# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Fraile-A-Cuesta-Lopez-S-Caro-A-et-al--Pb-Li # implementation = 2014--Fraile-A--Pb-Li--LAMMPS--ipr1 # composition = Li # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 1.554869479e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.402975304e+03 nan 0.84 nan nan nan nan nan nan nan nan 1.263689075e+03 nan 0.86 nan nan nan nan nan 9.989717655e+02 nan nan 1.137104714e+03 nan 0.88 nan nan nan nan nan 9.065929853e+02 nan nan 1.027544917e+03 nan 0.90 nan nan nan nan nan 8.209577365e+02 nan nan 9.294716230e+02 nan 0.92 nan nan nan nan nan 7.438719119e+02 nan nan 8.413362548e+02 nan 0.94 nan nan nan nan nan 6.773928303e+02 nan nan 7.596029530e+02 nan 0.96 nan nan nan nan nan 6.161881665e+02 nan nan 6.873074673e+02 nan 0.98 nan nan nan 1.554565656e+03 1.552134369e+03 5.601675093e+02 nan nan 6.224066071e+02 9.566255820e+02 1.00 nan 8.351987250e+02 nan 1.422009220e+03 1.420690387e+03 5.091803836e+02 8.761947186e+02 nan 5.648603807e+02 8.701158672e+02 1.02 nan 7.580741671e+02 nan 1.298169916e+03 1.298703633e+03 4.647416108e+02 7.974253309e+02 nan 5.123316821e+02 7.873648866e+02 1.04 nan 6.897629806e+02 nan 1.188566178e+03 1.189754422e+03 4.239736894e+02 7.233496380e+02 nan 4.644051734e+02 7.166505510e+02 1.06 nan 6.286565274e+02 nan 1.090957974e+03 1.091833398e+03 3.872618112e+02 6.566891457e+02 nan 4.229262276e+02 6.556161523e+02 1.08 nan 5.730125289e+02 nan 1.001159746e+03 1.001987168e+03 3.538689293e+02 5.972619081e+02 nan 3.850685274e+02 5.991798892e+02 1.10 nan 5.223435950e+02 nan 9.194603463e+02 9.201560872e+02 3.235859153e+02 5.426556850e+02 8.353687796e+02 3.508649288e+02 5.483405302e+02 1.12 8.424975333e+02 4.756879564e+02 7.376557240e+02 8.435448002e+02 8.445590627e+02 2.960636528e+02 4.968716541e+02 7.643478041e+02 3.198059588e+02 5.010219819e+02 1.14 7.712729625e+02 4.325273211e+02 6.744832286e+02 7.729400069e+02 7.745684306e+02 2.709491123e+02 4.543372367e+02 7.010228903e+02 2.914241477e+02 4.572060589e+02 1.16 7.077461290e+02 3.940776463e+02 6.162700166e+02 7.091305444e+02 7.104994441e+02 2.472381643e+02 4.153713957e+02 6.431068219e+02 2.653387197e+02 4.180371533e+02 1.18 6.513992041e+02 3.595738256e+02 5.616670788e+02 6.513861445e+02 6.513635746e+02 2.242944015e+02 3.794034349e+02 5.910249754e+02 2.411895700e+02 3.832264140e+02 1.20 5.991078608e+02 3.266819843e+02 5.097566513e+02 5.976205963e+02 5.961588763e+02 2.026198095e+02 3.468226966e+02 5.431488589e+02 2.196241361e+02 3.510400880e+02 1.22 5.516467117e+02 2.953741961e+02 4.688037730e+02 5.502872852e+02 5.489660926e+02 1.859694292e+02 3.178489679e+02 4.992342288e+02 2.003158090e+02 3.218200850e+02 1.24 5.080233257e+02 2.680674161e+02 4.312126874e+02 5.068500752e+02 5.057019647e+02 1.707809319e+02 2.910704851e+02 4.582111508e+02 1.825786677e+02 2.951338085e+02 1.26 4.677271319e+02 2.442143851e+02 3.962187352e+02 4.666397319e+02 4.655478867e+02 1.566422438e+02 2.666665390e+02 4.191233660e+02 