# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-32 # implementation = 2016--Borovikov-V--fictional-Cu-32--LAMMPS--ipr1 # composition = Cu # 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 2.745190196e+05 nan 0.78 nan nan nan nan nan nan nan nan 2.367407817e+05 nan 0.80 nan nan nan nan nan nan nan nan 2.026593395e+05 nan 0.82 nan nan nan nan nan 1.193747188e+05 nan nan 1.718354313e+05 nan 0.84 nan nan nan nan nan 9.513313387e+04 nan nan 1.438892613e+05 nan 0.86 nan nan nan nan nan 7.310627243e+04 nan nan 1.184930532e+05 nan 0.88 nan nan nan nan nan 5.399075542e+04 nan nan 9.536296760e+04 nan 0.90 nan nan nan nan nan 3.991681819e+04 nan nan 7.425264362e+04 nan 0.92 nan nan nan 3.073105552e+05 3.073118999e+05 2.964968597e+04 nan nan 5.563225115e+04 1.502557708e+05 0.94 nan 1.264405270e+05 nan 2.737558189e+05 2.737569218e+05 2.212145584e+04 1.315277364e+05 nan 4.164678982e+04 1.265680957e+05 0.96 nan 1.046909393e+05 nan 2.429478004e+05 2.429483180e+05 1.657462087e+04 1.094714417e+05 nan 3.130601460e+04 1.048223232e+05 0.98 nan 8.468813080e+04 nan 2.146119161e+05 2.146118544e+05 1.246875979e+04 8.918739938e+04 nan 2.362448616e+04 8.482350496e+04 1.00 nan 6.626076130e+04 nan 1.885060200e+05 1.885056990e+05 9.416167252e+03 7.050147967e+04 nan 1.789335865e+04 6.639988313e+04 1.02 nan 5.079185409e+04 nan 1.644145708e+05 1.644143633e+05 7.136969112e+03 5.415978432e+04 nan 1.359956284e+04 5.091234968e+04 1.04 nan 3.906939275e+04 1.119162344e+05 1.421461787e+05 1.421462511e+05 5.428429166e+03 4.168466272e+04 1.209191431e+05 1.036989981e+04 3.917404980e+04 1.06 1.215302049e+05 3.015065527e+04 9.298840040e+04 1.215319035e+05 1.215321917e+05 4.143081253e+03 3.218911375e+04 1.014892101e+05 7.931715456e+03 3.024233032e+04 1.08 1.024197363e+05 2.333933106e+04 7.544334369e+04 1.024215468e+05 1.024218625e+05 3.172793501e+03 2.493396067e+04 8.347831935e+04 6.084621133e+03 2.342042698e+04 1.10 8.468030997e+04 1.811882761e+04 5.942201923e+04 8.468129767e+04 8.468151585e+04 2.437901445e+03 1.937072477e+04 6.675974556e+04 4.680659095e+03 1.819118547e+04 1.12 6.819151453e+04 1.410402802e+04 4.662635291e+04 6.819134848e+04 6.819145797e+04 1.879500161e+03 1.509035625e+04 5.242217159e+04 3.610128060e+03 1.416912953e+04 1.14 5.380195536e+04 1.100655550e+04 3.669062008e+04 5.380113896e+04 5.380117136e+04 1.453842337e+03 1.178643763e+04 4.128051047e+04 2.791369937e+03 1.106558609e+04 1.16 4.255033024e+04 8.609555617e+03 2.894995474e+04 4.254957182e+04 4.254961064e+04 1.128344426e+03 9.228437165e+03 3.259526160e+04 2.163370911e+03 8.663386588e+03 1.18 3.374035925e+04 6.749318291e+03 2.290037881e+04 3.373999078e+04 3.374009974e+04 8.786623433e+02 7.242192862e+03 2.580349514e+04 1.680375217e+03 6.798588891e+03 1.20 2.682117948e+04 5.301728874e+03 1.815824950e+04 2.682124418e+04 2.682142838e+04 6.865471994e+02 5.695646495e+03 2.047650116e+04 1.307949725e+03 5.346995670e+03 1.22 2.137119680e+04 4.172379314e+03 1.443045627e+04 2.137155233e+04 