# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Morse # implementation = 2013--Hale-L-M--Pd-Ag-H-Morse--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 3.220905580e+02 nan 0.78 nan nan nan nan nan nan nan nan 2.957729402e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.720716966e+02 nan 0.82 nan nan nan nan nan 2.160347066e+02 nan nan 2.506757251e+02 nan 0.84 nan nan nan nan nan 1.995568699e+02 nan nan 2.313097619e+02 nan 0.86 nan nan nan nan nan 1.846119227e+02 nan nan 2.137614904e+02 nan 0.88 nan nan nan nan nan 1.710069517e+02 nan nan 1.978517662e+02 nan 0.90 nan nan nan nan nan 1.586130227e+02 nan nan 1.833937310e+02 nan 0.92 nan nan nan 3.438905395e+02 3.438696704e+02 1.473441188e+02 nan nan 1.702237252e+02 2.351224295e+02 0.94 nan 2.183200106e+02 nan 3.205279368e+02 3.205269321e+02 1.370954919e+02 2.220445590e+02 nan 1.582072397e+02 2.187471723e+02 0.96 nan 2.032498409e+02 nan 2.990686302e+02 2.990916660e+02 1.277367278e+02 2.067991939e+02 nan 1.472260501e+02 2.037689218e+02 0.98 nan 1.894436543e+02 nan 2.793374043e+02 2.793831628e+02 1.191583773e+02 1.928037239e+02 nan 1.371758560e+02 1.900470660e+02 1.00 nan 1.768022857e+02 nan 2.611740424e+02 2.612345479e+02 1.112633229e+02 1.799257712e+02 nan 1.279688579e+02 1.774560642e+02 1.02 nan 1.652100638e+02 nan 2.444496868e+02 2.445091205e+02 1.039687358e+02 1.680712383e+02 nan 1.195325378e+02 1.658767746e+02 1.04 nan 1.545456353e+02 2.082120212e+02 2.290508520e+02 2.290894960e+02 9.722697273e+01 1.571708143e+02 2.144124115e+02 1.117920234e+02 1.552137381e+02 1.06 2.148372527e+02 1.446851409e+02 1.951132047e+02 2.148513595e+02 2.148587502e+02 9.099700294e+01 1.471552913e+02 2.010800123e+02 1.046663800e+02 1.453873887e+02 1.08 2.017473855e+02 1.355379326e+02 1.830197807e+02 2.017093643e+02 2.016898998e+02 8.524103370e+01 1.379507307e+02 1.887107494e+02 9.808422185e+01 1.363266796e+02 1.10 1.895681802e+02 1.270444963e+02 1.718315249e+02 1.895074040e+02 1.894708942e+02 7.992425961e+01 1.294761574e+02 1.772148852e+02 9.199453934e+01 1.279600031e+02 1.12 1.782193737e+02 1.191606626e+02 1.614531807e+02 1.781617620e+02 1.781192420e+02 7.501114088e+01 1.216471051e+02 1.665234835e+02 8.635564076e+01 1.202175163e+02 1.14 1.676451423e+02 1.118506853e+02 1.518060819e+02 1.676088589e+02 1.675731972e+02 7.046405627e+01 1.143846729e+02 1.565816535e+02 8.113201012e+01 1.130426680e+02 1.16 1.577993401e+02 1.050856304e+02 1.428398834e+02 1.577919543e+02 1.577727682e+02 6.625977900e+01 1.076294002e+02 1.473441299e+02 7.628836473e+01 1.063838332e+02 1.18 1.486384840e+02 9.883860172e+01 1.345150386e+02 1.486550171e+02 1.486554258e+02 6.238376799e+01 1.013412614e+02 1.387637423e+02 7.178955216e+01 1.001984538e+02 1.20 1.401229199e+02 9.307655615e+01 1.267895680e+02 1.401494455e+02 1.401643306e+02 5.882048268e+01 9.549248412e+01 1.307883762e+02 6.760733336e+01 9.445763081e+01 1.22 1.322100935e+02 8.775404722e+01 1.196184804e+02 1.322343933e+02 1.322553681e+02 