# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Ag # implementation = 2003--Lee-B-J--Ag--LAMMPS--ipr1 # composition = Ag # 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 2022-05-24 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 6.674106671e+02 nan nan nan nan 0.74 nan nan nan nan nan 6.258726168e+02 nan nan nan nan 0.76 nan nan nan nan nan 5.868004548e+02 nan nan 7.040563677e+02 nan 0.78 nan nan nan nan nan 5.500527219e+02 nan nan 6.562411595e+02 nan 0.80 nan nan nan nan nan 5.154958520e+02 nan nan 6.115574589e+02 nan 0.82 nan nan nan nan nan 4.830037424e+02 nan nan 5.698047860e+02 nan 0.84 nan 1.081424868e+03 nan nan nan 4.524573459e+02 7.119650926e+02 nan 5.307952865e+02 6.935978407e+02 0.86 nan 1.005028380e+03 nan nan nan 4.237442860e+02 6.656604287e+02 nan 4.943529471e+02 6.500322984e+02 0.88 nan 9.338386213e+02 nan nan nan 3.967584918e+02 6.222389338e+02 nan 4.603128586e+02 6.090738486e+02 0.90 nan 8.675098917e+02 nan nan nan 3.713998527e+02 5.815263057e+02 nan 4.285205247e+02 5.705718031e+02 0.92 nan 8.057189462e+02 8.862890760e+02 nan nan 3.475738919e+02 5.433585453e+02 1.050935988e+03 3.988312131e+02 5.343839409e+02 0.94 1.045682335e+03 7.481635658e+02 8.291949995e+02 1.045690130e+03 1.045697925e+03 3.251914568e+02 5.075813585e+02 9.839842254e+02 3.711093468e+02 5.003760439e+02 0.96 9.803213040e+02 6.945612159e+02 7.756293289e+02 9.803290553e+02 9.803368066e+02 3.041684266e+02 4.740495923e+02 9.211207239e+02 3.452279329e+02 4.684214576e+02 0.98 9.188747950e+02 6.446477889e+02 7.253803222e+02 9.188825027e+02 9.188902103e+02 2.844254354e+02 4.426267031e+02 8.621036719e+02 3.210680263e+02 4.384006750e+02 1.00 8.611157865e+02 5.981764258e+02 6.782486474e+02 8.611234503e+02 8.611311141e+02 2.658876104e+02 4.131842553e+02 8.067051806e+02 2.985182273e+02 4.102009432e+02 1.02 8.068300697e+02 5.549164119e+02 6.340466698e+02 8.068376894e+02 8.068453090e+02 2.484843234e+02 3.856014489e+02 7.547105011e+02 2.774742093e+02 3.837158914e+02 1.04 7.558155425e+02 5.146521420e+02 5.925977791e+02 7.558231177e+02 7.558306929e+02 2.321489571e+02 3.597646744e+02 7.059172851e+02 2.578382766e+02 3.588451782e+02 1.06 7.078815415e+02 4.771821506e+02 5.537357552e+02 7.078890721e+02 7.078966027e+02 2.168186829e+02 3.355670928e+02 6.601348852e+02 2.395189484e+02 3.354941589e+02 1.08 6.628482104e+02 4.423182035e+02 5.173041684e+02 6.628556962e+02 6.628631819e+02 2.024342508e+02 3.129082399e+02 6.171836951e+02 2.224305702e+02 3.135735700e+02 1.10 6.205459024e+02 4.098844465e+02 4.831558156e+02 6.205533431e+02 6.205607837e+02 1.889397915e+02 2.916936537e+02 5.768945253e+02 2.064929474e+02 2.929992313e+02 1.12 5.808146145e+02 3.797166079e+02 4.511521868e+02 5.808220097e+02 5.808294050e+02 1.762826283e+02 2.718345225e+02 5.391080138e+02 1.916310032e+02 2.736917636e+02 1.14 5.435034528e+02 3.516612514e+02 4.211629625e+02 5.435108024e+02 5.435181521e+02 1.644130996e+02 2.532473545e+02 5.036740693e+02 1.777744565e+02 2.555763223e+02 1.16 5.084701271e+02 3.255750767e+02 