1.661873686e+02 2.706359643e+02 1.28 4.293912231e+02 2.218364862e+02 3.648573515e+02 4.286931892e+02 4.279954155e+02 1.440978553e+02 2.443848252e+02 3.822512169e+02 1.511669166e+02 2.477412038e+02 1.30 3.921168814e+02 2.028759593e+02 3.356850242e+02 3.919816514e+02 3.918132404e+02 1.324824484e+02 2.239611358e+02 3.484684102e+02 1.382542988e+02 2.261102467e+02 1.32 3.556107178e+02 1.851673147e+02 3.089416835e+02 3.562572767e+02 3.568609548e+02 1.218672662e+02 2.052439913e+02 3.182362556e+02 1.264356314e+02 2.055594136e+02 1.34 3.260259606e+02 1.691787421e+02 2.842306830e+02 3.268419719e+02 3.276358078e+02 1.119875241e+02 1.880084702e+02 2.936526788e+02 1.155357654e+02 1.880399453e+02 1.36 3.016877419e+02 1.549580084e+02 2.608009731e+02 3.022271939e+02 3.027639807e+02 1.022246882e+02 1.719302370e+02 2.704838880e+02 1.053519604e+02 1.729562870e+02 1.38 2.778260690e+02 1.417419147e+02 2.383052511e+02 2.782041305e+02 2.786070699e+02 9.233593151e+01 1.568692710e+02 2.490532772e+02 9.559412586e+01 1.586392896e+02 1.40 2.564233262e+02 1.296736635e+02 2.166659689e+02 2.565055612e+02 2.566154030e+02 8.227834701e+01 1.429196161e+02 2.297288427e+02 8.609814552e+01 1.456923415e+02 1.42 2.368889253e+02 1.186118026e+02 1.985495282e+02 2.368346791e+02 2.368001242e+02 7.481967095e+01 1.309436914e+02 2.116980022e+02 7.816532582e+01 1.338587298e+02 1.44 2.185972829e+02 1.084596806e+02 1.833960912e+02 2.185822087e+02 2.185817659e+02 6.947631048e+01 1.202008732e+02 1.950698681e+02 7.181890750e+01 1.229145912e+02 1.46 2.017666779e+02 9.914336136e+01 1.686821002e+02 2.017198682e+02 2.016878464e+02 6.380899652e+01 1.101937511e+02 1.797389140e+02 6.567611255e+01 1.128928954e+02 1.48 1.862268339e+02 9.060163469e+01 1.552644051e+02 1.861810242e+02 1.861430604e+02 5.873809895e+01 1.010939949e+02 1.654667749e+02 5.980895427e+01 1.037192592e+02 1.50 1.718307501e+02 8.276603894e+01 1.431434714e+02 1.718365417e+02 1.718232123e+02 5.429571121e+01 9.263243583e+01 1.521912637e+02 5.420862726e+01 9.532845668e+01 1.52 1.585781544e+02 7.560372475e+01 1.317824948e+02 1.585883741e+02 1.585791146e+02 5.000951846e+01 8.438603001e+01 1.397904349e+02 4.851367708e+01 8.763432812e+01 1.54 1.462969605e+02 6.904550657e+01 1.213251246e+02 1.463303275e+02 1.463296171e+02 4.606778601e+01 7.632775705e+01 1.285112898e+02 4.334034433e+01 8.051048825e+01 1.56 1.347914077e+02 6.302972348e+01 1.117061895e+02 1.348093306e+02 1.348164755e+02 4.245865683e+01 6.833283575e+01 1.182884980e+02 3.974734735e+01 7.359921848e+01 1.58 1.237872990e+02 5.750064578e+01 1.027690575e+02 1.238167344e+02 1.238363372e+02 3.908506400e+01 6.177690348e+01 1.085785832e+02 3.655903690e+01 6.652839042e+01 1.60 1.132173611e+02 5.245281856e+01 9.456851423e+01 1.132515056e+02 1.132797992e+02 3.598408143e+01 5.687915955e+01 9.929774874e+01 3.336425474e+01 5.920307958e+01 1.62 1.032654899e+02 4.783180569e+01 8.700422732e+01 1.032926142e+02 1.033240908e+02 3.311975245e+01 5.216772248e+01 