# 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 = Li3Pb # 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 nan nan nan 0.98 nan nan nan 1.00 7.019644870e+02 nan nan 1.02 6.380133849e+02 nan nan 1.04 5.814162639e+02 nan nan 1.06 5.308685912e+02 nan nan 1.08 4.846992675e+02 nan nan 1.10 4.426969869e+02 6.764928519e+02 nan 1.12 4.040093436e+02 6.205892582e+02 7.072775345e+02 1.14 3.682663866e+02 5.685536792e+02 6.487483394e+02 1.16 3.363160110e+02 5.206161132e+02 5.963777098e+02 1.18 3.074260157e+02 4.757303261e+02 5.497639734e+02 1.20 2.797099827e+02 4.331465607e+02 5.065288735e+02 1.22 2.531053741e+02 3.990606818e+02 4.672369170e+02 1.24 2.302820211e+02 3.677267510e+02 4.310708115e+02 1.26 2.108376780e+02 3.385561121e+02 3.975952749e+02 1.28 1.924221821e+02 3.123124826e+02 3.657962592e+02 1.30 1.765739955e+02 2.879062330e+02 3.350019827e+02 1.32 1.619687684e+02 2.654603824e+02 3.049586049e+02 1.34 1.484745311e+02 2.446942634e+02 2.803016778e+02 1.36 1.362231414e+02 2.250432235e+02 2.597533617e+02 1.38 1.249587870e+02 2.062239091e+02 2.397169862e+02 1.40 1.146146825e+02 1.881464622e+02 2.216776945e+02 1.42 1.051033035e+02 1.728882288e+02 2.051933090e+02 1.44 9.637497133e+01 1.599613953e+02 1.897417307e+02 1.46 8.835064174e+01 1.474772464e+02 1.754960641e+02 1.48 8.095996267e+01 1.360379965e+02 1.623197514e+02 1.50 7.415896226e+01 1.256640281e+02 1.500997491e+02 1.52 6.794026746e+01 1.159520782e+02 1.388054185e+02 1.54 6.222714305e+01 1.069990422e+02 1.283315891e+02 1.56 5.696138651e+01 9.874520127e+01 1.184917406e+02 1.58 5.211773069e+01 9.107653490e+01 1.091436616e+02 1.60 4.768065867e+01 8.402084546e+01 1.001807768e+02 1.62 4.360825176e+01 7.751514022e+01 9.174910683e+01 1.64 3.986183024e+01 7.151950390e+01 8.458468831e+01 1.66 3.640533916e+01 6.599024968e+01 7.838164591e+01 1.68 3.324197250e+01 6.086981189e+01 7.237921902e+01 1.70 3.035451290e+01 5.611626213e+01 6.682099969e+01 1.72 2.772270006e+01 5.171378526e+01 6.178275790e+01 1.74 2.533231999e+01 4.766103026e+01 5.712100148e+01 1.76 2.312280600e+01 4.390734191e+01 5.275881303e+01 1.78 2.104437683e+01 4.042332301e+01 4.871862890e+01 1.80 1.897938862e+01 3.722216960e+01 4.496881736e+01 1.82 1.681329167e+01 3.426214488e+01 4.146534203e+01 1.84 1.456470618e+01 3.154373394e+01 3.824304414e+01 1.86 1.214276943e+01 2.901043090e+01 3.525571831e+01 1.88 1.014935662e+01 2.664651408e+01 3.247682543e+01 1.90 9.173279236e+00 2.437332327e+01 2.991034335e+01 1.92 8.450708392e+00 2.209373085e+01 2.752949798e+01 1.94 7.493696734e+00 1.984417284e+01 2.531633939e+01 1.96 6.565791448e+00 1.751098049e+01 2.325716807e+01 1.98 5.758987641e+00 1.525397114e+01 2.135451061e+01 2.00 4.941599984e+00 1.351429348e+01 1.960825108e+01 2.02 3.994293648e+00 1.236514575e+01 1.797788547e+01 