3.930655399e+02 5.084774309e+02 5.084847346e+02 1.532843911e+02 2.358536649e+02 4.704513450e+02 1.648575208e+02 2.385823451e+02 1.18 4.755804722e+02 3.013242636e+02 3.667445855e+02 4.755877299e+02 4.755949876e+02 1.428523771e+02 2.195796822e+02 4.393067423e+02 1.528186212e+02 2.226433136e+02 1.20 4.447079961e+02 2.787838586e+02 3.420916135e+02 4.447152074e+02 4.447224187e+02 1.330754701e+02 2.043560713e+02 4.101149410e+02 1.416001288e+02 2.076965273e+02 1.22 4.157334518e+02 2.578372000e+02 3.190045881e+02 4.157406165e+02 4.157477812e+02 1.239144792e+02 1.901176721e+02 3.827579568e+02 1.311481123e+02 1.936828909e+02 1.24 3.885444333e+02 2.383753796e+02 2.973875483e+02 3.885515511e+02 3.885586690e+02 1.153324757e+02 1.768032536e+02 3.571247225e+02 1.214121047e+02 1.805467126e+02 1.26 3.630349931e+02 2.202967387e+02 2.771502546e+02 3.630420639e+02 3.630491346e+02 1.072946663e+02 1.643552823e+02 3.331106931e+02 1.123448842e+02 1.682355131e+02 1.28 3.391052810e+02 2.035063962e+02 2.582078553e+02 3.391123044e+02 3.391193278e+02 9.976827323e+01 1.527197038e+02 3.106174726e+02 1.039022693e+02 1.566998459e+02 1.30 3.166612020e+02 1.879158069e+02 2.404805721e+02 3.166681778e+02 3.166751535e+02 9.272242086e+01 1.418457370e+02 2.895524620e+02 9.604292643e+01 1.458931266e+02 1.32 2.956140937e+02 1.734423481e+02 2.238934039e+02 2.956210216e+02 2.956279495e+02 8.612802852e+01 1.316856808e+02 2.698285265e+02 8.872818961e+01 1.357714722e+02 1.34 2.758804209e+02 1.600089321e+02 2.083758473e+02 2.758873007e+02 2.758941804e+02 7.995770933e+01 1.221947311e+02 2.513636821e+02 8.192189129e+01 1.262935486e+02 1.36 2.573814870e+02 1.475436444e+02 1.938616332e+02 2.573883183e+02 2.573951497e+02 7.418567448e+01 1.133308095e+02 2.340807987e+02 7.559020391e+01 1.174204274e+02 1.38 2.400431613e+02 1.359794045e+02 1.802884784e+02 2.400499440e+02 2.400567267e+02 6.878764283e+01 1.050544009e+02 2.179073211e+02 6.970149125e+01 1.091154491e+02 1.40 2.237956214e+02 1.252536483e+02 1.675978519e+02 2.238023552e+02 2.238090890e+02 6.374075546e+01 9.732840160e+01 2.027750048e+02 6.422616920e+01 1.013440957e+02 1.42 2.085731098e+02 1.153080317e+02 1.557347539e+02 2.085797945e+02 2.085864791e+02 5.902349497e+01 9.011797541e+01 1.886196669e+02 5.913657513e+01 9.407386853e+01 1.44 1.943137038e+02 1.060881524e+02 1.446475086e+02 1.943203390e+02 1.943269742e+02 5.461560921e+01 8.339041863e+01 1.753809509e+02 5.440684550e+01 8.727417426e+01 1.46 1.809590977e+02 9.754329022e+01 1.342875675e+02 1.809656832e+02 1.809722688e+02 5.049803926e+01 7.711503276e+01 1.630021057e+02 5.001280123e+01 8.091621622e+01 1.48 1.684543982e+02 8.962616396e+01 1.246093255e+02 1.684609337e+02 1.684674693e+02 4.665285140e+01 7.126300470e+01 1.514297755e+02 4.593184009e+01 7.497289226e+01 1.50 1.567479297e+02 8.229270398e+01 1.155699467e+02 1.567544151e+02 1.567609005e+02 4.306317278e+01 6.580729393e+01 1.406138028e+02 4.214283603e+01 6.941869812e+01 1.52 1.457910518e+02 7.550183948e+01 1.071292006e+02 1.457974867e+02 