683041e+00 3.24 -5.444450012e+00 -6.596332244e+00 -6.825559749e+00 3.26 -5.289822579e+00 -6.563488762e+00 -6.789335485e+00 3.28 -5.139640122e+00 -6.528974637e+00 -6.751963145e+00 3.30 -5.008194007e+00 -6.490370868e+00 -6.713725974e+00 3.32 -4.902405872e+00 -6.445687562e+00 -6.678076756e+00 3.34 -4.815629570e+00 -6.392739090e+00 -6.648129992e+00 3.36 -4.739889560e+00 -6.329182219e+00 -6.626150451e+00 3.38 -4.670189138e+00 -6.252474124e+00 -6.608898614e+00 3.40 -4.605917707e+00 -6.159587524e+00 -6.590479983e+00 3.42 -4.541144849e+00 -6.048045094e+00 -6.565850951e+00 3.44 -4.472499303e+00 -5.917667159e+00 -6.530232082e+00 3.46 -4.386771370e+00 -5.779154311e+00 -6.481443314e+00 3.48 -4.262735480e+00 -5.647895382e+00 -6.418270002e+00 3.50 -4.095097348e+00 -5.527393386e+00 -6.339994296e+00 3.52 -3.903033722e+00 -5.416861217e+00 -6.246264956e+00 3.54 -3.692150278e+00 -5.317217438e+00 -6.138688545e+00 3.56 -3.517040395e+00 -5.231177694e+00 -6.035129648e+00 3.58 -3.413997714e+00 -5.158884537e+00 -5.951630697e+00 3.60 -3.315883460e+00 -5.096455653e+00 -5.880062662e+00 3.62 -3.226707084e+00 -5.039695765e+00 -5.810334238e+00 3.64 -3.157317584e+00 -4.983619203e+00 -5.745255487e+00 3.66 -3.105214576e+00 -4.927536491e+00 -5.686586030e+00 3.68 -3.066920879e+00 -4.872711048e+00 -5.633310601e+00 3.70 -3.039150037e+00 -4.818389650e+00 -5.582604421e+00 3.72 -3.018511985e+00 -4.763593482e+00 -5.531666866e+00 3.74 -3.001496402e+00 -4.707317564e+00 -5.477882990e+00 3.76 -2.984715272e+00 -4.647887886e+00 -5.419027813e+00 3.78 -2.965945317e+00 -4.583847354e+00 -5.353156461e+00 3.80 -2.943425930e+00 -4.513849529e+00 -5.278678551e+00 3.82 -2.915581596e+00 -4.432036014e+00 -5.194649693e+00 3.84 -2.880718990e+00 -4.335924404e+00 -5.098959359e+00 3.86 -2.836788085e+00 -4.224611529e+00 -4.985771884e+00 3.88 -2.782109254e+00 -4.096674299e+00 -4.844195136e+00 3.90 -2.717248315e+00 -3.949545562e+00 -4.656546022e+00 3.92 -2.644386961e+00 -3.783853524e+00 -4.416213424e+00 3.94 -2.566984741e+00 -3.611401365e+00 -4.144037041e+00 3.96 -2.490105654e+00 -3.453451760e+00 -3.851271808e+00 3.98 -2.418142607e+00 -3.310428039e+00 -3.559756928e+00 4.00 -2.350620903e+00 -3.166799664e+00 -3.330099379e+00 4.02 -2.286021415e+00 -3.018481496e+00 -3.135008099e+00 4.04 -2.223860939e+00 -2.877492186e+00 -2.945461048e+00 4.06 -2.164411447e+00 -2.755162995e+00 -2.778519265e+00 4.08 -2.106698719e+00 -2.652861833e+00 -2.646166432e+00 4.10 -2.049062852e+00 -2.566641789e+00 -2.549325017e+00 4.12 -1.992565892e+00 -2.494570725e+00 -2.484950089e+00 4.14 -1.938984407e+00 -2.435343513e+00 -2.446056301e+00 4.16 -1.889949232e+00 -2.387101384e+00 -2.424670401e+00 4.18 -1.846618992e+00 -2.347365544e+00 -2.412684149e+00 4.20 -1.809502228e+00 -2.313471627e+00 -2.402339644e+00 4.22 -1.777712154e+00 -2.284748687e+00 -2.390300558e+00 4.24 -1.749908802e+00 -2.260710507e+00 -2.376936495e+00 4.26 -1.724778144e+00 -2.240367695e+00 -2.362817729e+00 4.28 -1.701117309e+00 -2.222717948e+00 -2.348499027e+00 4.30 -1.677818513e+00 -2.206726726e+00 -2.334538222e+00 4.32 -1.654413344e+00 -2.191305558e+00 -2.321220906e+00 4.34 -1.631348253e+00 -2.175519738e+00 -2.308603596e+00 4.36 -1.609149646e+00 -2.159315485e+00 -2.297434447e+00 4.38 -1.588112406e+00 -2.142952647e+00 -2.288721040e+00 4.40 -1.568441689e+00 -2.126804037e+00 -2.281881226e+00 4.42 -1.550325262e+00 -2.111372133e+00 -2.275579631e+00 4.44 -1.533836222e+00 -2.097278762e+00 -2.270246937e+00 4.46 -1.519010719e+00 -2.085181971e+00 -2.266294576e+00 4.48 -1.505751266e+00 -2.075265255e+00 -2.263675655e+00 4.50 -1.493379286e+00 -2.067049006e+00 -2.261641187e+00 4.52 -1.481032929e+00 -2.059925065e+00 -2.259362540e+00 4.54 -1.467812764e+00 -2.053238493e+00 -2.256009650e+00 4.56 -1.452782189e+00 -2.046299496e+00 -2.250752212e+00 4.58 -1.435101807e+00 -2.038217715e+00 -2.242741314e+00 4.60 -1.414243661e+00 -2.027811132e+00 -2.231114312e+00 4.62 -1.390694395e+00 -2.014121577e+00 -2.215268172e+00 4.64 -1.364773660e+00 -1.996396726e+00 -2.194775213e+00 4.66 -1.337266589e+00 -1.973914059e+00 -2.169140650e+00 4.68 -1.309374272e+00 -1.945991558e+00 -2.137781231e+00 4.70 -1.283239805e+00 -1.912276229e+00 -2.100001743e+00 4.72 -1.262326859e+00 -1.872747078e+00 -2.054970747e+00 4.74 -1.250093824e+00 -1.827680887e+00 -2.002104503e+00 4.76 -1.247511796e+00 -1.778535527e+00 -1.942813057e+00 4.78 -1.251381878e+00 -1.727202829e+00 -1.879489837e+00 4.80 -1.257586570e+00 -1.675610575e+00 -1.814839334e+00 4.82 -1.261939762e+00 -1.625472878e+00 -1.751683079e+00 4.84 -1.260506454e+00 -1.578272967e+00 -1.692748467e+00 4.86 -1.250718675e+00 -1.535297259e+00 -1.640499621e+00 4.88 -1.233152867e+00 -1.497031213e+00 -1.596121756e+00 4.90 -1.208711852e+00 -1.462664466e+00 -1.558572736e+00 4.92 -1.178059718e+00 -1.431444054e+00 -1.526553372e+00 4.94 -1.141842912e+00 -1.403419442e+00 -1.498843670e+00 4.96 -1.100837158e+00 -1.378586429e+00 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