5.554833583e+01 9.005875978e+01 1.233697877e+02 6.371697272e+01 8.912752134e+01 1.24 1.248510746e+02 8.282093499e+01 1.129523897e+02 1.248675910e+02 1.248883864e+02 5.254013434e+01 8.501041333e+01 1.164680625e+02 6.009580224e+01 8.416802766e+01 1.26 1.179928185e+02 7.823353398e+01 1.067400798e+02 1.180017874e+02 1.180202889e+02 4.976886055e+01 8.031606853e+01 1.100408467e+02 5.672168977e+01 7.953697362e+01 1.28 1.115842733e+02 7.395817982e+01 1.009315928e+02 1.115900096e+02 1.116071925e+02 4.720759803e+01 7.594420707e+01 1.040470402e+02 5.357257003e+01 7.519550103e+01 1.30 1.055932405e+02 6.996823090e+01 9.548677023e+01 1.055988450e+02 1.056136274e+02 4.482078672e+01 7.186225733e+01 9.845755113e+01 5.063099091e+01 7.112263658e+01 1.32 9.999704927e+01 6.624061182e+01 9.038170940e+01 1.000019728e+02 1.000108527e+02 4.245210426e+01 6.804281870e+01 9.324695492e+01 4.788715502e+01 6.730289245e+01 1.34 9.477504752e+01 6.275367556e+01 8.560333990e+01 9.477581952e+01 9.477535641e+01 4.009189613e+01 6.446237233e+01 8.838757019e+01 4.533278020e+01 6.372033611e+01 1.36 8.990396568e+01 5.948793501e+01 8.113835932e+01 8.989687745e+01 8.988528469e+01 3.777060778e+01 6.109609123e+01 8.384773093e+01 4.293675209e+01 6.035953839e+01 1.38 8.535507798e+01 5.642626557e+01 7.697219910e+01 8.533919264e+01 8.531734530e+01 3.550866805e+01 5.792578793e+01 7.959333072e+01 4.057320603e+01 5.720598291e+01 1.40 8.109556268e+01 5.355390379e+01 7.309145443e+01 8.107360789e+01 8.104531486e+01 3.332048878e+01 5.493964210e+01 7.559542107e+01 3.824196253e+01 5.424637634e+01 1.42 7.709073340e+01 5.085712990e+01 6.947990301e+01 7.706845520e+01 7.704009651e+01 3.121601523e+01 5.212839902e+01 7.183172279e+01 3.595981469e+01 5.146770227e+01 1.44 7.331232127e+01 4.832479833e+01 6.611594030e+01 7.329614455e+01 7.327447119e+01 2.920050187e+01 4.948451181e+01 6.828538188e+01 3.373885458e+01 4.885892988e+01 1.46 6.974372577e+01 4.594897307e+01 6.297183045e+01 6.973774317e+01 6.972718976e+01 2.727507557e+01 4.700038788e+01 6.494541680e+01 3.158737344e+01 4.641156819e+01 1.48 6.637608213e+01 4.368155059e+01 6.001343689e+01 6.637970626e+01 6.638067458e+01 2.543764494e+01 4.466720329e+01 6.180317696e+01 2.951114780e+01 4.411691845e+01 1.50 6.320344632e+01 4.142598806e+01 5.721293772e+01 6.321216166e+01 6.322196349e+01 2.368781696e+01 4.245769316e+01 5.885076434e+01 2.751522510e+01 4.193271734e+01 1.52 6.021945958e+01 3.919648266e+01 5.455650330e+01 6.022854811e+01 6.024400917e+01 2.202922626e+01 4.026997523e+01 5.607932332e+01 2.560348010e+01 3.976721278e+01 1.54 5.741560669e+01 3.700794777e+01 5.203545213e+01 5.742239173e+01 5.744040239e+01 2.046417093e+01 3.810473195e+01 5.347835534e+01 2.377855351e+01 3.763262347e+01 1.56 5.478166526e+01 3.487271162e+01 4.964413448e+01 5.478645713e+01 5.480428618e+01 1.899273574e+01 3.597617481e+01 5.103481560e+01 2.204127017e+01 3.554392798e+01 1.58 5.230629574e+01 3.279950283e+01 4.737736499e+01 5.231126572e+01 