# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-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 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 5.500527219e+02 nan nan nan nan 0.80 nan nan nan nan nan 5.154958520e+02 nan nan nan nan 0.82 nan nan nan nan nan 4.830037424e+02 nan nan 5.698047860e+02 nan 0.84 nan nan nan nan nan 4.524573459e+02 nan nan 5.307952865e+02 nan 0.86 nan nan nan nan nan 4.237442860e+02 nan nan 4.943529471e+02 nan 0.88 nan nan nan nan nan 3.967584918e+02 nan nan 4.603128586e+02 nan 0.90 nan 8.675098917e+02 nan nan nan 3.713998527e+02 nan nan 4.285205247e+02 5.705718031e+02 0.92 nan 8.057189462e+02 nan nan nan 3.475738919e+02 5.433585452e+02 nan 3.988312131e+02 5.343839409e+02 0.94 nan 7.481635658e+02 nan nan nan 3.251914568e+02 5.075813585e+02 nan 3.711093468e+02 5.003760439e+02 0.96 nan 6.945612159e+02 nan nan nan 3.041684265e+02 4.740495923e+02 nan 3.452279328e+02 4.684214575e+02 0.98 nan 6.446477889e+02 7.253803221e+02 nan nan 2.844254354e+02 4.426267031e+02 nan 3.210680263e+02 4.384006750e+02 1.00 nan 5.981764258e+02 6.782486473e+02 nan 8.611311140e+02 2.658876103e+02 4.131842553e+02 8.067051805e+02 2.985182272e+02 4.102009432e+02 1.02 8.068300696e+02 5.549164119e+02 6.340466696e+02 8.068376892e+02 8.068453088e+02 2.484843233e+02 3.856014489e+02 7.547105011e+02 2.774742093e+02 3.837158913e+02 1.04 7.558155425e+02 5.146521419e+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 7.078815414e+02 4.771821505e+02 5.537357551e+02 7.078890720e+02 7.078966026e+02 2.168186828e+02 3.355670928e+02 6.601348851e+02 2.395189484e+02 3.354941589e+02 1.08 6.628482103e+02 4.423182034e+02 5.173041683e+02 6.628556961e+02 6.628631818e+02 2.024342508e+02 3.129082399e+02 6.171836950e+02 2.224305702e+02 3.135735700e+02 1.10 6.205459025e+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 5.808146144e+02 3.797166079e+02 4.511521867e+02 5.808220097e+02 5.808294049e+02 1.762826283e+02 2.718345225e+02 5.391080138e+02 1.916310031e+02 2.736917635e+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 5.084847347e+02 1.532843911e+02 2.358536649e+02 4.704513450e+02 1.648575208e+02 2.385823452e+02 1.18 4.755804722e+02 3.013242636e+02 3.667445855e+02 4.755877298e+02 4.755949875e+02 1.428523771e+02 2.195796822e+02 4.393067423e+02 1.528186211e+02 2.226433135e+02 1.20 4.447079961e+02 2.787838586e+02 3.420916135e+02 4.447152074e+02 4.447224188e+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 3.885444332e+02 2.383753796e+02 2.973875483e+02 3.885515511e+02 3.885586690e+02 1.153324757e+02 1.768032536e+02 3.571247224e+02 1.214121047e+02 1.805467126e+02 1.26 3.630349932e+02 2.202967387e+02 2.771502546e+02 3.630420639e+02 3.630491347e+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 2.404805720e+02 3.166681778e+02 3.166751535e+02 9.272242085e+01 1.418457370e+02 2.895524619e+02 9.604292642e+01 1.458931266e+02 1.32 2.956140938e+02 1.734423481e+02 2.238934039e+02 2.956210217e+02 2.956279496e+02 8.612802853e+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 7.995770932e+01 1.221947311e+02 2.513636820e+02 8.192189128e+01 1.262935486e+02 1.36 2.573814870e+02 1.475436444e+02 1.938616331e+02 2.573883183e+02 2.573951497e+02 7.418567448e+01 1.133308095e+02 2.340807987e+02 7.559020390e+01 1.174204274e+02 1.38 2.400431613e+02 1.359794045e+02 1.802884784e+02 2.400499440e+02 2.400567267e+02 6.878764284e+01 1.050544009e+02 2.179073211e+02 6.970149125e+01 1.091154491e+02 1.40 2.237956214e+02 1.252536483e+02 1.675978518e+02 