# 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 = Nb3Ti # 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 3.466728255e+02 nan nan 1.14 3.206888298e+02 nan nan 1.16 2.967294691e+02 nan nan 1.18 2.746125918e+02 nan nan 1.20 2.541696034e+02 nan nan 1.22 2.352525279e+02 nan nan 1.24 2.177339508e+02 nan nan 1.26 2.014991373e+02 3.017169209e+02 nan 1.28 1.864427607e+02 2.809452334e+02 3.185503339e+02 1.30 1.724701494e+02 2.616364856e+02 2.972211700e+02 1.32 1.594966725e+02 2.436776195e+02 2.773678532e+02 1.34 1.474466356e+02 2.269626373e+02 2.588671502e+02 1.36 1.362519953e+02 2.113942309e+02 2.416097213e+02 1.38 1.258506807e+02 1.968858495e+02 2.254985784e+02 1.40 1.161856225e+02 1.833590699e+02 2.104484542e+02 1.42 1.072033515e+02 1.707384376e+02 1.963849403e+02 1.44 9.885225421e+01 1.589508074e+02 1.832400623e+02 1.46 9.108255048e+01 1.479296640e+02 1.709487941e+02 1.48 8.384744224e+01 1.376175680e+02 1.594498810e+02 1.50 7.710368193e+01 1.279642822e+02 1.486869855e+02 1.52 7.081144065e+01 1.189235941e+02 1.386075374e+02 1.54 6.493464535e+01 1.104518603e+02 1.291618542e+02 1.56 5.944175890e+01 1.025086774e+02 1.203042133e+02 1.58 5.430604701e+01 9.505802215e+01 1.119940679e+02 1.60 4.952395485e+01 8.806859098e+01 1.041954895e+02 1.62 4.508573724e+01 8.151310844e+01 9.687534845e+01 1.64 4.096930062e+01 7.536685651e+01 9.000208658e+01 1.66 3.715416230e+01 6.960612746e+01 8.354579992e+01 1.68 3.362126209e+01 6.420741685e+01 7.747894296e+01 1.70 3.035234934e+01 5.914759418e+01 7.177671443e+01 1.72 2.732965679e+01 5.440492426e+01 6.641652940e+01 1.74 2.453591534e+01 4.997216581e+01 6.137691186e+01 1.76 2.195459941e+01 4.584111333e+01 5.663688718e+01 1.78 1.957016821e+01 4.199269467e+01 5.218033156e+01 1.80 1.736817617e+01 3.840808878e+01 4.800912550e+01 1.82 1.533516008e+01 3.506959746e+01 4.410801815e+01 1.84 1.345835894e+01 3.196041839e+01 4.046095548e+01 1.86 1.172565538e+01 2.906478389e+01 3.705386923e+01 1.88 1.012591747e+01 2.636823208e+01 3.387372563e+01 1.90 8.649345088e+00 2.385777029e+01 3.090777317e+01 1.92 7.287427690e+00 2.152183667e+01 2.814317261e+01 1.94 6.032629223e+00 1.935001458e+01 2.556697393e+01 1.96 4.878076879e+00 1.733260361e+01 2.316643841e+01 1.98 3.817353664e+00 1.546023394e+01 2.092950528e+01 2.00 2.844346817e+00 1.372363073e+01 1.884507966e+01 2.02 1.953113162e+00 1.211353787e+01 1.690304856e+01 2.04 1.137770933e+00 1.062077299e+01 1.509415391e+01 2.06 3.924474372e-01 9.236383031e+00 1.340985587e+01 2.08 -2.887070367e-01 7.951863668e+00 1.184224745e+01 2.10 -9.114499216e-01 6.759357408e+00 1.038402170e+01 2.12 -1.481338475e+00 5.651734723e+00 9.028436556e+00 2.14 -2.003606584e+00 4.622541832e+00 7.769227706e+00 2.16 -2.483032500e+00 3.665921723e+00 6.600481309e+00 2.18 -2.923808007e+00 2.776618849e+00 5.516516642e+00 2.20 -3.329449986e+00 1.950063477e+00 4.511810388e+00 2.22 -3.702829475e+00 1.182401331e+00 3.580962530e+00 2.24 -4.046337477e+00 4.703821929e-01 2.718695782e+00 2.26 -4.362103608e+00 -1.888462841e-01 1.919884342e+00 2.28 -4.652135752e+00 -7.979416600e-01 1.179607189e+00 2.30 -4.918317559e+00 -1.359518205e+00 4.932052555e-01 2.32 -5.162323094e+00 -1.876251088e+00 -1.436519915e-01 2.34 -5.385557933e+00 -2.350944367e+00 -7.348842269e-01 2.36 -5.589190675e+00 -2.786558576e+00 -1.283922625e+00 2.38 -5.774228997e+00 -3.186182774e+00 -1.793684981e+00 2.40 -5.941594067e+00 -3.552942631e+00 -2.266630975e+00 2.42 -6.092159850e+00 -3.889871852e+00 -2.704870980e+00 2.44 -6.226761807e+00 -4.199779377e+00 -3.110284006e+00 2.46 -6.346188686e+00 -4.485142890e+00 -3.484615013e+00 2.48 -6.451168295e+00 -4.748048801e+00 -3.829531640e+00 2.50 -6.542356320e+00 -4.990194795e+00 -4.146643178e+00 2.52 -6.620362700e+00 -5.212948863e+00 -4.437483828e+00 2.54 -6.685805341e+00 -5.417437381e+00 -4.703484845e+00 2.56 -6.738445294e+00 -5.604629764e+00 -4.945960257e+00 2.58 -6.778629342e+00 -5.775403651e+00 -5.166117813e+00 2.60 -6.806864735e+00 -5.930588964e+00 -5.365091223e+00 2.62 -6.823722571e+00 -6.070990110e+00 -5.543977537e+00 2.64 -6.829857169e+00 -6.197393114e+00 -5.703877785e+00 2.66 -6.826030121e+00 -6.310556240e+00 -5.845935285e+00 2.68 -6.813102931e+00 -6.411192193e+00 -5.971372096e+00 2.70 -6.791924104e+00 -6.499953561e+00 -6.081515549e+00 2.72 -6.763149411e+00 -6.577430713e+00 -6.177799901e+00 2.74 -6.727169258e+00 -6.644259157e+00 -6.261727775e+00 2.76 -6.684093335e+00 -6.701009436e+00 -6.334790990e+00 2.78 -6.633982794e+00 -6.748148334e+00 -6.398372841e+00 2.80 -6.576873063e+00 -6.785541760e+00 -6.453669605e+00 2.82 -6.512789201e+00 -6.813536656e+00 -6.501785370e+00 2.84 -6.441752079e+00 -6.832674646e+00 -6.543598300e+00 2.86 -6.363777153e+00 -6.843486282e+00 -6.579128962e+00 2.88 -6.278874876e+00 -6.846472646e+00 -6.608572823e+00 2.90 -6.187044468e+00 -6.842078882e+00 -6.632294751e+00 2.92 -6.088281022e+00 -6.830716310e+00 -6.650583944e+00 2.94 -5.982584364e+00 -6.812679844e+00 -6.663674593e+00 2.96 -5.869976546e+00 -6.788140658e+00 -6.671735589e+00 2.98 -5.750527607e+00 -6.757356345e+00 -6.674910808e+00 3.00 -5.624387532e+00 -6.720350665e+00 -6.673339482e+00 3.02 -5.491821735e+00 -6.677067112e+00 -6.667041403e+00 3.04 -5.353241645e+00 -6.627456915e+00 -6.656060262e+00 3.06 -5.209224878e+00 -6.571475175e+00 -6.640503934e+00 3.08 -5.060518196e+00 -6.509078018e+00 -6.620304971e+00 3.10 -4.908022699e+00 -6.440221842e+00 -6.595408110e+00 3.12 -4.752763829e+00 -6.364882431e+00 -6.565754585e+00 3.14 -4.595847840e+00 -6.283086926e+00 -6.531275126e+00 3.16 -4.438408556e+00 -6.194953702e+00 -6.491894626e+00 3.18 -4.281545309e+00 -6.100721794e+00 -6.447544123e+00 3.20 -4.126260305e+00 -6.000755493e+00 -6.398172037e+00 3.22 -3.973401080e+00 -5.895519701e+00 -6.343753571e+00 3.24 -3.823621590e+00 -5.785540172e+00 -6.284294805e+00 3.26 -3.677365001e+00 -5.671367164e+00 -6.219832382e+00 3.28 -3.534875803e+00 -5.553557724e+00 -6.150429354e+00 3.30 -3.396235780e+00 -5.432675502e+00 -6.076168570e+00 3.32 -3.261419109e+00 -5.309298625e+00 -5.997144689e+00 3.34 -3.130353978e+00 -5.184022457e+00 -5.913455771e+00 3.36 -3.002977488e+00 -5.057451221e+00 -5.825196188e+00 3.38 -2.879270035e+00 -4.930176718e+00 -5.732452513e+00 3.40 -2.759269552e+00 -4.802749970e+00 -5.635304118e+00 3.42 -2.643053349e+00 -4.675651987e+00 -5.533829963e+00 3.44 -2.530719038e+00 -4.549267619e+00 -5.428121883e+00 3.46 -2.422363018e+00 -4.423869277e+00 -5.318301556e+00 3.48 -2.318068013e+00 -4.299609175e+00 -5.204540235e+00 3.50 -2.217898837e+00 -4.176522605e+00 -5.087062964e+00 3.52 -2.121898569e+00 -4.054538325e+00 -4.966143630e+00 3.54 -2.030079874e+00 -3.933495958e+00 -4.842077765e+00 3.56 -1.942412522e+00 -3.813167057e+00 -4.715143187e+00 3.58 -1.858809765e+00 -3.693279182e+00 -4.585561073e+00 3.60 -1.779122736e+00 -3.573541721e+00 -4.453471856e+00 3.62 -1.703143877e+00 -3.453672922e+00 -4.318934575e+00 3.64 -1.630620979e+00 -3.333428304e+00 -4.181949362e+00 3.66 -1.561277141e+00 -3.212628801e+00 -4.042495578e+00 3.68 -1.494832079e+00 -3.091187197e+00 -3.900575648e+00 3.70 -1.431021834e+00 -2.969129470e+00 -3.756257281e+00 3.72 -1.369614072e+00 -2.846608368e+00 -3.609709371e+00 3.74 -1.310418570e+00 -2.723904600e+00 -3.461227786e+00 3.76 -1.253292828e+00 -2.601416409e+00 -3.311250774e+00 3.78 -1.198143159e+00 -2.479639312e+00 -3.160363596e+00 3.80 -1.144922150e+00 -2.359140324e+00 -3.009291126e+00 3.82 -1.093622534e+00 -2.240530414e+00 -2.858878330e+00 3.84 -1.044266459e+00 -2.124438743e+00 -2.710060063e+00 3.86 -9.968994313e-01 -2.011488252e+00 -2.563821497e+00 3.88 -9.515817516e-01 -1.902274223e+00 -2.421154308e+00 3.90 -9.083713074e-01 -1.797340050e+00 -2.283006940e+00 3.92 -8.673158907e-01 -1.697157779e+00 -2.150240797e+00 3.94 -8.284460153e-01 -1.602110299e+00 -2.023591885e+00 3.96 -7.917699114e-01 -1.512478633e+00 -1.903642627e+00 3.98 -7.572708738e-01 -1.428434720e+00 -1.790804683e+00 4.00 -7.249068936e-01 -1.350041307e+00 -1.685314458e+00 4.02 -6.946125335e-01 -1.277258689e+00 -1.587240475e+00 4.04 -6.663020427e-01 -1.209954475e+00 -1.496498914e+00 4.06 -6.398734150e-01 -1.147923200e+00 -1.412875195e+00 4.08 -6.152130171e-01 -1.090896035e+00 -1.336050044e+00 4.10 -5.922000816e-01 -1.038562751e+00 -1.265626062e+00 4.12 -5.707108099e-01 -9.905862981e-01 -1.201153195e+00 4.14 -5.506218998e-01 -9.466169374e-01 -1.142152101e+00 4.16 -5.318134177e-01 -9.063040515e-01 -1.088134511e+00 4.18 -5.141709446e-01 -8.693054488e-01 -1.038620312e+00 4.20 -4.975870781e-01 -8.352943188e-01 -9.931512603e-01 4.22 -4.819623174e-01 -8.039638664e-01 -9.513014355e-01 4.24 -4.672055237e-01 -7.750277118e-01 -9.126847180e-01 4.26 -4.532340166e-01 -7.482272849e-01 -8.769592103e-01 4.28 -4.399727493e-01 -7.233299307e-01 -8.438280641e-01 4.30 -4.273563568e-01 -7.001259128e-01 -8.130372246e-01 4.32 -4.153247885e-01 -6.784278916e-01 -7.843704590e-01 4.34 -4.038254399e-01 -6.580696377e-01 -7.576421962e-01 4.36 -3.928117784e-01 -6.389043977e-01 -7.326895781e-01 4.38 -3.822427456e-01 -6.208032196e-01 -7.093635966e-01 4.40 -3.720821645e-01 -6.036532009e-01 -6.875259462e-01 4.42 -3.622981586e-01 -5.873556653e-01 -6.670489950e-01 4.44 -3.528626491e-01 -5.718245312e-01 -6.478094961e-01 4.46 -3.437505591e-01 -5.569848329e-01 -6.296881129e-01 4.48 -3.349406660e-01 -5.427712720e-01 -6.125758586e-01 4.50 -3.264132546e-01 -5.291269528e-01 -5.963679322e-01 4.52 -3.181511548e-01 -5.160022985e-01 -5.809701335e-01 4.54 -3.101390847e-01 -5.033540473e-01 -5.662979814e-01 4.56 -3.023633876e-01 -4.911443591e-01 -5.522766760e-01 4.58 -2.948118103e-01 -4.793400679e-01 -5.388406975e-01 4.60 -2.874733094e-01 -4.679120250e-01 -5.259331130e-01 4.62 -2.803378726e-01 -4.568344959e-01 -5.135046873e-01 4.64 -2.733963696e-01 -4.460846576e-01 -5.015129810e-01 4.66 -2.666404229e-01 -4.356421698e-01 -4.899214783e-01 4.68 -2.600622872e-01 -4.254887750e-01 -4.786987413e-01 4.70 -2.536547445e-01 -4.156079580e-01 -4.678176576e-01 4.72 -2.474110116e-01 -4.059841862e-01 -4.572547949e-01 4.74 -2.413246531e-01 -3.966045900e-01 -4.469898295e-01 4.76 -2.353894992e-01 -3.874556481e-01 -4.370050531e-01 4.78 -2.295995699e-01 -3.785251309e-01 -4.272849660e-01 4.80 -2.239490016e-01 -3.698013285e-01 -4.178159350e-01 4.82 -2.184319748e-01 -3.612728627e-01 -4.085858953e-01 4.84 -2.130426320e-01 -3.529285101e-01 -3.995841084e-01 4.86 -2.077749982e-01 -3.447570460e-01 -3.908009628e-01 4.88 -2.026229032e-01 -3.367470845e-01 -3.822278005e-01 4.90 -1.975798894e-01 -3.288869429e-01 -3.738567740e-01 4.92 -1.926391190e-01 -3.211645157e-01 -3.656807293e-01 4.94 -1.877932683e-01 -3.135671819e-01 -3.576931062e-01 4.96 -1.830344150e-01 -3.060817361e-01 -3.498878524e-01 4.98 -1.783539191e-01 -2.986943817e-01 -3.422593534e-01 5.00 -1.737422898e-01 -2.913907820e-01 -3.348023745e-01 5.02 -1.691890578e-01 -2.841562173e-01 -3.275120081e-01 5.04 -1.646826295e-01 -2.769758618e-01 -3.203836307e-01 5.06 -1.602101668e-01 -2.698352098e-01 -3.134128673e-01 5.08 -1.557574577e-01 -2.627206911e-01 -3.065955583e-01 5.10 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-2.060950875e-01 5.46 -5.502493856e-02 -1.424245890e-01 -2.015338742e-01 5.48 -4.927553666e-02 -1.381890541e-01 -1.970563439e-01 5.50 -4.379424951e-02 -1.341805979e-01 -1.926576558e-01 5.52 -3.863802246e-02 -1.303777783e-01 -1.883328766e-01 5.54 -3.385125329e-02 -1.267587840e-01 -1.840766529e-01 5.56 -2.946385759e-02 -1.233021670e-01 -1.798831491e-01 5.58 -2.549087458e-02 -1.199872917e-01 -1.757459778e-01 5.60 -2.193348719e-02 -1.167945884e-01 -1.716581250e-01 5.62 -1.878088627e-02 -1.137056217e-01 -1.676118786e-01 5.64 -1.601289520e-02 -1.107030605e-01 -1.635987544e-01 5.66 -1.360259759e-02 -1.077705485e-01 -1.596094208e-01 5.68 -1.151894720e-02 -1.048925564e-01 -1.556336398e-01 5.70 -9.728969912e-03 -1.020542043e-01 -1.516602239e-01 5.72 -8.199527971e-03 -9.924110226e-02 -1.476770113e-01 5.74 -6.898643018e-03 -9.643920902e-02 -1.436708817e-01 5.76 -5.796363271e-03 -9.363474697e-02 -1.396278294e-01 5.78 -4.865295443e-03 -9.081416505e-02 -1.355330997e-01 5.80 -4.080853706e-03 -8.796418135e-02 -1.313714161e-01 5.82 -3.421288461e-03 -8.507191188e-02 -1.271273221e-01 5.84 -2.867607506e-03 -8.212510478e-02 -1.227856556e-01 5.86 -2.403369006e-03 -7.911248892e-02 -1.183321811e-01 5.88 -2.014469539e-03 -7.602423612e-02 -1.137543722e-01 5.90 -1.688874518e-03 -7.285198514e-02 -1.090415262e-01 5.92 -1.416378130e-03 -6.958978491e-02 -1.041862404e-01 5.94 -1.188355968e-03 -6.623604384e-02 -9.918739182e-02 5.96 -9.975459493e-04 -6.279337334e-02 -9.404994611e-02 5.98 -8.378507018e-04 -5.926923809e-02 -8.878597035e-02 6.00 -7.041578153e-04 -5.567644931e-02 -8.341540330e-02