2.137177890e+04 5.382765857e+02 4.488335824e+03 1.628645139e+04 1.020093351e+03 4.214121989e+03 1.24 1.706653819e+04 3.289213471e+03 1.149215332e+04 1.706698385e+04 1.706721091e+04 4.235016470e+02 3.543571102e+03 1.298168265e+04 7.971071293e+02 3.327789962e+03 1.26 1.365748037e+04 2.597037619e+03 9.170227303e+03 1.365788553e+04 1.365808955e+04 3.343896962e+02 2.802575023e+03 1.036836775e+04 6.240090878e+02 2.632662970e+03 1.28 1.095091411e+04 2.053412671e+03 7.330950985e+03 1.095120809e+04 1.095137647e+04 2.649922916e+02 2.220136583e+03 8.296756439e+03 4.893705646e+02 2.086232610e+03 1.30 8.796928617e+03 1.625613897e+03 5.870679418e+03 8.797108570e+03 8.797242006e+03 2.107828532e+02 1.761376991e+03 6.650744014e+03 3.844508960e+02 1.655766558e+03 1.32 7.078799152e+03 1.288353570e+03 4.708802881e+03 7.078900528e+03 7.079010957e+03 1.682952625e+02 1.399319844e+03 5.340013450e+03 3.025415907e+02 1.315985131e+03 1.34 5.705379540e+03 1.022034869e+03 3.782452768e+03 5.705443547e+03 5.705542483e+03 1.348688677e+02 1.113047616e+03 4.294100008e+03 2.384760551e+02 1.047296520e+03 1.36 4.605277645e+03 8.114219241e+02 3.042467206e+03 4.605333580e+03 4.605425314e+03 1.084719580e+02 8.863046713e+02 3.457870877e+03 1.882770200e+02 8.344670733e+02 1.38 3.722417283e+03 6.446346908e+02 2.450297020e+03 3.722473784e+03 3.722555134e+03 8.754785797e+01 7.064274529e+02 2.788062659e+03 1.488756768e+02 6.656173374e+02 1.40 3.012629818e+03 5.123858135e+02 1.975625008e+03 3.012679255e+03 3.012744603e+03 7.090038374e+01 5.635236574e+02 2.250633480e+03 1.178968832e+02 5.314600647e+02 1.42 2.441022495e+03 4.074018162e+02 1.594545024e+03 2.441057363e+03 2.441103857e+03 5.760697014e+01 4.498463500e+02 1.818723602e+03 9.349914752e+01 4.247205892e+02 1.44 1.979961791e+03 3.239790177e+02 1.288152257e+03 1.979982483e+03 1.980010840e+03 4.695154997e+01 3.593117107e+02 1.471090693e+03 7.424699096e+01 3.396905626e+02 1.46 1.607513672e+03 2.576352149e+02 1.041463030e+03 1.607524286e+03 1.607536859e+03 3.837420704e+01 2.871315255e+02 1.190896457e+03 5.901732257e+01 2.718805775e+02 1.48 1.306229103e+03 2.048363217e+02 8.425833253e+02 1.306232245e+03 1.306231754e+03 3.143871827e+01 2.295208214e+02 9.647624340e+02 4.693852644e+01 2.177510616e+02 1.50 1.062194921e+03 1.627887967e+02 6.820526397e+02 1.062192043e+03 1.062181236e+03 2.580635036e+01 1.834924210e+02 7.820372653e+02 3.733456472e+01 1.745039343e+02 1.52 8.642927742e+02 1.292841873e+02 5.523291659e+02 8.642846111e+02 8.642660048e+02 2.121094308e+01 1.466865031e+02 6.342217565e+02 2.967995103e+01 1.399147215e+02 1.54 7.036205218e+02 1.025752343e+02 4.473906791e+02 7.036067831e+02 7.035831335e+02 1.744268901e+01 1.172339570e+02 5.145204030e+02 2.356391402e+01 1.122118541e+02 1.56 5.730400339e+02 8.127695975e+01 3.624217327e+02 5.730207729e+02 5.729953234e+02 1.433664747e+01 9.365089714e+01 4.174930183e+02 1.866423765e+01 8.999337622e+01 1.58 4.668145940e+02 6.429137898e+01 2.935678689e+02 