# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-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 2026-06-16 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 3.632251388e+02 nan nan 1.14 3.364775061e+02 nan nan 1.16 3.117870362e+02 nan nan 1.18 2.889699151e+02 nan nan 1.20 2.678708022e+02 nan nan 1.22 2.483562802e+02 nan nan 1.24 2.303004278e+02 nan nan 1.26 2.135809987e+02 3.168081766e+02 nan 1.28 1.980842071e+02 2.954256736e+02 3.338798473e+02 1.30 1.837114117e+02 2.755547955e+02 3.119496186e+02 1.32 1.703771810e+02 2.570748296e+02 2.915157894e+02 1.34 1.580031293e+02 2.398715685e+02 2.724573473e+02 1.36 1.465137887e+02 2.238394271e+02 2.546731208e+02 1.38 1.358406610e+02 2.088849378e+02 2.380769622e+02 1.40 1.259257622e+02 1.949272989e+02 2.225897907e+02 1.42 1.167173369e+02 1.818967940e+02 2.081351546e+02 1.44 1.081606359e+02 1.697341745e+02 1.946397688e+02 1.46 1.001987041e+02 1.583861669e+02 1.820331429e+02 1.48 9.277842747e+01 1.477993719e+02 1.702472955e+02 1.50 8.585407438e+01 1.379167930e+02 1.592180887e+02 1.52 7.938959389e+01 1.286796793e+02 1.488856177e+02 1.54 7.335741160e+01 1.200323793e+02 1.391961601e+02 1.56 6.773434654e+01 1.119258405e+02 1.301027906e+02 1.58 6.249922226e+01 1.043190103e+02 1.215654848e+02 1.60 5.763419818e+01 9.717617986e+01 1.135499857e+02 1.62 5.311332985e+01 9.046605124e+01 1.060265858e+02 1.64 4.890981741e+01 8.416209388e+01 9.896827042e+01 1.66 4.499825789e+01 7.824329807e+01 9.234913092e+01 1.68 4.135395495e+01 7.269225591e+01 8.614223959e+01 1.70 3.795373685e+01 6.749251900e+01 8.031961487e+01 1.72 3.477834569e+01 6.262778573e+01 7.485305501e+01 1.74 3.181288550e+01 5.808463028e+01 6.971683052e+01 1.76 2.904504357e+01 5.384200936e+01 6.488888402e+01 1.78 2.646317023e+01 4.987815023e+01 6.035376072e+01 1.80 2.405501177e+01 4.617262693e+01 5.609938516e+01 1.82 2.180814871e+01 4.270693990e+01 5.210844288e+01 1.84 1.971144215e+01 3.946515599e+01 4.836234154e+01 1.86 1.775586904e+01 3.643376391e+01 4.484408368e+01 1.88 1.593395640e+01 3.360083871e+01 4.153878310e+01 1.90 1.423873796e+01 3.095434661e+01 3.843372574e+01 1.92 1.266295925e+01 2.848124572e+01 3.551794946e+01 1.94 1.119874765e+01 2.616760798e+01 3.278141140e+01 1.96 9.838031859e+00 2.400003229e+01 3.021464880e+01 1.98 8.572951031e+00 2.196691533e+01 2.780848247e+01 2.00 7.396789179e+00 2.005847380e+01 2.555363942e+01 2.02 6.303768411e+00 1.826614546e+01 2.344070374e+01 2.04 5.288957036e+00 1.658201185e+01 2.146084399e+01 2.06 4.347962706e+00 1.499889903e+01 1.960564374e+01 2.08 3.476616296e+00 1.351067129e+01 1.786705517e+01 2.10 2.670714944e+00 1.211214694e+01 1.623744212e+01 2.12 1.925452643e+00 1.079898964e+01 1.470991806e+01 2.14 