1.458039216e+02 3.971313081e+01 6.072252634e+01 1.305070426e+02 3.862604474e+01 6.422963616e+01 1.54 1.355379855e+02 6.921529964e+01 9.924930766e+01 1.355443696e+02 1.355507538e+02 3.658779576e+01 5.598489422e+01 1.210651859e+02 3.536301520e+01 5.938312917e+01 1.56 1.259456501e+02 6.339742755e+01 9.189479400e+01 1.259519832e+02 1.259583164e+02 3.367312670e+01 5.157206220e+01 1.122465948e+02 3.233650674e+01 5.485793903e+01 1.58 1.169735091e+02 5.801500632e+01 8.503235433e+01 1.169797910e+02 1.169860728e+02 3.095592035e+01 4.746307867e+01 1.040121460e+02 2.953041144e+01 5.063408980e+01 1.60 1.085834240e+02 5.303709643e+01 7.863072298e+01 1.085896543e+02 1.085958846e+02 2.842376286e+01 4.363829246e+01 9.632508344e+01 2.692968129e+01 4.669279519e+01 1.62 1.007395169e+02 4.843488374e+01 7.266055230e+01 1.007456953e+02 1.007518738e+02 2.606498422e+01 4.007927434e+01 8.915087942e+01 2.452026009e+01 4.301639006e+01 1.64 9.340804048e+01 4.418153734e+01 6.709429829e+01 9.341416688e+01 9.342029329e+01 2.386861532e+01 3.676874323e+01 8.245710363e+01 2.228901953e+01 3.958826576e+01 1.66 8.655725560e+01 4.025207678e+01 6.190611278e+01 8.656332965e+01 8.656940369e+01 2.182434730e+01 3.369049678e+01 7.621329969e+01 2.022369943e+01 3.639280904e+01 1.68 8.015731516e+01 3.662324784e+01 5.707174198e+01 8.016333658e+01 8.016935799e+01 1.992249330e+01 3.082934594e+01 7.039086866e+01 1.831285167e+01 3.341534448e+01 1.70 7.418015501e+01 3.327340665e+01 5.256843087e+01 7.418612352e+01 7.419209203e+01 1.815395231e+01 2.817105354e+01 6.496295938e+01 1.654578770e+01 3.064208011e+01 1.72 6.859939075e+01 3.018241117e+01 4.837483330e+01 6.860530608e+01 6.861122142e+01 1.651017500e+01 2.570227643e+01 5.990436499e+01 1.491252946e+01 2.806005606e+01 1.74 6.339022041e+01 2.733152000e+01 4.447092726e+01 6.339608228e+01 6.340194416e+01 1.498313162e+01 2.341051104e+01 5.519142550e+01 1.340376326e+01 2.565709617e+01 1.76 5.852933253e+01 2.470329771e+01 4.083793516e+01 5.853514068e+01 5.854094883e+01 1.356528157e+01 2.128404223e+01 5.080193590e+01 1.201079677e+01 2.342176226e+01 1.78 5.399481956e+01 2.228152650e+01 3.745824882e+01 5.400057370e+01 5.400632785e+01 1.224954479e+01 1.931189516e+01 4.671505963e+01 1.072551860e+01 2.134331110e+01 1.80 4.976609603e+01 2.005112365e+01 3.431535877e+01 4.977179588e+01 4.977749574e+01 1.102927473e+01 1.748378998e+01 4.291124697e+01 9.540360564e+00 1.941165368e+01 1.82 4.582382139e+01 1.799806443e+01 3.139378787e+01 4.582946668e+01 4.583511197e+01 9.898232866e+00 1.579009931e+01 3.937215830e+01 8.448262251e+00 1.761731687e+01 1.84 4.214982727e+01 1.610931007e+01 2.867902868e+01 4.215541772e+01 4.216100817e+01 8.850564671e+00 1.422180815e+01 3.608059162e+01 7.442637952e+00 1.595140725e+01 1.86 3.872704883e+01 1.437274064e+01 2.615748466e+01 3.873258416e+01 3.873811948e+01 7.880776940e+00 1.277047629e+01 3.302041449e+01 6.517345639e+00 1.440557702e+01 1.88 3.553945998e+01 1.277709221e+01 2.381641477e+01 3.554493990e+01 3.555041982e+01 6.983716428e+00 1.142820291e+01 