5.232679714e+01 1.761381655e+01 3.389497132e+01 4.873389589e+01 2.039098766e+01 3.351120586e+01 1.60 4.997780652e+01 3.079556027e+01 4.522890391e+01 4.998477570e+01 4.999666282e+01 1.632552545e+01 3.186905086e+01 4.656224131e+01 1.882732379e+01 3.153997470e+01 1.62 4.778261129e+01 2.886558262e+01 4.312638214e+01 4.779208137e+01 4.780000477e+01 1.512516126e+01 2.990457503e+01 4.450440977e+01 1.735044316e+01 2.963192929e+01 1.64 4.570447288e+01 2.701117524e+01 4.102755384e+01 4.571616051e+01 4.572104851e+01 1.400940754e+01 2.800685956e+01 4.247071818e+01 1.596026197e+01 2.778620715e+01 1.66 4.371269948e+01 2.523247294e+01 3.895344526e+01 4.372556850e+01 4.372902271e+01 1.297417974e+01 2.618069863e+01 4.043313256e+01 1.465597654e+01 2.600305860e+01 1.68 4.171768626e+01 2.352914844e+01 3.692051005e+01 4.173041785e+01 4.173365842e+01 1.201421250e+01 2.442999900e+01 3.840953846e+01 1.343542362e+01 2.428435216e+01 1.70 3.972473563e+01 2.190062041e+01 3.494018061e+01 3.973685006e+01 3.974079371e+01 1.112303921e+01 2.275712077e+01 3.641451151e+01 1.229487388e+01 2.263234897e+01 1.72 3.774922498e+01 2.034610297e+01 3.301845400e+01 3.776058961e+01 3.776588386e+01 1.029286334e+01 2.116233076e+01 3.445978676e+01 1.122934648e+01 2.104970666e+01 1.74 3.580401298e+01 1.886437717e+01 3.115701509e+01 3.581431739e+01 3.582110890e+01 9.515200325e+00 1.964427789e+01 3.255450127e+01 1.023309121e+01 1.953911462e+01 1.76 3.389961955e+01 1.745358608e+01 2.935773422e+01 3.390842260e+01 3.391643857e+01 8.784533745e+00 1.820168921e+01 3.070550931e+01 9.301398987e+00 1.810258539e+01 1.78 3.204437829e+01 1.611123424e+01 2.762286394e+01 3.205129672e+01 3.205995573e+01 8.097748236e+00 1.683317898e+01 2.891777651e+01 8.431155961e+00 1.674086627e+01 1.80 3.024462056e+01 1.483435733e+01 2.595352462e+01 3.024940163e+01 3.025789919e+01 7.452102678e+00 1.553713858e+01 2.719473029e+01 7.619598992e+00 1.545344353e+01 1.82 2.850489083e+01 1.361981916e+01 2.434970771e+01 2.850747636e+01 2.851498803e+01 6.844924326e+00 1.431185419e+01 2.553847511e+01 6.863825738e+00 1.423916762e+01 1.84 2.682816370e+01 1.246464054e+01 2.281048524e+01 2.682880293e+01 2.683473313e+01 6.273568044e+00 1.315550500e+01 2.394995563e+01 6.160522872e+00 1.309645265e+01 1.86 2.521612196e+01 1.136622694e+01 2.133432519e+01 2.521543254e+01 2.521956071e+01 5.735460619e+00 1.206581449e+01 2.242912628e+01 5.505909424e+00 1.202335167e+01 1.88 2.366958566e+01 1.032242748e+01 1.991949015e+01 2.366842519e+01 2.367087237e+01 5.228224389e+00 1.103988943e+01 2.097518957e+01 4.895761392e+00 1.101774712e+01 1.90 2.218890463e+01 9.331457599e+00 1.856433345e+01 2.218807067e+01 2.218914170e+01 4.749774310e+00 1.007420609e+01 1.958699114e+01 4.325736228e+00 1.007749211e+01 1.92 2.077388429e+01 8.391769638e+00 1.726733395e+01 2.077383090e+01 2.077385294e+01 4.298291100e+00 9.164632016e+00 1.826332821e+01 3.792718790e+00 9.199994575e+00 1.94 1.942358900e+01 7.501936749e+00 1.602692876e+01 