2.238023552e+02 2.238090890e+02 6.374075545e+01 9.732840159e+01 2.027750048e+02 6.422616919e+01 1.013440956e+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 5.913657512e+01 9.407386852e+01 1.44 1.943137038e+02 1.060881524e+02 1.446475086e+02 1.943203390e+02 1.943269742e+02 5.461560920e+01 8.339041862e+01 1.753809509e+02 5.440684550e+01 8.727417425e+01 1.46 1.809590977e+02 9.754329022e+01 1.342875675e+02 1.809656832e+02 1.809722687e+02 5.049803925e+01 7.711503274e+01 1.630021057e+02 5.001280121e+01 8.091621620e+01 1.48 1.684543982e+02 8.962616396e+01 1.246093255e+02 1.684609337e+02 1.684674693e+02 4.665285140e+01 7.126300470e+01 1.514297754e+02 4.593184009e+01 7.497289226e+01 1.50 1.567479297e+02 8.229270398e+01 1.155699467e+02 1.567544151e+02 1.567609005e+02 4.306317277e+01 6.580729393e+01 1.406138028e+02 4.214283602e+01 6.941869811e+01 1.52 1.457910518e+02 7.550183947e+01 1.071292006e+02 1.457974867e+02 1.458039216e+02 3.971313080e+01 6.072252633e+01 1.305070426e+02 3.862604474e+01 6.422963614e+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 5.938312918e+01 1.56 1.259456501e+02 6.339742755e+01 9.189479398e+01 1.259519832e+02 1.259583164e+02 3.367312669e+01 5.157206219e+01 1.122465948e+02 3.233650674e+01 5.485793902e+01 1.58 1.169735091e+02 5.801500632e+01 8.503235432e+01 1.169797910e+02 1.169860728e+02 3.095592035e+01 4.746307867e+01 1.040121460e+02 2.953041143e+01 5.063408979e+01 1.60 1.085834240e+02 5.303709643e+01 7.863072298e+01 1.085896543e+02 1.085958846e+02 2.842376286e+01 4.363829246e+01 9.632508345e+01 2.692968129e+01 4.669279519e+01 1.62 1.007395168e+02 4.843488373e+01 7.266055229e+01 1.007456953e+02 1.007518738e+02 2.606498422e+01 4.007927433e+01 8.915087941e+01 2.452026008e+01 4.301639005e+01 1.64 9.340804049e+01 4.418153734e+01 6.709429829e+01 9.341416689e+01 9.342029329e+01 2.386861532e+01 3.676874324e+01 8.245710363e+01 2.228901953e+01 3.958826576e+01 1.66 8.655725561e+01 4.025207677e+01 6.190611279e+01 8.656332965e+01 8.656940369e+01 2.182434730e+01 3.369049678e+01 7.621329969e+01 2.022369944e+01 3.639280904e+01 1.68 8.015731515e+01 3.662324784e+01 5.707174197e+01 8.016333657e+01 8.016935798e+01 1.992249330e+01 3.082934594e+01 7.039086866e+01 1.831285167e+01 3.341534448e+01 1.70 7.418015502e+01 3.327340665e+01 5.256843088e+01 7.418612353e+01 7.419209204e+01 1.815395231e+01 2.817105355e+01 6.496295937e+01 1.654578771e+01 3.064208012e+01 1.72 6.859939075e+01 3.018241117e+01 4.837483330e+01 6.860530608e+01 6.861122142e+01 1.651017500e+01 2.570227643e+01 5.990436498e+01 1.491252946e+01 2.806005606e+01 1.74 6.339022040e+01 2.733152000e+01 4.447092725e+01 6.339608228e+01 6.340194416e+01 1.498313162e+01 2.341051104e+01 5.519142550e+01 1.340376326e+01 2.565709616e+01 1.76 5.852933254e+01 2.470329771e+01 4.083793517e+01 5.853514069e+01 5.854094884e+01 1.356528157e+01 2.128404223e+01 5.080193591e+01 1.201079677e+01 2.342176227e+01 1.78 5.399481956e+01 2.228152650e+01 3.745824881e+01 5.400057370e+01 5.400632784e+01 1.224954479e+01 1.931189516e+01 4.671505962e+01 1.072551860e+01 2.134331110e+01 1.80 4.976609602e+01 2.005112366e+01 3.431535877e+01 4.977179588e+01 4.977749574e+01 1.102927473e+01 1.748378998e+01 4.291124697e+01 9.540360563e+00 1.941165368e+01 1.82 4.582382139e+01 1.799806443e+01 3.139378787e+01 4.582946668e+01 4.583511198e+01 9.898232868e+00 1.579009931e+01 3.937215830e+01 8.448262253e+00 1.761731687e+01 1.84 4.214982726e+01 1.610931007e+01 2.867902868e+01 4.215541771e+01 4.216100816e+01 8.850564668e+00 