1.235789026e+00 9.567199688e+00 1.327866749e+01 2.16 5.963168142e-01 8.413069953e+00 1.193821648e+01 2.18 1.968518219e-03 7.332674230e+00 1.068348038e+01 2.20 -5.515843000e-01 6.321868604e+00 9.508738764e+00 2.22 -1.067675633e+00 5.376524912e+00 8.407870191e+00 2.24 -1.548634768e+00 4.492948930e+00 7.374940146e+00 2.26 -1.996020952e+00 3.667950695e+00 6.404550681e+00 2.28 -2.410803291e+00 2.898572086e+00 5.492319727e+00 2.30 -2.793919659e+00 2.181951333e+00 4.634540549e+00 2.32 -3.146430085e+00 1.514658768e+00 3.828021446e+00 2.34 -3.469764257e+00 8.928202892e-01 3.069993038e+00 2.36 -3.765751886e+00 3.125082281e-01 2.357948532e+00 2.38 -4.036512026e+00 -2.299012157e-01 1.689896083e+00 2.40 -4.284350356e+00 -7.372519871e-01 1.064173530e+00 2.42 -4.511653841e+00 -1.211735646e+00 4.793482833e-01 2.44 -4.720744502e+00 -1.655021286e+00 -6.598491706e-02 2.46 -4.913703541e+00 -2.068463500e+00 -5.737039916e-01 2.48 -5.092232636e+00 -2.453280505e+00 -1.046002718e+00 2.50 -5.257556265e+00 -2.810701717e+00 -1.485611633e+00 2.52 -5.410699213e+00 -3.142093061e+00 -1.895423687e+00 2.54 -5.552217671e+00 -3.449040776e+00 -2.278084379e+00 2.56 -5.682617179e+00 -3.733353211e+00 -2.635708837e+00 2.58 -5.802297895e+00 -3.996918189e+00 -2.969796747e+00 2.60 -5.911709802e+00 -4.241766039e+00 -3.281620085e+00 2.62 -6.011232809e+00 -4.469582494e+00 -3.572068491e+00 2.64 -6.100650583e+00 -4.681857003e+00 -3.842095874e+00 2.66 -6.178519061e+00 -4.879750336e+00 -4.092743483e+00 2.68 -6.245325811e+00 -5.064088579e+00 -4.325165820e+00 2.70 -6.301609437e+00 -5.235423018e+00 -4.540593481e+00 2.72 -6.347850521e+00 -5.394139646e+00 -4.740254714e+00 2.74 -6.384490868e+00 -5.540514672e+00 -4.925274511e+00 2.76 -6.412135046e+00 -5.674998310e+00 -5.096664552e+00 2.78 -6.431335207e+00 -5.797952015e+00 -5.255228416e+00 2.80 -6.442723410e+00 -5.909884072e+00 -5.401634512e+00 2.82 -6.446953203e+00 -6.011389390e+00 -5.536439316e+00 2.84 -6.444635401e+00 -6.103134245e+00 -5.660133998e+00 2.86 -6.435819309e+00 -6.185751820e+00 -5.773196966e+00 2.88 -6.420936073e+00 -6.259269614e+00 -5.876151931e+00 2.90 -6.400308578e+00 -6.323201927e+00 -5.969623968e+00 2.92 -6.374340890e+00 -6.378006091e+00 -6.054284910e+00 2.94 -6.343454150e+00 -6.424396953e+00 -6.131226860e+00 2.96 -6.308058311e+00 -6.462985445e+00 -6.200651300e+00 2.98 -6.268520427e+00 -6.494317854e+00 -6.261881586e+00 3.00 -6.225136598e+00 -6.518848242e+00 -6.315818650e+00 3.02 -6.178116995e+00 -6.537174891e+00 -6.363182233e+00 3.04 -6.127589510e+00 -6.549663507e+00 -6.404424619e+00 3.06 -6.073618243e+00 -6.556630212e+00 -6.439787846e+00 3.08 -6.016227129e+00 -6.558470011e+00 -6.469432221e+00 3.10 -5.955420101e+00 -6.555182549e+00 -6.493467302e+00 3.12 -5.891193876e+00 -6.546625473e+00 -6.511975402e+00 3.14 -5.823544228e+00 -6.532679419e+00 -6.525047227e+00 3.16 -5.752469216e+00 -6.513239018e+00 -6.532778788e+00 3.18 -5.677973039e+00 -6.488190114e+00 -6.535215013e+00 3.20 -5.600073582e+00 -6.457439124e+00 -6.532079362e+00 3.22 -5.518814576e+00 -6.420926405e+00 -6.523345615e+00 3.24 -5.434280403e+00 -6.378641870e+00 -6.509074057e+00 3.26 -5.346608846e+00 -6.330639076e+00 -6.489437424e+00 3.28 -5.255996421e+00 -6.277042912e+00 -6.464721216e+00 3.30 -5.162650327e+00 -6.218047551e+00 -6.435300933e+00 3.32 -5.066899444e+00 -6.153907605e+00 -6.401600501e+00 3.34 -4.968955299e+00 -6.084912363e+00 -6.364040652e+00 3.36 -4.869034782e+00 -6.011472344e+00 -6.322992146e+00 3.38 -4.767266071e+00 -5.934015354e+00 -6.278746589e+00 3.40 -4.663865555e+00 -5.853110670e+00 -6.231509161e+00 3.42 -4.558937451e+00 -5.769464621e+00 -6.181408562e+00 3.44 -4.452685261e+00 -5.683905335e+00 -6.128519629e+00 3.46 -4.345374637e+00 -5.597321828e+00 -6.072793691e+00 3.48 -4.237533535e+00 -5.510567749e+00 -6.014397679e+00 3.50 -4.129715548e+00 -5.424360387e+00 -5.953228458e+00 3.52 -4.022645342e+00 -5.339207092e+00 -5.889258845e+00 3.54 -3.917108579e+00 -5.255379009e+00 -5.822445617e+00 3.56 -3.813865923e+00 -5.172930705e+00 -5.752727496e+00 3.58 -3.713568730e+00 -5.091749464e+00 -5.680023405e+00 3.60 -3.616703645e+00 -5.011614548e+00 -5.604232750e+00 3.62 -3.523574877e+00 -4.932251190e+00 -5.525239480e+00 3.64 -3.434321127e+00 -4.853372154e+00 -5.442921798e+00 3.66 -3.348950085e+00 -4.774705857e+00 -5.357169454e+00 3.68 -3.267374551e+00 -4.696013335e+00 -5.267909988e+00 3.70 -3.189441409e+00 -4.617097462e+00 -5.175144111e+00 3.72 -3.114951500e+00 -4.537807218e+00 -5.078987806e+00 3.74 -3.043674251e+00 -4.458038573e+00 -4.979714395e+00 3.76 -2.975360388e+00 -4.377733192e+00 -4.877786298e+00 3.78 -2.909754107e+00 -4.296875194e+00 -4.773863922e+00 3.80 -2.846604629e+00 -4.215486376e+00 -4.668781200e+00 3.82 -2.785675594e+00 -4.133620012e+00 -4.563485553e+00 3.84 -2.726751723e+00 -4.051354493e+00 -4.458952069e+00 3.86 -2.669607103e+00 -3.968748153e+00 -4.356035828e+00 3.88 -2.614154302e+00 -3.886001768e+00 -4.255628029e+00 3.90 -2.560207781e+00 -3.803195354e+00 -4.158240812e+00 3.92 -2.507649190e+00 -3.720479328e+00 -4.064258170e+00 3.94 -2.456379572e+00 -3.638032816e+00 -3.973883282e+00 3.96 -2.406316455e+00 -3.556074039e+00 -3.887172449e+00 3.98 -2.357391164e+00 -3.474868745e+00 -3.804073665e+00 4.00 -2.309546275e+00 -3.394732024e+00 -3.724462025e+00 4.02 -2.262733471e+00 -3.316032357e+00 -3.648168108e+00 4.04 -2.216911598e+00 -3.238985475e+00 -3.574998294e+00 4.06 -2.172045047e+00 -3.164251577e+00 -3.504748166e+00 4.08 -2.128102348e+00 -3.091978282e+00 -3.437210977e+00 4.10 -2.085054965e+00 -3.022394726e+00 -3.372182367e+00 4.12 -2.042768846e+00 -2.955629482e+00 -3.309462681e+00 4.14 -2.001455956e+00 -2.891706904e+00 -3.248857963e+00 4.16 -1.960956242e+00 -2.830557371e+00 -3.190180188e+00 4.18 -1.921245627e+00 -2.772036829e+00 -3.133247175e+00 4.20 -1.882299508e+00 -2.715950162e+00 -3.077882555e+00 4.22 -1.844092769e+00 -2.662073808e+00 -3.023916050e+00 4.24 -1.806600024e+00 -2.610174806e+00 -2.971184148e+00 4.26 -1.769796043e+00 -2.560025221e+00 -2.919531239e+00 4.28 -1.733628196e+00 -2.511412032e+00 -2.868811037e+00 4.30 -1.698134962e+00 -2.464143259e+00 -2.818888163e+00 4.32 -1.663260161e+00 -2.418051220e+00 -2.769639676e+00 4.34 -1.628985173e+00 -2.372993574e+00 -2.720956118e+00 4.36 -1.595294111e+00 -2.328852833e+00 -2.672741982e+00 4.38 -1.562173985e+00 -2.285534838e+00 -2.624915619e+00 4.40 -1.529614632e+00 -2.242966485e+00 -2.577408530e+00 4.42 -1.497608449e+00 -2.201092925e+00 -2.530164205e+00 4.44 -1.466149981e+00 -2.159874618e+00 -2.483143578e+00 4.46 -1.435235439e+00 -2.119284411e+00 -2.436150370e+00 4.48 -1.404862165e+00 -2.079304720e+00 -2.389488764e+00 4.50 -1.375028140e+00 -2.039925034e+00 -2.342963750e+00 4.52 -1.345731549e+00 -2.001139801e+00 -2.296575203e+00 4.54 -1.316970421e+00 -1.962946689e+00 -2.250338684e+00 4.56 -1.288742359e+00 -1.925345223e+00 -2.204288723e+00 4.58 -1.261044349e+00 -1.888335772e+00 -2.158481679e+00 4.60 -1.233872638e+00 -1.851918837e+00 -2.112997130e+00 4.62 -1.207222666e+00 -1.816094566e+00 -2.067936815e+00 4.64 -1.181089041e+00 -1.780862463e+00 -2.023420453e+00 4.66 -1.155465536e+00 -1.746221223e+00 -1.979578383e+00 4.68 -1.130345097e+00 -1.712168681e+00 -1.936541833e+00 4.70 -1.105719867e+00 -1.678701857e+00 -1.894432261e+00 4.72 -1.081581188e+00 -1.645733012e+00 -1.853351674e+00 4.74 -1.057919604e+00 -1.613440928e+00 -1.813375554e+00 4.76 -1.034724854e+00 -1.581717852e+00 -1.774549375e+00 4.78 -1.011985831e+00 -1.550558550e+00 -1.736888827e+00 4.80 -9.896905367e-01 -1.519957164e+00 -1.700383091e+00 4.82 -9.678260090e-01 -1.489907308e+00 -1.665000098e+00 4.84 -9.463782232e-01 -1.460402153e+00 -1.630692570e+00 4.86 -9.253319772e-01 -1.431434488e+00 -1.597403873e+00 4.88 -9.046707450e-01 -1.402996775e+00 -1.565073042e+00 4.90 -8.843765205e-01 -1.375081197e+00 -1.533638690e+00 4.92 -8.644296297e-01 -1.347679679e+00 -1.503041767e+00 4.94 -8.448085383e-01 -1.320783918e+00 -1.473227287e+00 4.96 -8.254896529e-01 -1.294385382e+00 -1.444145244e+00 4.98 -8.064471180e-01 -1.268475319e+00 -1.415750916e+00 5.00 -7.876526565e-01 -1.243044742e+00 -1.388004778e+00 5.02 -7.690754328e-01 -1.218084413e+00 -1.360872153e+00 5.04 -7.506820212e-01 -1.193584814e+00 -1.334322743e+00 5.06 -7.324364815e-01 -1.169536114e+00 -1.308330107e+00 5.08 -7.143006207e-01 -1.145928116e+00 -1.282871135e+00 5.10 -6.962345022e-01 -1.122750206e+00 -1.257925558e+00 5.12 -6.781972630e-01 -1.099991283e+00 -1.233475508e+00 5.14 -6.601483443e-01 -1.077639685e+00 -1.209505125e+00 5.16 -6.420491579e-01 -1.055683097e+00 -1.186000228e+00 5.18 -6.238653011e-01 -1.034108458e+00 -1.162948031e+00 5.20 -6.055691974e-01 -1.012901849e+00 -1.140336901e+00 5.22 -5.871432429e-01 -9.920483819e-01 -1.118156165e+00 5.24 -5.685830461e-01 -9.715320732e-01 -1.096395944e+00 5.26 -5.499006541e-01 -9.513357291e-01 -1.075047021e+00 5.28 -5.311271645e-01 -9.314408197e-01 -1.054100730e+00 5.30 -5.123142064e-01 -9.118273856e-01 -1.033548862e+00 5.32 -4.935339194e-01 -8.924739522e-01 -1.013383598e+00 5.34 -4.748766993e-01 -8.733575054e-01 -9.935974429e-01 5.36 -4.564469926e-01 -8.544535139e-01 -9.741831783e-01 5.38 -4.383569064e-01 -8.357360599e-01 -9.551338209e-01 5.40 -4.207186776e-01 -8.171780810e-01 -9.364425893e-01 5.42 -4.036365299e-01 -7.987517807e-01 -9.181028764e-01 5.44 -3.871993636e-01 -7.804292413e-01 -9.001110300e-01 5.46 -3.714748349e-01 -7.621832643e-01 -8.824116335e-01 5.48 -3.565058538e-01 -7.439885072e-01 -8.650949136e-01 5.50 -3.423094407e-01 -7.258228534e-01 -8.481034430e-01 5.52 -3.288778520e-01 -7.076691138e-01 -8.314313709e-01 5.54 -3.161815909e-01 -6.895168323e-01 -8.150728774e-01 5.56 -3.041734367e-01 -6.713642877e-01 -7.990221651e-01 5.58 -2.927931433e-01 -6.532202478e-01 -7.832734508e-01 5.60 -2.819719745e-01 -6.351055363e-01 -7.678209541e-01 5.62 -2.716369925e-01 -6.170538040e-01 -7.526588863e-01 5.64 -2.617147256e-01 -5.991115657e-01 -7.377814352e-01 5.66 -2.521343062e-01 -5.813369819e-01 -7.231827496e-01 5.68 -2.428300010e-01 -5.637975558e-01 -7.088569202e-01 5.70 -2.337433563e-01 -5.465666695e-01 -6.947979586e-01 5.72 -2.248248863e-01 -5.297193023e-01 -6.809997724e-01 5.74 -2.160355110e-01 -5.133274458e-01 -6.674561371e-01 5.76 -2.073476319e-01 -4.974555686e-01 -6.541606646e-01 5.78 -1.987458377e-01 -4.821569396e-01 -6.411067673e-01 5.80 -1.902271994e-01 -4.674708500e-01 -6.282876156e-01 5.82 -1.818008896e-01 -4.534213502e-01 -6.156960930e-01 5.84 -1.734872561e-01 -4.400170974e-01 -6.033247445e-01 5.86 -1.653160379e-01 -4.272525022e-01 -5.911657154e-01 5.88 -1.573236121e-01 -4.151095606e-01 -5.792106876e-01 5.90 -1.495507124e-01 -4.035602678e-01 -5.674508081e-01 5.92 -1.420390889e-01 -3.925691114e-01 -5.558766062e-01 5.94 -1.348281425e-01 -3.820954917e-01 -5.444779040e-01 5.96 -1.279520197e-01 -3.720958414e-01 -5.332437232e-01 5.98 -1.214370770e-01 -3.625253374e-01 -5.221621795e-01 6.00 -1.152979050e-01 -3.533392306e-01 -5.112203659e-01