1.942431788e+01 1.942355408e+01 3.872084606e+00 8.306776313e+00 1.700255507e+01 3.294709805e+00 8.381892326e+00 1.96 1.813620930e+01 6.660579218e+00 1.484137562e+01 1.813738450e+01 1.813602855e+01 3.469475407e+00 7.497589970e+00 1.580238887e+01 2.829991008e+00 7.618928663e+00 1.98 1.690904932e+01 5.866340865e+00 1.370880300e+01 1.691022790e+01 1.690843908e+01 3.088813064e+00 6.735194052e+00 1.465992331e+01 2.396983988e+00 6.905925096e+00 2.00 1.573870876e+01 5.117880149e+00 1.262740210e+01 1.573952114e+01 1.573744677e+01 2.728617378e+00 6.017815676e+00 1.357175682e+01 1.994159569e+00 6.237020879e+00 2.02 1.462202921e+01 4.413824593e+00 1.159560118e+01 1.462224410e+01 1.462002224e+01 2.387709185e+00 5.343609327e+00 1.253463815e+01 1.619948836e+00 5.607436193e+00 2.04 1.355673251e+01 3.752707325e+00 1.061212286e+01 1.355623508e+01 1.355399072e+01 2.065220166e+00 4.710682443e+00 1.154594829e+01 1.272688304e+00 5.014646748e+00 2.06 1.254057332e+01 3.132945755e+00 9.675896608e+00 1.253934094e+01 1.253719281e+01 1.760471476e+00 4.117173805e+00 1.060322982e+01 9.506365508e-01 4.456659333e+00 2.08 1.157116312e+01 2.553010175e+00 8.785914646e+00 1.156928610e+01 1.156736464e+01 1.472827858e+00 3.561267018e+00 9.704169684e+00 6.520832463e-01 3.931631016e+00 2.10 1.064602031e+01 2.011636161e+00 7.941115998e+00 1.064374096e+01 1.064219977e+01 1.201617911e+00 3.041216301e+00 8.846667251e+00 3.754480466e-01 3.437802974e+00 2.12 9.762738882e+00 1.507842471e+00 7.140299541e+00 9.760454281e+00 9.759458308e+00 9.461165234e-01 2.555358968e+00 8.028883069e+00 1.193522857e-01 2.973494833e+00 2.14 8.919193849e+00 1.040854222e+00 6.382062275e+00 8.917376536e+00 8.917065126e+00 7.055563325e-01 2.102110914e+00 7.249236773e+00 -1.173583373e-01 2.537109561e+00 2.16 8.113660339e+00 6.099838823e-01 5.664789637e+00 8.112720459e+00 8.113164100e+00 4.791479407e-01 1.679882014e+00 6.506351575e+00 -3.356435207e-01 2.127143248e+00 2.18 7.344766347e+00 2.145105413e-01 4.986698188e+00 7.344936253e+00 7.346117549e+00 2.661490980e-01 1.286997929e+00 5.798972448e+00 -5.363372490e-01 1.742182587e+00 2.20 6.611334504e+00 -1.464953202e-01 4.345989102e+00 6.612634261e+00 6.614467447e+00 6.582969655e-02 9.217180573e-01 5.125906743e+00 -7.202728263e-01 1.380885860e+00 2.22 5.912237602e+00 -4.743434391e-01 3.741071029e+00 5.914518096e+00 5.916891109e+00 -1.224510694e-01 5.822694530e-01 4.486024421e+00 -8.883625675e-01 1.041960744e+00 2.24 5.246337451e+00 -7.707359832e-01 3.170624253e+00 5.249361840e+00 5.252173109e+00 -2.992251848e-01 2.668708010e-01 3.878297921e+00 -1.041640613e+00 7.241489851e-01 2.26 4.612501636e+00 -1.037724297e+00 2.633597302e+00 4.616026993e+00 4.619199800e+00 -4.648876368e-01 -2.624229751e-02 3.301852633e+00 -1.181206684e+00 4.262335744e-01 2.28 4.009662495e+00 -1.277585477e+00 2.129163651e+00 4.013491933e+00 4.016966139e+00 -6.197023854e-01 -2.985201377e-01 2.756004047e+00 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