4.667915756e+02 4.667678193e+02 1.176368809e+01 7.475769554e+01 3.387767191e+02 1.472818265e+01 7.214784382e+01 1.60 3.803241220e+02 5.074605093e+01 2.377393539e+02 3.803008422e+02 3.802816789e+02 9.623130894e+00 5.961402580e+01 2.748666083e+02 1.155767204e+01 5.779444207e+01 1.62 3.098450575e+02 3.994582772e+01 1.924542887e+02 3.098246417e+02 3.098115610e+02 7.836573625e+00 4.746927121e+01 2.229452932e+02 8.997222502e+00 4.623579852e+01 1.64 2.523748876e+02 3.133623919e+01 1.557122022e+02 2.523589208e+02 2.523517938e+02 6.341515776e+00 3.772386657e+01 1.807440956e+02 6.924319916e+00 3.691804694e+01 1.66 2.054878275e+02 2.447430663e+01 1.258955082e+02 2.054765058e+02 2.054740818e+02 5.086271931e+00 2.989830082e+01 1.464308619e+02 5.241701839e+00 2.939877960e+01 1.68 1.672197269e+02 1.900566903e+01 1.016942662e+02 1.672123348e+02 1.672128715e+02 4.027538980e+00 2.360913623e+01 1.185236025e+02 3.871992415e+00 2.332399132e+01 1.70 1.359769000e+02 1.464716519e+01 8.204729847e+01 1.359725372e+02 1.359742679e+02 3.129510395e+00 1.855055970e+01 9.582180163e+01 2.753109428e+00 1.841045258e+01 1.72 1.104639790e+02 1.117339913e+01 6.609611209e+01 1.104617728e+02 1.104632048e+02 2.363937757e+00 1.447529611e+01 7.735208071e+01 1.835535248e+00 1.443182309e+01 1.74 8.962665825e+01 8.405459870e+00 5.314652021e+01 8.962611679e+01 8.962645736e+01 1.708996547e+00 1.118521354e+01 6.232481975e+01 1.079664010e+00 1.120666602e+01 1.76 7.260580324e+01 6.195892253e+00 4.263569367e+01 7.260719630e+01 7.260664302e+01 1.146876313e+00 8.523587832e+00 5.009953677e+01 4.527734230e-01 8.589119964e+00 1.78 5.870130835e+01 4.428640445e+00 3.410594156e+01 5.870567800e+01 5.870524285e+01 6.625103244e-01 6.366388235e+00 4.015662186e+01 -7.000194161e-02 6.462168378e+00 1.80 4.734323455e+01 3.013422896e+00 2.718466507e+01 4.735182428e+01 4.735280594e+01 2.433357342e-01 4.615280302e+00 3.207372294e+01 -5.074668531e-01 4.732201582e+00 1.82 3.806837087e+01 1.879050667e+00 2.156883855e+01 3.808148565e+01 3.808488402e+01 -1.208285080e-01 3.191984944e+00 2.550701229e+01 -8.741528800e-01 3.324392594e+00 1.84 3.050027661e+01 9.683583206e-01 1.701346795e+01 3.051650446e+01 3.052262515e+01 -4.380694869e-01 2.033973776e+00 2.017545769e+01 -1.182016634e+00 2.178709601e+00 1.86 2.433013542e+01 2.354504373e-01 1.331604190e+01 2.434719394e+01 2.435584904e+01 -7.147971922e-01 1.091081589e+00 1.584865259e+01 -1.441319886e+00 1.246806130e+00 1.88 1.930326438e+01 -3.563344102e-01 1.031216431e+01 1.931925047e+01 1.933020195e+01 -9.561059756e-01 3.228925176e-01 1.233815385e+01 -1.660511318e+00 4.895599753e-01 1.90 1.520990013e+01 -8.350963625e-01 7.869933786e+00 1.522379007e+01 1.523685501e+01 -1.165976135e+00 -3.032864942e-01 9.490395471e+00 -1.846233085e+00 -1.249784848e-01 1.92 1.187749362e+01 -1.226774417e+00 5.883018921e+00 1.188922991e+01 1.190415298e+01 -1.347409459e+00 -8.137625110e-01 7.180414300e+00 -2.003890299e+00 -6.232955913e-01 1.94 9.164360685e+00 -1.552485706e+00 