3.017649972e+01 5.666657951e+00 1.297199178e+01 1.90 3.257201236e+01 1.131189832e+01 2.164388136e+01 3.257743659e+01 3.258286082e+01 6.154549700e+00 1.018759330e+01 2.753466496e+01 4.885235033e+00 1.164330022e+01 1.92 2.981057776e+01 9.967435303e+00 1.962870117e+01 2.981594601e+01 2.982131427e+01 5.388744136e+00 9.041727592e+00 2.508161577e+01 4.168099120e+00 1.041260551e+01 1.94 2.724189380e+01 8.734671254e+00 1.776039927e+01 2.724720580e+01 2.725251780e+01 4.682050027e+00 7.984131405e+00 2.280489195e+01 3.510610746e+00 9.273438352e+00 1.96 2.485351282e+01 7.605218417e+00 1.602916562e+01 2.485876828e+01 2.486402373e+01 4.030483700e+00 7.008748175e+00 2.069281713e+01 2.908446492e+00 8.219731561e+00 1.98 2.263375357e+01 6.571288768e+00 1.442581436e+01 2.263895219e+01 2.264415081e+01 3.430311615e+00 6.109913226e+00 1.873445124e+01 2.357578153e+00 7.245796099e+00 2.00 2.057165576e+01 5.625652557e+00 1.294174546e+01 2.057679726e+01 2.058193876e+01 2.878035379e+00 5.282329371e+00 1.691954576e+01 1.854253254e+00 6.346298508e+00 2.02 1.865693718e+01 4.761599658e+00 1.156890860e+01 1.866202128e+01 1.866710537e+01 2.370377626e+00 4.521043997e+00 1.523850167e+01 1.394976824e+00 5.516239640e+00 2.04 1.687995336e+01 3.972903505e+00 1.029976937e+01 1.688497975e+01 1.689000615e+01 1.904268713e+00 3.821427534e+00 1.368232984e+01 9.764943425e-01 4.750934609e+00 2.06 1.523165942e+01 3.253787466e+00 9.127277313e+00 1.523662782e+01 1.524159623e+01 1.476834193e+00 3.179153230e+00 1.224261370e+01 5.957757864e-01 4.045993908e+00 2.08 1.370357428e+01 2.598893485e+00 8.044836025e+00 1.370848440e+01 1.371339452e+01 1.085383007e+00 2.590178155e+00 1.091147425e+01 2.500007164e-01 3.397305623e+00 2.10 1.228774684e+01 2.003252853e+00 7.046274970e+00 1.229259839e+01 1.229744993e+01 7.273963711e-01 2.050725362e+00 9.681537036e+00 -6.345567597e-02 2.801018674e+00 2.12 1.097672415e+01 1.462258950e+00 6.125823025e+00 1.098151683e+01 1.098630951e+01 4.005173087e-01 1.557267124e+00 8.545901110e+00 -3.470356141e-01 2.253527037e+00 2.14 9.763521444e+00 9.716418464e-01 5.278083615e+00 9.768254959e+00 9.772988475e+00 1.025407943e-01 1.106509211e+00 7.498109867e+00 -6.030109346e-01 1.751454884e+00 2.16 8.641593886e+00 5.274446307e-01 4.498011344e+00 8.646267942e+00 8.650941998e+00 -1.685955252e-01 6.953761097e-01 6.532123583e+00 -8.334944921e-01 1.291642589e+00 2.18 7.604809996e+00 1.260013473e-01 3.780890040e+00 7.609424295e+00 7.614038594e+00 -4.148200648e-01 3.209971608e-01 5.642293611e+00 -1.040450821e+00 8.711335589e-01 2.20 6.647426604e+00 -2.360835502e-01 3.122312137e+00 6.651980848e+00 6.656535092e+00 -6.379355222e-01 -1.930646107e-02 4.823338116e+00 -1.225706103e+00 4.871618270e-01 2.22 5.764065281e+00 -5.619543518e-01 2.518159294e+00 5.768559171e+00 5.773053061e+00 -8.396266144e-01 -3.280339636e-01 4.070319263e+00 -1.390957480e+00 1.371403857e-01 2.24 4.949690148e+00 -8.545219166e-01 1.964584210e+00 4.954123383e+00 4.958556619e+00 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