# 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 = W3Zr # 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 2.254168480e+02 nan nan 0.98 2.099590364e+02 nan nan 1.00 1.956822708e+02 nan nan 1.02 1.828113922e+02 nan nan 1.04 1.710985337e+02 nan nan 1.06 1.602451014e+02 2.151558238e+02 nan 1.08 1.501191516e+02 2.028870107e+02 2.221489420e+02 1.10 1.406957272e+02 1.913811781e+02 2.083135505e+02 1.12 1.318614096e+02 1.809717483e+02 1.956777379e+02 1.14 1.235960860e+02 1.702648376e+02 1.844678382e+02 1.16 1.157464115e+02 1.596991902e+02 1.739378846e+02 1.18 1.089797880e+02 1.503089241e+02 1.641468759e+02 1.20 1.026720581e+02 1.414583112e+02 1.552214250e+02 1.22 9.684289800e+01 1.330685350e+02 1.470815491e+02 1.24 9.121065924e+01 1.255481182e+02 1.396664379e+02 1.26 8.591734863e+01 1.185250650e+02 1.320362616e+02 1.28 8.103508883e+01 1.118702427e+02 1.242112877e+02 1.30 7.626073314e+01 1.056959579e+02 1.172569610e+02 1.32 7.168726071e+01 9.997313680e+01 1.105971707e+02 1.34 6.742106452e+01 9.466065800e+01 1.044403338e+02 1.36 6.352094520e+01 8.949465263e+01 9.895775366e+01 1.38 5.968847949e+01 8.461179363e+01 9.385677548e+01 1.40 5.600255973e+01 7.998658350e+01 8.895549909e+01 1.42 5.244683187e+01 7.578050470e+01 8.446463191e+01 1.44 4.898088071e+01 7.186197481e+01 8.015370036e+01 1.46 4.562026648e+01 6.797303496e+01 7.584562433e+01 1.48 4.246405089e+01 6.412207417e+01 7.158479641e+01 1.50 3.948068513e+01 6.031944133e+01 6.759437365e+01 1.52 3.663142630e+01 5.662128494e+01 6.383881064e+01 1.54 3.395577594e+01 5.315658099e+01 6.025986017e+01 1.56 3.148666763e+01 4.985891886e+01 5.677632347e+01 1.58 2.917241878e+01 4.664248990e+01 5.332743947e+01 1.60 2.707526751e+01 4.353061208e+01 5.003658272e+01 1.62 2.519148683e+01 4.060142233e+01 4.704347294e+01 1.64 2.334128356e+01 3.786151138e+01 4.437519308e+01 1.66 2.144663751e+01 3.526420701e+01 4.182604431e+01 1.68 1.957600868e+01 3.280927326e+01 3.930288913e+01 1.70 1.779796374e+01 3.055413304e+01 3.688796578e+01 1.72 1.620437201e+01 2.851879717e+01 3.452372361e+01 1.74 1.480367900e+01 2.663206037e+01 3.222569204e+01 1.76 1.353578970e+01 2.484549081e+01 3.010931260e+01 1.78 1.228787452e+01 2.319095943e+01 2.813357690e+01 1.80 1.109107109e+01 2.166593081e+01 2.621482849e+01 1.82 1.006412208e+01 2.023576220e+01 2.437914999e+01 1.84 9.226495512e+00 1.890103939e+01 2.268583621e+01 1.86 8.509229947e+00 1.760964863e+01 2.115592793e+01 1.88 7.871110818e+00 1.637910346e+01 1.971651515e+01 1.90 7.291023993e+00 1.519796889e+01 1.827428226e+01 1.92 6.678872654e+00 1.409753700e+01 1.685528560e+01 1.94 6.083358403e+00 1.313286450e+01 1.556635906e+01 1.96 5.495730734e+00 1.227017147e+01 1.444395448e+01 1.98 4.917549280e+00 1.143048032e+01 1.342719404e+01 2.00 4.350710353e+00 1.056620709e+01 