4.265591627e+00 9.174736608e+00 9.191117147e+00 -1.502849201e+00 -1.229414525e+00 5.306748169e+00 -2.138005596e+00 -1.027552772e+00 1.96 6.954676901e+00 -1.827472131e+00 2.947443232e+00 6.964730354e+00 6.981951182e+00 -1.634914759e+00 -1.567262630e+00 3.786979801e+00 -2.252166715e+00 -1.356006488e+00 1.98 5.154419088e+00 -2.062691422e+00 1.871213903e+00 5.164848520e+00 5.182067333e+00 -1.746353786e+00 -1.841508662e+00 2.554137390e+00 -2.348976170e+00 -1.622989232e+00 2.00 3.687708061e+00 -2.266007658e+00 9.903591928e-01 3.698620248e+00 3.714871724e+00 -1.839845802e+00 -2.063572368e+00 1.554190787e+00 -2.430240601e+00 -1.839506637e+00 2.02 2.493121867e+00 -2.443078792e+00 2.672605170e-01 2.504164946e+00 2.518576937e+00 -1.917923462e+00 -2.243741727e+00 7.435943082e-01 -2.497322229e+00 -2.014618933e+00 2.04 1.520522927e+00 -2.597973319e+00 -3.283803348e-01 1.531227598e+00 1.543280880e+00 -1.982915402e+00 -2.390725911e+00 8.709670452e-02 -2.551441661e+00 -2.156360066e+00 2.06 7.289615199e-01 -2.733530242e+00 -8.207115227e-01 7.388671137e-01 7.483833494e-01 -2.036381837e+00 -2.511052162e+00 -4.426458718e-01 -2.593682617e+00 -2.271646223e+00 2.08 8.500405519e-02 -2.851695123e+00 -1.228730629e+00 9.365956884e-02 1.006496677e-01 -2.078548104e+00 -2.609480850e+00 -8.724553169e-01 -2.624939769e+00 -2.366161348e+00 2.10 -4.386217697e-01 -2.953863043e+00 -1.567186521e+00 -4.316521147e-01 -4.270884398e-01 -2.109595911e+00 -2.689368468e+00 -1.225201859e+00 -2.646161167e+00 -2.444305291e+00 2.12 -8.623362805e-01 -3.040745646e+00 -1.846443940e+00 -8.574771830e-01 -8.552219716e-01 -2.130049546e+00 -2.752543865e+00 -1.517728003e+00 -2.657940668e+00 -2.508317460e+00 2.14 -1.207611887e+00 -3.113707862e+00 -2.078126719e+00 -1.205261902e+00 -1.205240980e+00 -2.143009869e+00 -2.802272325e+00 -1.764213697e+00 -2.661707752e+00 -2.561881119e+00 2.16 -1.494102280e+00 -3.174450219e+00 -2.273391764e+00 -1.494642367e+00 -1.496902169e+00 -2.152480204e+00 -2.842234085e+00 -1.975874353e+00 -2.658444002e+00 -2.608461974e+00 2.18 -1.735988336e+00 -3.224335720e+00 -2.440269496e+00 -1.739737406e+00 -1.744445586e+00 -2.160938799e+00 -2.874977694e+00 -2.160552657e+00 -2.648917360e+00 -2.649547721e+00 2.20 -1.943954758e+00 -3.264582771e+00 -2.584481630e+00 -1.950980228e+00 -1.958245910e+00 -2.169514137e+00 -2.902122079e+00 -2.323908432e+00 -2.634491614e+00 -2.685994224e+00 2.22 -2.125991340e+00 -3.296303892e+00 -2.710085691e+00 -2.136018799e+00 -2.145764895e+00 -2.178414182e+00 -2.924672709e+00 -2.469988195e+00 -2.617077368e+00 -2.718354775e+00 2.24 -2.287851423e+00 -3.320499584e+00 -2.819962927e+00 -2.300314731e+00 -2.312238499e+00 -2.187288997e+00 -2.943297210e+00 -2.601599927e+00 -2.598666584e+00 -2.746954564e+00 2.26 -2.433492908e+00 -3.338052898e+00 -2.916175588e+00 -2.447651954e+00 -2.461241813e+00 -2.195643514e+00 -2.958396698e+00 -2.720678493e+00 -2.580500609e+00 -2.771962687e+00 2.28 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