1.422180815e+01 3.608059162e+01 7.442637950e+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 3.302041448e+01 6.517345640e+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 5.666657950e+00 1.297199178e+01 1.90 3.257201235e+01 1.131189832e+01 2.164388135e+01 3.257743658e+01 3.258286081e+01 6.154549697e+00 1.018759329e+01 2.753466496e+01 4.885235031e+00 1.164330021e+01 1.92 2.981057776e+01 9.967435301e+00 1.962870117e+01 2.981594601e+01 2.982131427e+01 5.388744136e+00 9.041727592e+00 2.508161577e+01 4.168099119e+00 1.041260551e+01 1.94 2.724189380e+01 8.734671251e+00 1.776039926e+01 2.724720579e+01 2.725251779e+01 4.682050025e+00 7.984131403e+00 2.280489194e+01 3.510610745e+00 9.273438349e+00 1.96 2.485351282e+01 7.605218414e+00 1.602916561e+01 2.485876827e+01 2.486402372e+01 4.030483697e+00 7.008748173e+00 2.069281713e+01 2.908446490e+00 8.219731557e+00 1.98 2.263375357e+01 6.571288766e+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 2.057165575e+01 5.625652554e+00 1.294174545e+01 2.057679725e+01 2.058193875e+01 2.878035376e+00 5.282329368e+00 1.691954576e+01 1.854253252e+00 6.346298504e+00 2.02 1.865693718e+01 4.761599656e+00 1.156890860e+01 1.866202127e+01 1.866710536e+01 2.370377624e+00 4.521043995e+00 1.523850167e+01 1.394976823e+00 5.516239638e+00 2.04 1.687995336e+01 3.972903504e+00 1.029976937e+01 1.688497975e+01 1.689000615e+01 1.904268713e+00 3.821427533e+00 1.368232983e+01 9.764943423e-01 4.750934609e+00 2.06 1.523165941e+01 3.253787465e+00 9.127277309e+00 1.523662782e+01 1.524159622e+01 1.476834191e+00 3.179153228e+00 1.224261370e+01 5.957757848e-01 4.045993906e+00 2.08 1.370357428e+01 2.598893485e+00 8.044836024e+00 1.370848440e+01 1.371339452e+01 1.085383007e+00 2.590178155e+00 1.091147425e+01 2.500007162e-01 3.397305623e+00 2.10 1.228774684e+01 2.003252853e+00 7.046274969e+00 1.229259839e+01 1.229744993e+01 7.273963711e-01 2.050725362e+00 9.681537034e+00 -6.345567621e-02 2.801018674e+00 2.12 1.097672415e+01 1.462258950e+00 6.125823023e+00 1.098151683e+01 1.098630951e+01 4.005173077e-01 1.557267123e+00 8.545901109e+00 -3.470356149e-01 2.253527035e+00 2.14 9.763521446e+00 9.716418471e-01 5.278083616e+00 9.768254962e+00 9.772988477e+00 1.025407950e-01 1.106509211e+00 7.498109870e+00 -6.030109342e-01 1.751454885e+00 2.16 8.641593886e+00 5.274446309e-01 4.498011343e+00 8.646267942e+00 8.650941998e+00 -1.685955254e-01 6.953761091e-01 6.532123583e+00 -8.334944922e-01 1.291642589e+00 2.18 7.604809995e+00 1.260013474e-01 3.780890039e+00 7.609424294e+00 7.614038593e+00 -4.148200652e-01 3.209971600e-01 5.642293608e+00 -1.040450822e+00 8.711335583e-01 2.20 6.647426607e+00 -2.360835500e-01 3.122312138e+00 6.651980851e+00 6.656535095e+00 -6.379355212e-01 -1.930646010e-02 4.823338115e+00 -1.225706102e+00 4.871618284e-01 2.22 5.764065280e+00 -5.619543521e-01 2.518159294e+00 5.768559170e+00 5.773053060e+00 -8.396266147e-01 -3.280339638e-01 4.070319263e+00 -1.390957481e+00 1.371403852e-01 2.24 4.949690148e+00 -8.545219172e-01 1.964584210e+00 4.954123384e+00 4.958556619e+00 -1.021467358e+00 -6.075164054e-01 3.378621774e+00 -1.537781763e+00 -1.813498009e-01 2.26 4.199586990e+00 -1.116480287e+00 1.457993529e+00 4.203959270e+00 4.208331550e+00 -1.184927919e+00 -8.599274552e-01 2.743932774e+00 -1.667643566e+00 -4.705701329e-01 2.28 3.509343586e+00 -1.350322148e+00 9.950317927e-01 3.513654608e+00 3.517965630e+00 -1.331381055e+00 -1.087293489e+00 2.162222851e+00 -1.781902909e+00 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