1.245850178e+01 2.02 3.784801712e+00 9.718153176e+00 1.152976282e+01 2.04 3.209482402e+00 8.929537919e+00 1.065229161e+01 2.06 2.622604728e+00 8.202990072e+00 9.858238043e+00 2.08 2.026421093e+00 7.479942069e+00 9.117974587e+00 2.10 1.419773363e+00 6.792177169e+00 8.469008424e+00 2.12 3.870074100e-01 6.137895643e+00 7.910067945e+00 2.14 -6.042037254e-01 5.433826214e+00 7.284371399e+00 2.16 -1.428188002e+00 4.718954741e+00 6.620952604e+00 2.18 -2.306869350e+00 3.991203233e+00 5.946627875e+00 2.20 -3.073643133e+00 3.246081548e+00 5.285925745e+00 2.22 -3.769765297e+00 2.532103141e+00 4.667790964e+00 2.24 -4.367189161e+00 1.896410960e+00 4.077544513e+00 2.26 -4.915355632e+00 1.348036364e+00 3.475533830e+00 2.28 -5.436269914e+00 8.699203615e-01 2.888728068e+00 2.30 -5.897566965e+00 4.388026668e-01 2.358429650e+00 2.32 -6.294697638e+00 3.640114781e-02 1.897307571e+00 2.34 -6.635319349e+00 -5.941027655e-01 1.425996020e+00 2.36 -6.926659333e+00 -1.495943619e+00 7.586658299e-01 2.38 -7.165885035e+00 -2.540463382e+00 -3.918510404e-01 2.40 -7.377550919e+00 -3.407983281e+00 -1.376738633e+00 2.42 -7.558667117e+00 -4.083627500e+00 -2.204531251e+00 2.44 -7.701230374e+00 -4.609826626e+00 -2.922234258e+00 2.46 -7.818038020e+00 -5.062754438e+00 -3.538065254e+00 2.48 -7.931892990e+00 -5.496841663e+00 -4.059036188e+00 2.50 -8.028398022e+00 -5.911867376e+00 -4.494415822e+00 2.52 -8.099528776e+00 -6.257541674e+00 -4.877035452e+00 2.54 -8.140849645e+00 -6.556691747e+00 -5.231115952e+00 2.56 -8.145883280e+00 -6.811997530e+00 -5.558985268e+00 2.58 -8.124033901e+00 -7.036795326e+00 -5.846592736e+00 2.60 -8.085341477e+00 -7.238440645e+00 -6.074184290e+00 2.62 -8.038990803e+00 -7.435245653e+00 -6.241141972e+00 2.64 -7.998360164e+00 -7.618320777e+00 -6.376924292e+00 2.66 -7.955359014e+00 -7.775808853e+00 -6.516173095e+00 2.68 -7.909239761e+00 -7.909347424e+00 -6.683723474e+00 2.70 -7.861570079e+00 -8.014784818e+00 -6.875977247e+00 2.72 -7.806017283e+00 -8.092161863e+00 -7.077057183e+00 2.74 -7.739478616e+00 -8.147355342e+00 -7.239250653e+00 2.76 -7.668973727e+00 -8.185486365e+00 -7.366068709e+00 2.78 -7.604070363e+00 -8.209778770e+00 -7.490403968e+00 2.80 -7.541215902e+00 -8.224141539e+00 -7.594311295e+00 2.82 -7.475918061e+00 -8.229703605e+00 -7.678334657e+00 2.84 -7.406523871e+00 -8.229428619e+00 -7.733471329e+00 2.86 -7.331715950e+00 -8.223622760e+00 -7.772467901e+00 2.88 -7.253400150e+00 -8.207032638e+00 -7.792124156e+00 2.90 -7.174760186e+00 -8.171382184e+00 -7.808570354e+00 2.92 -7.098979094e+00 -8.118752531e+00 -7.814611162e+00 2.94 -7.027454974e+00 -8.049929618e+00 -7.836811783e+00 2.96 -6.959156929e+00 -7.973646811e+00 -7.846942327e+00 2.98 -6.892006527e+00 -7.900568423e+00 -7.840762746e+00 3.00 -6.824103672e+00 -7.824037356e+00 -7.789850480e+00 3.02 -6.752334522e+00 -7.750934732e+00 -7.737091819e+00 3.04 -6.671951422e+00 -7.676123290e+00 -7.678892835e+00 3.06 -6.573294447e+00 -7.598926213e+00 -7.634800259e+00 3.08 -6.440418932e+00 -7.520399714e+00 -7.596554541e+00 3.10 -6.265160442e+00 -7.440115276e+00 -7.558893724e+00 3.12 -6.119583755e+00 -7.355145657e+00 -7.519034141e+00 3.14 -5.984029508e+00 -7.265096484e+00 -7.474079717e+00 3.16 -5.842032652e+00 -7.168341392e+00 -7.423737203e+00 3.18 -5.735254497e+00 -7.073865455e+00 -7.368399998e+00 3.20 -5.559127702e+00 -6.982782131e+00 -7.310242781e+00 3.22 -5.229980281e+00 -6.896256259e+00 -7.251376167e+00 3.24 -4.936343411e+00 -6.818491606e+00 -7.193329109e+00 3.26 -4.701551356e+00 -6.745926051e+00 -7.137509529e+00 3.28 -4.524424870e+00 -6.665819271e+00 -7.085053883e+00 3.30 -4.393041299e+00 -6.561317312e+00 -7.036680037e+00 3.32 -4.290051079e+00 -6.444659053e+00 -6.993441700e+00 3.34 -4.203917114e+00 -6.318706614e+00 -6.956121306e+00 3.36 -4.134397124e+00 -6.198297707e+00 -6.931176671e+00 3.38 -4.080146317e+00 -6.083901731e+00 -6.917690906e+00 3.40 -4.028480435e+00 -6.004052559e+00 -6.887574228e+00 3.42 -3.980010198e+00 -5.930983812e+00 -6.841344497e+00 3.44 -3.939211561e+00 -5.867011493e+00 -6.782088221e+00 3.46 -3.859396092e+00 -5.802264309e+00 -6.710293684e+00 3.48 -3.766531467e+00 -5.724805080e+00 -6.635874135e+00 3.50 -3.552199845e+00 -5.643126399e+00 -6.567449314e+00 3.52 -3.318544219e+00 -5.564652928e+00 -6.508653606e+00 3.54 -3.166815888e+00 -5.508073563e+00 -6.450832415e+00 3.56 -3.140960452e+00 -5.479794956e+00 -6.396122323e+00 3.58 -3.124025291e+00 -5.478508712e+00 -6.351663305e+00 3.60 -3.115223924e+00 -5.489532282e+00 -6.310105367e+00 3.62 -3.112534716e+00 -5.497032544e+00 -6.265819871e+00 3.64 -3.108527827e+00 -5.485083776e+00 -6.217834138e+00 3.66 -3.100739564e+00 -5.447362147e+00 -6.163104686e+00 3.68 -3.091173407e+00 -5.391485557e+00 -6.100038570e+00 3.70 -3.081272514e+00 -5.326957707e+00 -6.030149242e+00 3.72 -3.071631019e+00 -5.261676481e+00 -5.955372690e+00 3.74 -3.063364530e+00 -5.198679878e+00 -5.869359815e+00 3.76 -3.057804774e+00 -5.123740477e+00 -5.787977852e+00 3.78 -3.052538035e+00 -5.023955925e+00 -5.682260049e+00 3.80 -3.042217338e+00 -4.900747123e+00 -5.565031765e+00 3.82 -3.025008574e+00 -4.762943837e+00 -5.422868617e+00 3.84 -2.999722193e+00 -4.571956767e+00 -5.292602040e+00 3.86 -2.963945724e+00 -4.262620690e+00 -5.150278543e+00 3.88 -2.917715905e+00 -3.893400174e+00 -4.790977367e+00 3.90 -2.865099586e+00 -3.526814048e+00 -4.392446198e+00 3.92 -2.811231265e+00 -3.201095854e+00 -3.892490973e+00 3.94 -2.760997418e+00 -2.979346991e+00 -3.423884223e+00 3.96 -2.716419877e+00 -2.807644598e+00 -3.028590521e+00 3.98 -2.678877012e+00 -2.659054658e+00 -2.761386636e+00 4.00 -2.647769538e+00 -2.537363082e+00 -2.538088215e+00 4.02 -2.621591316e+00 -2.440050523e+00 -2.328466194e+00 4.04 -2.599026328e+00 -2.361023388e+00 -2.139961046e+00 4.06 -2.578622996e+00 -2.293492657e+00 -1.972191717e+00 4.08 -2.559383235e+00 -2.232379806e+00 -1.826262507e+00 4.10 -2.540968131e+00 -2.175271641e+00 -1.709456792e+00 4.12 -2.522883844e+00 -2.121499069e+00 -1.627838802e+00 4.14 -2.504249575e+00 -2.072231295e+00 -1.576065484e+00 4.16 -2.483937508e+00 -2.028682054e+00 -1.544258676e+00 4.18 -2.460854709e+00 -1.992355389e+00 -1.521482992e+00 4.20 -2.434252958e+00 -1.965394739e+00 -1.496481972e+00 4.22 -2.404872414e+00 -1.948751530e+00 -1.463609158e+00 4.24 -2.374327175e+00 -1.942193416e+00 -1.428494826e+00 4.26 -2.344211275e+00 -1.945688417e+00 -1.398605042e+00 4.28 -2.316099570e+00 -1.959136082e+00 -1.382533497e+00 4.30 -2.291682487e+00 -1.982016226e+00 -1.389440507e+00 4.32 -2.271471821e+00 -2.013344693e+00 -1.421552334e+00 4.34 -2.253407179e+00 -2.051588121e+00 -1.473754273e+00 4.36 -2.234781623e+00 -2.093853518e+00 -1.539005762e+00 4.38 -2.213213586e+00 -2.137001711e+00 -1.609898940e+00 4.40 -2.186637743e+00 -2.178270635e+00 -1.680622256e+00 4.42 -2.153218282e+00 -2.214837492e+00 -1.748864665e+00 4.44 -2.113815760e+00 -2.243786369e+00 -1.812018083e+00 4.46 -2.070777003e+00 -2.262724475e+00 -1.867460483e+00 4.48 -2.026935285e+00 -2.272040223e+00 -1.914237562e+00 4.50 -1.985221963e+00 -2.274950674e+00 -1.954835187e+00 4.52 -1.948210695e+00 -2.274969741e+00 -1.992171188e+00 4.54 -1.916627372e+00 -2.275599146e+00 -2.029154418e+00 4.56 -1.887392339e+00 -2.280315865e+00 -2.068669473e+00 4.58 -1.856829832e+00 -2.291740933e+00 -2.113537350e+00 4.60 -1.821195859e+00 -2.310669323e+00 -2.166316515e+00 4.62 -1.776951294e+00 -2.335458110e+00 -2.226353066e+00 4.64 -1.721302847e+00 -2.362499538e+00 -2.290083306e+00 4.66 -1.659088259e+00 -2.388216153e+00 -2.353928738e+00 4.68 -1.598400477e+00 -2.409233958e+00 -2.414596158e+00 4.70 -1.548049990e+00 -2.423205928e+00 -2.469015987e+00 4.72 -1.518409085e+00 -2.428935920e+00 -2.514157233e+00 4.74 -1.518521968e+00 -2.425667468e+00 -2.547491475e+00 4.76 -1.546960754e+00 -2.414820912e+00 -2.569568229e+00 4.78 -1.589146837e+00 -2.398736722e+00 -2.582206335e+00 4.80 -1.632270086e+00 -2.379688994e+00 -2.587202433e+00 4.82 -1.664047289e+00 -2.358737571e+00 -2.586350954e+00 4.84 -1.672726819e+00 -2.336004574e+00 -2.581470605e+00 4.86 -1.649622383e+00 -2.311554351e+00 -2.574407883e+00 4.88 -1.599359046e+00 -2.285081385e+00 -2.566556125e+00 4.90 -1.531403753e+00 -2.255422644e+00 -2.558211004e+00 4.92 -1.455230366e+00 -2.221595390e+00 -2.549508170e+00 4.94 -1.378917534e+00 -2.185302732e+00 -2.540581524e+00 4.96 -1.313140162e+00 -2.149617286e+00 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