9.067059372e+01 3.054350565e+01 5.208240054e+01 1.64 9.491843252e+01 4.359732620e+01 8.003365462e+01 9.494431340e+01 9.497372272e+01 3.047234965e+01 4.767379136e+01 8.327931666e+01 2.801682189e+01 4.723392618e+01 1.66 8.778684648e+01 3.970031831e+01 7.360958083e+01 8.778717182e+01 8.780466712e+01 2.803174250e+01 4.376303322e+01 7.681832915e+01 2.562512522e+01 4.390867274e+01 1.68 8.085067104e+01 3.614006975e+01 6.767269900e+01 8.086653734e+01 8.088361559e+01 2.577316226e+01 4.020265932e+01 7.064003829e+01 2.342775395e+01 4.024265693e+01 1.70 7.445184002e+01 3.289989400e+01 6.217869622e+01 7.445265293e+01 7.446147407e+01 2.367842213e+01 3.687273691e+01 6.494302048e+01 2.142525930e+01 3.683033653e+01 1.72 6.867488762e+01 2.995235677e+01 5.710446775e+01 6.866901762e+01 6.867279223e+01 2.173773663e+01 3.381219933e+01 5.977922787e+01 1.958726956e+01 3.396445509e+01 1.74 6.334177400e+01 2.728271435e+01 5.244102609e+01 6.332681421e+01 6.332447378e+01 1.995300568e+01 3.100036571e+01 5.500922852e+01 1.789427784e+01 3.127959079e+01 1.76 5.835723272e+01 2.482894211e+01 4.814292089e+01 5.833207338e+01 5.832404023e+01 1.830114854e+01 2.830644338e+01 5.057426938e+01 1.633467560e+01 2.870948054e+01 1.78 5.376135822e+01 2.253604888e+01 4.415719745e+01 5.372678223e+01 5.371221658e+01 1.675270769e+01 2.564378761e+01 4.647726477e+01 1.486487800e+01 2.635272270e+01 1.80 4.951698203e+01 2.028353068e+01 4.051501493e+01 4.948403486e+01 4.946417351e+01 1.533777922e+01 2.302549423e+01 4.269623522e+01 1.340535380e+01 2.419819079e+01 1.82 4.553874601e+01 1.795570818e+01 3.716365176e+01 4.553666166e+01 4.551864667e+01 1.402599481e+01 2.033351292e+01 3.920010032e+01 1.192786877e+01 2.217599394e+01 1.84 4.190305577e+01 1.556622825e+01 3.411165640e+01 4.190104617e+01 4.187948450e+01 1.282029522e+01 1.794159538e+01 3.598164834e+01 1.038590939e+01 2.031855090e+01 1.86 3.854091159e+01 1.302565487e+01 3.129002461e+01 3.853558306e+01 3.851401829e+01 1.170657971e+01 1.634647005e+01 3.299795098e+01 8.897393387e+00 1.860536764e+01 1.88 3.541789786e+01 1.093187681e+01 2.868436536e+01 3.542313431e+01 3.540845895e+01 1.068169648e+01 1.503033563e+01 3.025072644e+01 7.815379679e+00 1.701797570e+01 1.90 3.253834626e+01 9.876758518e+00 2.618439625e+01 3.254418404e+01 3.253164690e+01 9.726104272e+00 1.360893307e+01 2.771230475e+01 7.116288833e+00 1.555463127e+01 1.92 2.987370033e+01 9.096711086e+00 2.364770948e+01 2.986954091e+01 2.985798083e+01 8.836318829e+00 1.230515196e+01 2.535186019e+01 6.443126141e+00 1.420293721e+01 1.94 2.739970764e+01 8.092639699e+00 2.111779951e+01 2.739693417e+01 2.739283499e+01 8.027296647e+00 1.120094518e+01 2.317842635e+01 5.738107629e+00 1.294835035e+01 1.96 2.510435198e+01 7.088482419e+00 1.845198405e+01 2.510969364e+01 2.511402253e+01 7.279989687e+00 1.020130406e+01 2.117312527e+01 5.123316233e+00 1.177388727e+01 1.98 2.299170475e+01 6.122556406e+00 1.585397183e+01 2.299942368e+01 2.300936388e+01 6.587055115e+00 