# 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 = NbZr3 # 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 3.849523041e+02 nan nan 0.98 3.504388266e+02 nan nan 1.00 3.193855674e+02 nan nan 1.02 2.913048597e+02 nan nan 1.04 2.662027513e+02 nan nan 1.06 2.433344193e+02 3.618136145e+02 nan 1.08 2.225969680e+02 3.318904587e+02 3.897810687e+02 1.10 2.042387140e+02 3.052740431e+02 3.583803472e+02 1.12 1.874438794e+02 2.810955898e+02 3.297285369e+02 1.14 1.722524120e+02 2.584987731e+02 3.037636849e+02 1.16 1.579359137e+02 2.383484519e+02 2.794922487e+02 1.18 1.451422714e+02 2.202125069e+02 2.572956694e+02 1.20 1.332428187e+02 2.032277858e+02 2.368313501e+02 1.22 1.224481869e+02 1.876882350e+02 2.184912458e+02 1.24 1.126495956e+02 1.735854534e+02 2.017956222e+02 1.26 1.037324601e+02 1.605374724e+02 1.866551080e+02 1.28 9.546313249e+01 1.485635623e+02 1.727489700e+02 1.30 8.769866185e+01 1.377544048e+02 1.597973821e+02 1.32 8.062756002e+01 1.276050724e+02 1.478376350e+02 1.34 7.421608229e+01 1.180931505e+02 1.371565781e+02 1.36 6.823320592e+01 1.091616071e+02 1.273089283e+02 1.38 6.265200125e+01 1.010293344e+02 1.180543744e+02 1.40 5.763109986e+01 9.352185954e+01 1.096040825e+02 1.42 5.299349824e+01 8.647460661e+01 1.019431322e+02 1.44 4.869739091e+01 7.993737300e+01 9.479577408e+01 1.46 4.475707894e+01 7.383671268e+01 8.813865523e+01 1.48 4.121594362e+01 6.824996641e+01 8.200650112e+01 1.50 3.789009184e+01 6.314386261e+01 7.638292877e+01 1.52 3.476808770e+01 5.840225384e+01 7.106753933e+01 1.54 3.188101227e+01 5.397153341e+01 6.604495291e+01 1.56 2.927363339e+01 4.978776195e+01 6.130729869e+01 1.58 2.686122081e+01 4.591331876e+01 5.684458431e+01 1.60 2.460617073e+01 4.241064583e+01 5.270883041e+01 1.62 2.257741896e+01 3.919731122e+01 4.880788737e+01 1.64 2.072794372e+01 3.615956720e+01 4.518973320e+01 1.66 1.900764690e+01 3.329240390e+01 4.179345560e+01 1.68 1.746154247e+01 3.060060618e+01 3.865033244e+01 1.70 1.602000721e+01 2.811842049e+01 3.591854952e+01 1.72 1.467432193e+01 2.586242347e+01 3.335325792e+01 1.74 1.331205180e+01 2.379807918e+01 3.092479721e+01 1.76 1.198385322e+01 2.191604259e+01 2.863614028e+01 1.78 1.073024891e+01 2.023533441e+01 2.647281493e+01 1.80 9.601681127e+00 1.871390112e+01 2.446259340e+01 1.82 8.628992160e+00 1.727242196e+01 2.261908060e+01 1.84 7.778563807e+00 1.594841476e+01 2.092452603e+01 1.86 6.929121569e+00 1.467326523e+01 1.934349104e+01 1.88 6.131915841e+00 1.348822896e+01 1.785684035e+01 1.90 5.424621647e+00 1.240344132e+01 1.643467918e+01 1.92 4.838320790e+00 1.140906481e+01 1.509189042e+01 1.94 4.337569357e+00 1.047912365e+01 1.385622343e+01 1.96 3.859732883e+00 9.589974924e+00 1.274012907e+01 1.98 3.384788123e+00 8.725878647e+00 1.169363051e+01 2.00 2.945753714e+00 7.888675202e+00 