2.04 3.002476211e+00 1.135302059e+01 1.647257687e+01 2.06 2.232518461e+00 1.024750382e+01 1.507751855e+01 2.08 1.887583868e+00 9.237177566e+00 1.380767294e+01 2.10 1.663022871e+00 8.400006224e+00 1.263704615e+01 2.12 1.330457303e+00 7.670313260e+00 1.159534523e+01 2.14 1.012827963e+00 6.951192166e+00 1.062879830e+01 2.16 7.669902379e-01 6.271696040e+00 9.725763104e+00 2.18 5.618695289e-01 5.608562006e+00 8.831074917e+00 2.20 3.506890179e-01 4.915571552e+00 7.872997285e+00 2.22 9.403466441e-02 4.080075354e+00 6.699100664e+00 2.24 -1.791416709e-01 3.161807111e+00 5.380237998e+00 2.26 -4.929940991e-01 2.046146878e+00 3.769915098e+00 2.28 -8.224175450e-01 8.552874063e-01 2.038879929e+00 2.30 -1.100965335e+00 -1.189366819e-01 6.407461982e-01 2.32 -1.192200414e+00 -3.454737755e-01 3.558537222e-01 2.34 -1.242519078e+00 -3.386447875e-01 3.996689107e-01 2.36 -1.312569417e+00 -4.108019837e-01 3.179077004e-01 2.38 -1.422131328e+00 -6.178737955e-01 2.444897914e-02 2.40 -1.535520393e+00 -8.075992467e-01 -2.478940335e-01 2.42 -1.605778743e+00 -8.732791879e-01 -3.453129753e-01 2.44 -1.654304473e+00 -9.095327993e-01 -4.085111829e-01 2.46 -1.699133679e+00 -9.626093542e-01 -5.184616497e-01 2.48 -1.742834716e+00 -1.041909704e+00 -6.563092806e-01 2.50 -1.779264043e+00 -1.127486690e+00 -7.903278753e-01 2.52 -1.804730209e+00 -1.203235113e+00 -8.897052951e-01 2.54 -1.824159541e+00 -1.287408759e+00 -9.763260193e-01 2.56 -1.838490389e+00 -1.375184970e+00 -1.061085420e+00 2.58 -1.848312059e+00 -1.462720378e+00 -1.140667912e+00 2.60 -1.852420080e+00 -1.557004143e+00 -1.216177021e+00 2.62 -1.852848754e+00 -1.629409799e+00 -1.301892503e+00 2.64 -1.849426577e+00 -1.693862145e+00 -1.381211699e+00 2.66 -1.844165629e+00 -1.753238271e+00 -1.457532601e+00 2.68 -1.836285179e+00 -1.815145519e+00 -1.538585362e+00 2.70 -1.826816180e+00 -1.853704970e+00 -1.592538863e+00 2.72 -1.815631753e+00 -1.885612108e+00 -1.641004882e+00 2.74 -1.804726747e+00 -1.911655208e+00 -1.685617612e+00 2.76 -1.794037730e+00 -1.934164711e+00 -1.727964368e+00 2.78 -1.785189891e+00 -1.952129868e+00 -1.765852651e+00 2.80 -1.773973798e+00 -1.965447711e+00 -1.798954099e+00 2.82 -1.763304626e+00 -1.975201593e+00 -1.827894258e+00 2.84 -1.753482626e+00 -1.978673981e+00 -1.854367632e+00 2.86 -1.745824883e+00 -1.977864047e+00 -1.879032014e+00 2.88 -1.737832537e+00 -1.973618215e+00 -1.904792415e+00 2.90 -1.729131439e+00 -1.966421899e+00 -1.930236051e+00 2.92 -1.720818960e+00 -1.955042980e+00 -1.960745179e+00 2.94 -1.708896325e+00 -1.939370032e+00 -1.979307570e+00 2.96 -1.698671460e+00 -1.920949047e+00 -1.995310873e+00 2.98 -1.687541360e+00 -1.900676981e+00 -2.006740740e+00 3.00 -1.673321146e+00 -1.876903341e+00 -2.012315243e+00 3.02 -1.656951977e+00 -1.851570432e+00 -2.015541487e+00 3.04 -1.640075872e+00 -1.823640849e+00 -2.014787778e+00 3.06 -1.621140631e+00 -1.794301261e+00 -2.011689947e+00 3.08 -1.601260890e+00 -1.764198530e+00 -2.005979011e+00 3.10 -1.582043861e+00 -1.733553910e+00 -1.995852382e+00 3.12 -1.562698226e+00 -1.701277624e+00 -1.982169125e+00 3.14 -1.544117425e+00 -1.669656727e+00 -1.965421981e+00 3.16 -1.524520744e+00 -1.638772050e+00 -1.942149409e+00 3.18 -1.509626467e+00 -1.606698704e+00 -1.922676614e+00 3.20 -1.493603516e+00 -1.577826196e+00 -1.903336640e+00 3.22 -1.478662769e+00 -1.551968428e+00 -1.883637618e+00 3.24 -1.463201758e+00 -1.528295461e+00 -1.862635589e+00 3.26 -1.447694002e+00 -1.507779135e+00 -1.844705781e+00 3.28 -1.431377665e+00 -1.489001689e+00 -1.822904932e+00 3.30 -1.414389082e+00 -1.470888670e+00 -1.800054221e+00 3.32 -1.396759426e+00 -1.453845623e+00 -1.775882003e+00 3.34 -1.379036405e+00 -1.438704643e+00 -1.751867313e+00 3.36 -1.361890294e+00 -1.427792211e+00 -1.727221927e+00 3.38 -1.344812117e+00 -1.421645205e+00 -1.701706589e+00 3.40 -1.327993802e+00 -1.419058689e+00 -1.675275708e+00 3.42 -1.311634162e+00 -1.418479599e+00 -1.647987534e+00 3.44 -1.296906484e+00 -1.417186706e+00 -1.619187961e+00 3.46 -1.283218949e+00 -1.415418429e+00 -1.589678060e+00 3.48 -1.269316618e+00 -1.414084536e+00 -1.562720366e+00 3.50 -1.255502334e+00 -1.411927166e+00 -1.536952702e+00 3.52 -1.243626194e+00 -1.408780845e+00 -1.512227184e+00 3.54 -1.232741384e+00 -1.405173842e+00 -1.489922604e+00 3.56 -1.221810671e+00 -1.400059843e+00 -1.467955462e+00 3.58 -1.210897429e+00 -1.393551281e+00 -1.446149975e+00 3.60 -1.200832736e+00 -1.387025000e+00 -1.425387952e+00 3.62 -1.185095876e+00 -1.381291423e+00 -1.406939009e+00 3.64 -1.169586823e+00 -1.375508018e+00 -1.388694491e+00 3.66 -1.157602786e+00 -1.368045013e+00 -1.370713663e+00 3.68 -1.148129792e+00 -1.360107920e+00 -1.353859484e+00 3.70 -1.138172758e+00 -1.352622790e+00 -1.339246861e+00 3.72 -1.127915855e+00 -1.344489963e+00 -1.327781157e+00 3.74 -1.117420368e+00 -1.336551479e+00 -1.318758092e+00 3.76 -1.106588176e+00 -1.329291475e+00 -1.303208540e+00 3.78 -1.095409469e+00 -1.321382144e+00 -1.296794307e+00 3.80 -1.083968425e+00 -1.313136921e+00 -1.290203971e+00 3.82 -1.072322280e+00 -1.304952681e+00 -1.283665072e+00 3.84 -1.060545167e+00 -1.296017549e+00 -1.277264773e+00 3.86 -1.048719772e+00 -1.279650234e+00 -1.271166541e+00 3.88 -1.036970520e+00 -1.267629423e+00 -1.265553282e+00 3.90 -1.025429506e+00 -1.259593711e+00 -1.260033946e+00 3.92 -1.013778197e+00 -1.251390767e+00 -1.254342603e+00 3.94 -1.001752907e+00 -1.243459256e+00 -1.248202216e+00 3.96 -9.896108248e-01 -1.235420009e+00 -1.241209667e+00 3.98 -9.775552641e-01 -1.219135286e+00 -1.233240627e+00 4.00 -9.654620549e-01 -1.210178202e+00 -1.224910552e+00 4.02 -9.532329870e-01 -1.200773067e+00 -1.216433271e+00 4.04 -9.410388269e-01 -1.190990921e+00 -1.207435010e+00 4.06 -9.290996196e-01 -1.180919178e+00 -1.197949802e+00 4.08 -9.172358681e-01 -1.170592256e+00 -1.188284685e+00 4.10 -9.052372878e-01 -1.160018100e+00 -1.178320798e+00 4.12 -8.932336097e-01 -1.149188056e+00 -1.167637515e+00 4.14 -8.814293469e-01 -1.138300384e+00 -1.156786654e+00 4.16 -8.698089642e-01 -1.127383880e+00 -1.146188349e+00 4.18 -8.583850655e-01 -1.116351439e+00 -1.135873316e+00 4.20 -8.469396535e-01 -1.105211714e+00 -1.125617291e+00 4.22 -8.351506396e-01 -1.093934065e+00 -1.114817657e+00 4.24 -8.232725949e-01 -1.082576394e+00 -1.103836747e+00 4.26 -8.116744539e-01 -1.071125828e+00 -1.093239997e+00 4.28 -8.002986821e-01 -1.059672245e+00 -1.082715024e+00 4.30 -7.890301173e-01 -1.048331176e+00 -1.071997768e+00 4.32 -7.779166631e-01 -1.037196671e+00 -1.061740507e+00 4.34 -7.668861437e-01 -1.025955929e+00 -1.051723188e+00 4.36 -7.557984202e-01 -1.014385618e+00 -1.041236411e+00 4.38 -7.445885881e-01 -1.002581343e+00 -1.030311938e+00 4.40 -7.333373088e-01 -9.907871581e-01 -1.019319731e+00 4.42 -7.221889934e-01 -9.791562974e-01 -1.008576030e+00 4.44 -7.110843588e-01 -9.675652765e-01 -9.970192214e-01 4.46 -6.999300979e-01 -9.559371898e-01 -9.817768576e-01 4.48 -6.887650115e-01 -9.440991562e-01 -9.699921946e-01 4.50 -6.777376736e-01 -9.321522226e-01 -9.600666249e-01 4.52 -6.667829026e-01 -9.201184694e-01 -9.500572303e-01 4.54 -6.557495560e-01 -9.080385508e-01 -9.402277675e-01 4.56 -6.445492455e-01 -8.959304305e-01 -9.305668238e-01 4.58 -6.330458170e-01 -8.837852608e-01 -9.209558429e-01 4.60 -6.212309967e-01 -8.715760718e-01 -9.028714352e-01 4.62 -6.095503009e-01 -8.592614306e-01 -8.933692656e-01 4.64 -5.981257007e-01 -8.468348784e-01 -8.837376420e-01 4.66 -5.865450571e-01 -8.342831731e-01 -8.739756493e-01 4.68 -5.746780440e-01 -8.216500451e-01 -8.641104713e-01 4.70 -5.628350445e-01 -8.089816466e-01 -8.541630615e-01 4.72 -5.511067402e-01 -7.962578272e-01 -8.441520199e-01 4.74 -5.392165604e-01 -7.834805735e-01 -8.341356918e-01 4.76 -5.270425946e-01 -7.707930013e-01 -8.242311424e-01 4.78 -5.148775238e-01 -7.582706910e-01 -8.144004928e-01 4.80 -5.028241298e-01 -7.457185121e-01 -8.044788177e-01 4.82 -4.908343020e-01 -7.329396052e-01 -7.942740147e-01 4.84 -4.790120472e-01 -7.200338722e-01 -7.839645140e-01 4.86 -4.670598734e-01 -7.070018979e-01 -7.736789357e-01 4.88 -4.547019076e-01 -6.938982688e-01 -7.634099403e-01 4.90 -4.423836290e-01 -6.808720298e-01 -7.530963652e-01 4.92 -4.304677798e-01 -6.679247170e-01 -7.426718358e-01 4.94 -4.185656754e-01 -6.549640433e-01 -7.322439064e-01 4.96 -4.063329993e-01 -6.419605609e-01 -7.219049478e-01 4.98 -3.941833649e-01 -6.290465813e-01 -7.116559905e-01 5.00 -3.824596535e-01 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