9.245478620e+00 1.932863531e+01 4.604348006e+00 1.070099593e+01 2.00 2.104291889e+01 5.056218560e+00 1.391795712e+01 2.105155498e+01 2.106639143e+01 5.945482399e+00 8.365837504e+00 1.763546864e+01 4.116083719e+00 9.717260477e+00 2.02 1.923440477e+01 3.737577693e+00 1.274012798e+01 1.924438488e+01 1.926344713e+01 5.350189426e+00 7.565108454e+00 1.607725874e+01 3.644655628e+00 8.805496903e+00 2.04 1.756968088e+01 2.295200574e+00 1.171852497e+01 1.757278447e+01 1.759307996e+01 4.803991966e+00 6.821211669e+00 1.465713172e+01 3.211317250e+00 7.963956622e+00 2.06 1.602935193e+01 1.233619253e+00 1.054964249e+01 1.603860641e+01 1.605914777e+01 4.302490320e+00 6.119287602e+00 1.337932178e+01 2.821903532e+00 7.180015160e+00 2.08 1.463789903e+01 9.797394801e-01 9.488153140e+00 1.464605900e+01 1.466296206e+01 3.845206856e+00 5.429927292e+00 1.220568805e+01 2.461699542e+00 6.479202564e+00 2.10 1.335631911e+01 9.415206586e-01 8.638251205e+00 1.335922860e+01 1.336813731e+01 3.427450808e+00 4.727213903e+00 1.113668980e+01 2.136839781e+00 5.835065096e+00 2.12 1.223521931e+01 6.571681553e-01 7.916707419e+00 1.223623092e+01 1.224154910e+01 3.062895268e+00 4.041845792e+00 1.010006978e+01 1.852673948e+00 5.274035718e+00 2.14 1.120403697e+01 3.607201927e-01 7.195857683e+00 1.120097955e+01 1.120238950e+01 2.723010357e+00 3.296755432e+00 8.969478589e+00 1.589503323e+00 4.753280617e+00 2.16 1.024525552e+01 1.801206782e-01 6.516101096e+00 1.024465748e+01 1.024378015e+01 2.410981700e+00 2.615129698e+00 7.656734296e+00 1.349032504e+00 4.271391484e+00 2.18 9.283338600e+00 6.437699442e-02 5.842740744e+00 9.293762983e+00 9.295029857e+00 2.092378861e+00 2.132300212e+00 6.210801327e+00 1.108394494e+00 3.778884526e+00 2.20 8.224805834e+00 -7.517289114e-02 5.115597809e+00 8.234382241e+00 8.233325826e+00 1.744882575e+00 1.781943832e+00 4.376612618e+00 8.439123395e-01 3.246488777e+00 2.22 6.860975477e+00 -2.861275801e-01 4.178403549e+00 6.869306537e+00 6.865902205e+00 1.291530731e+00 1.343853256e+00 2.526751832e+00 5.027165042e-01 2.560906554e+00 2.24 5.282254757e+00 -5.248379166e-01 3.105230115e+00 5.289696226e+00 5.285118295e+00 7.713244362e-01 7.606531001e-01 1.261309124e+00 1.094316392e-01 1.771006504e+00 2.26 3.305472499e+00 -7.949981111e-01 1.767604419e+00 3.303430403e+00 3.296994170e+00 1.185232793e-01 5.130676211e-02 6.038846534e-01 -3.864157484e-01 7.797889617e-01 2.28 1.154134685e+00 -1.087244728e+00 3.171973081e-01 1.149940551e+00 1.142972554e+00 -5.946755879e-01 -6.805601073e-01 5.603462323e-02 -9.213438422e-01 -2.997630116e-01 2.30 -5.637393295e-01 -1.337807671e+00 -8.572039001e-01 -5.687841464e-01 -5.745941245e-01 -1.176367035e+00 -1.256803757e+00 -6.885141244e-01 -1.347262113e+00 -1.166162221e+00 2.32 -8.066057365e-01 -1.397169741e+00 -1.033762571e+00 -8.130754410e-01 -8.197705859e-01 -1.255415898e+00 -1.343225906e+00 -9.544127094e-01 -1.404550251e+00 -1.288214113e+00 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