1.067856286e+01 2.02 2.562882598e+00 7.117242213e+00 9.724442817e+00 2.04 2.170997868e+00 6.436763793e+00 8.938221642e+00 2.06 1.765308541e+00 5.810077312e+00 8.177444180e+00 2.08 1.317629376e+00 5.203284951e+00 7.411694505e+00 2.10 6.942323563e-01 4.645494011e+00 6.705137830e+00 2.12 1.411696493e-01 4.184894560e+00 6.130037101e+00 2.14 -3.782351928e-01 3.711563143e+00 5.542189903e+00 2.16 -8.561099246e-01 3.266417772e+00 5.011415831e+00 2.18 -1.308767564e+00 2.844116679e+00 4.526612029e+00 2.20 -1.757787257e+00 2.447178434e+00 4.078127408e+00 2.22 -2.206083435e+00 2.062741740e+00 3.649301247e+00 2.24 -2.607503398e+00 1.577860150e+00 3.221185823e+00 2.26 -2.915651404e+00 9.910568477e-01 2.789682535e+00 2.28 -3.151201307e+00 4.562665469e-01 2.345110493e+00 2.30 -3.410888409e+00 -4.322306778e-02 1.978552861e+00 2.32 -3.700275195e+00 -5.160595896e-01 1.390293384e+00 2.34 -3.990908852e+00 -9.536670127e-01 8.288620385e-01 2.36 -4.265147290e+00 -1.350054636e+00 3.121013440e-01 2.38 -4.512573365e+00 -1.715507788e+00 -1.622613941e-01 2.40 -4.741520509e+00 -2.064368122e+00 -6.035287582e-01 2.42 -4.955828170e+00 -2.389874907e+00 -1.016152220e+00 2.44 -5.159713415e+00 -2.680942975e+00 -1.403357243e+00 2.46 -5.355384953e+00 -2.958201464e+00 -1.771124972e+00 2.48 -5.520837475e+00 -3.232420961e+00 -2.125662944e+00 2.50 -5.661508853e+00 -3.494717456e+00 -2.466501035e+00 2.52 -5.778134483e+00 -3.747042678e+00 -2.784358512e+00 2.54 -5.879691973e+00 -3.985948072e+00 -3.071200510e+00 2.56 -5.975877498e+00 -4.220281514e+00 -3.340227648e+00 2.58 -6.070307933e+00 -4.436862189e+00 -3.570527716e+00 2.60 -6.163404689e+00 -4.647114873e+00 -3.778801420e+00 2.62 -6.247573270e+00 -4.859709287e+00 -3.973596783e+00 2.64 -6.311540679e+00 -5.077768964e+00 -4.166801309e+00 2.66 -6.350637200e+00 -5.288607281e+00 -4.369066530e+00 2.68 -6.373551147e+00 -5.479000194e+00 -4.579228250e+00 2.70 -6.396501453e+00 -5.634443217e+00 -4.784335007e+00 2.72 -6.426695393e+00 -5.758647474e+00 -4.966259835e+00 2.74 -6.447334260e+00 -5.866434104e+00 -5.111999722e+00 2.76 -6.465338350e+00 -5.969364082e+00 -5.271933005e+00 2.78 -6.488316206e+00 -6.068963077e+00 -5.421202497e+00 2.80 -6.513450831e+00 -6.162090520e+00 -5.550210938e+00 2.82 -6.532183789e+00 -6.245033064e+00 -5.655485483e+00 2.84 -6.538723640e+00 -6.313790970e+00 -5.748460615e+00 2.86 -6.531420877e+00 -6.369447961e+00 -5.845663249e+00 2.88 -6.515386770e+00 -6.415451764e+00 -5.946961327e+00 2.90 -6.496823198e+00 -6.455856745e+00 -6.050188136e+00 2.92 -6.481587068e+00 -6.493733021e+00 -6.152697973e+00 2.94 -6.471412948e+00 -6.530865248e+00 -6.247171480e+00 2.96 -6.462659686e+00 -6.565228181e+00 -6.328065695e+00 2.98 -6.450867885e+00 -6.592502690e+00 -6.393086109e+00 3.00 -6.432503746e+00 -6.610278056e+00 -6.444908804e+00 3.02 -6.406754813e+00 -6.620201909e+00 -6.485080092e+00 3.04 -6.375516528e+00 -6.622230559e+00 -6.518565594e+00 3.06 -6.341899807e+00 -6.616870833e+00 -6.551148728e+00 3.08 -6.309358474e+00 -6.610197753e+00 -6.583820458e+00 3.10 -6.279930975e+00 -6.610462075e+00 -6.615263250e+00 3.12 -6.253091703e+00 -6.614561285e+00 -6.641021954e+00 3.14 -6.223888439e+00 -6.610507531e+00 -6.658031192e+00 3.16 -6.182795590e+00 -6.591620238e+00 -6.667233133e+00 3.18 -6.120151528e+00 -6.552958327e+00 -6.669901500e+00 3.20 -6.034802783e+00 -6.502884048e+00 -6.667364504e+00 3.22 -5.938176424e+00 -6.457205166e+00 -6.660441666e+00 3.24 -5.841189690e+00 -6.430690051e+00 -6.648842613e+00 3.26 -5.751500587e+00 -6.412210151e+00 -6.632148603e+00 3.28 -5.671095713e+00 -6.391290967e+00 -6.610064401e+00 3.30 -5.598686421e+00 -6.367934085e+00 -6.583341102e+00 3.32 -5.533732745e+00 -6.342005746e+00 -6.553004538e+00 3.34 -5.467463266e+00 -6.313308135e+00 -6.519631180e+00 3.36 -5.392914076e+00 -6.281616347e+00 -6.483784905e+00 3.38 -5.304857018e+00 -6.245767576e+00 -6.446520268e+00 3.40 -5.201565419e+00 -6.199540420e+00 -6.409442372e+00 3.42 -5.080280865e+00 -6.132906865e+00 -6.374928175e+00 3.44 -4.939599021e+00 -6.048477315e+00 -6.345018831e+00 3.46 -4.767600042e+00 -5.962428568e+00 -6.316415573e+00 3.48 -4.556494020e+00 -5.877242067e+00 -6.282386677e+00 3.50 -4.309992660e+00 -5.785257750e+00 -6.234849081e+00 3.52 -4.038934383e+00 -5.687717520e+00 -6.168165010e+00 3.54 -3.753833921e+00 -5.590412771e+00 -6.084245653e+00 3.56 -3.458421452e+00 -5.498864733e+00 -5.992677626e+00 3.58 -3.162219888e+00 -5.417145745e+00 -5.916214751e+00 3.60 -2.899865827e+00 -5.344347835e+00 -5.851235248e+00 3.62 -2.700793940e+00 -5.276549448e+00 -5.786220654e+00 3.64 -2.567057058e+00 -5.209599485e+00 -5.723773583e+00 3.66 -2.472652726e+00 -5.141377095e+00 -5.665947670e+00 3.68 -2.399390360e+00 -5.070632071e+00 -5.612744175e+00 3.70 -2.338288840e+00 -4.995517976e+00 -5.562418400e+00 3.72 -2.284387264e+00 -4.913512284e+00 -5.513490574e+00 3.74 -2.234060750e+00 -4.822875981e+00 -5.464704361e+00 3.76 -2.184120891e+00 -4.723904470e+00 -5.414786804e+00 3.78 -2.133833818e+00 -4.617957240e+00 -5.362352648e+00 3.80 -2.083656090e+00 -4.507265902e+00 -5.305460263e+00 3.82 -2.034202392e+00 -4.384701620e+00 -5.241017769e+00 3.84 -1.986161983e+00 -4.246919878e+00 -5.164478944e+00 3.86 -1.940227698e+00 -4.095698741e+00 -5.069721534e+00 3.88 -1.896540382e+00 -3.933794958e+00 -4.948087339e+00 3.90 -1.854679227e+00 -3.762126783e+00 -4.787542567e+00 3.92 -1.814278324e+00 -3.577368189e+00 -4.578062252e+00 3.94 -1.775064995e+00 -3.376444426e+00 -4.326252830e+00 3.96 -1.737086425e+00 -3.162233173e+00 -4.054432474e+00 3.98 -1.700463387e+00 -2.953077440e+00 -3.781127694e+00 4.00 -1.665509804e+00 -2.773547563e+00 -3.509169221e+00 4.02 -1.632150944e+00 -2.637154020e+00 -3.242648642e+00 4.04 -1.600096956e+00 -2.530005544e+00 -3.004129655e+00 4.06 -1.569044816e+00 -2.438308384e+00 -2.816971392e+00 4.08 -1.538522316e+00 -2.355368736e+00 -2.684545699e+00 4.10 -1.507844482e+00 -2.281426574e+00 -2.593843607e+00 4.12 -1.476316744e+00 -2.217017434e+00 -2.528959164e+00 4.14 -1.443467260e+00 -2.161181415e+00 -2.479656249e+00 4.16 -1.408912923e+00 -2.112159027e+00 -2.439464275e+00 4.18 -1.372302551e+00 -2.067830273e+00 -2.403947660e+00 4.20 -1.333466655e+00 -2.026083356e+00 -2.369717107e+00 4.22 -1.292800433e+00 -1.985705393e+00 -2.334828582e+00 4.24 -1.251035795e+00 -1.946218502e+00 -2.298422968e+00 4.26 -1.209112494e+00 -1.907453232e+00 -2.260120207e+00 4.28 -1.168030293e+00 -1.869181522e+00 -2.219582977e+00 4.30 -1.128850756e+00 -1.831154271e+00 -2.176395678e+00 4.32 -1.092221534e+00 -1.793105951e+00 -2.130632608e+00 4.34 -1.058342017e+00 -1.754870313e+00 -2.082939285e+00 4.36 -1.027378533e+00 -1.716582819e+00 -2.034826032e+00 4.38 -9.992395316e-01 -1.678440563e+00 -1.988043142e+00 4.40 -9.737268001e-01 -1.640637036e+00 -1.942777974e+00 4.42 -9.506645906e-01 -1.603282922e+00 -1.898052875e+00 4.44 -9.300394178e-01 -1.566410801e+00 -1.854720522e+00 4.46 -9.118694869e-01 -1.530280261e+00 -1.813581020e+00 4.48 -8.959966374e-01 -1.495335326e+00 -1.774751084e+00 4.50 -8.816513784e-01 -1.461586626e+00 -1.737488509e+00 4.52 -8.678776281e-01 -1.429047329e+00 -1.701004085e+00 4.54 -8.537997105e-01 -1.397753702e+00 -1.664515607e+00 4.56 -8.386534445e-01 -1.367744279e+00 -1.627252703e+00 4.58 -8.217017649e-01 -1.338587432e+00 -1.588454447e+00 4.60 -8.024229858e-01 -1.309164602e+00 -1.547399001e+00 4.62 -7.815401174e-01 -1.278867838e+00 -1.504101817e+00 4.64 -7.602258732e-01 -1.247461718e+00 -1.459023430e+00 4.66 -7.395277443e-01 -1.214741381e+00 -1.412610921e+00 4.68 -7.202597532e-01 -1.180563114e+00 -1.365344503e+00 4.70 -7.031970367e-01 -1.145270700e+00 -1.317793864e+00 4.72 -6.891118401e-01 -1.109735713e+00 -1.270664734e+00 4.74 -6.777561692e-01 -1.074770942e+00 -1.224700101e+00 4.76 -6.684195238e-01 -1.040736818e+00 -1.180222338e+00 4.78 -6.603946895e-01 -1.007830963e+00 -1.137466056e+00 4.80 -6.529405312e-01 -9.762034947e-01 -1.096690935e+00 4.82 -6.452918428e-01 -9.458791311e-01 -1.058073174e+00 4.84 -6.367906351e-01 -9.168068998e-01 -1.021710675e+00 4.86 -6.274594780e-01 -8.889280697e-01 -9.876485115e-01 4.88 -6.172951009e-01 -8.621822914e-01 -9.559025561e-01 4.90 -6.062540878e-01 -8.365065656e-01 -9.264636360e-01 4.92 -5.942875044e-01 -8.118650462e-01 -8.993093916e-01 4.94 -5.813321692e-01 -7.884051924e-01 -8.744115586e-01 4.96 -5.672758257e-01 -7.663455880e-01 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