# 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-Hybrid # implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--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 4.114173066e+02 nan 0.78 nan nan nan nan nan nan nan nan 3.772191065e+02 nan 0.80 nan nan nan nan nan nan nan nan 3.464485399e+02 nan 0.82 nan nan nan nan nan 2.726528441e+02 nan nan 3.186697249e+02 nan 0.84 nan nan nan nan nan 2.508707224e+02 nan nan 2.935066444e+02 nan 0.86 nan nan nan nan nan 2.311026569e+02 nan nan 2.706567787e+02 nan 0.88 nan nan nan nan nan 2.131321945e+02 nan nan 2.498615497e+02 nan 0.90 nan nan nan nan nan 1.967896542e+02 nan nan 2.308833290e+02 nan 0.92 nan nan nan 4.404306333e+02 4.405066435e+02 1.819283962e+02 nan nan 2.135351322e+02 2.988338949e+02 0.94 nan 2.765136629e+02 nan 4.098908212e+02 4.099626085e+02 1.683973204e+02 2.815486944e+02 nan 1.976636545e+02 2.775575149e+02 0.96 nan 2.569303740e+02 nan 3.818682547e+02 3.819211084e+02 1.560422203e+02 2.617824936e+02 nan 1.831232526e+02 2.580080116e+02 0.98 nan 2.389752854e+02 nan 3.561233569e+02 3.561495763e+02 1.447380656e+02 2.436196943e+02 nan 1.697831561e+02 2.400094751e+02 1.00 nan 2.224942380e+02 nan 3.324397070e+02 3.324355350e+02 1.343656124e+02 2.268772614e+02 nan 1.575357015e+02 2.234175897e+02 1.02 nan 2.073326076e+02 nan 3.106388796e+02 3.106039050e+02 1.248121281e+02 2.114115952e+02 nan 1.462951211e+02 2.081019377e+02 1.04 nan 1.933448325e+02 2.632414877e+02 2.905601671e+02 2.904978805e+02 1.160042888e+02 1.971123129e+02 2.715482795e+02 1.359746872e+02 1.939523670e+02 1.06 2.721066526e+02 1.803956170e+02 2.462885766e+02 2.720355487e+02 2.719582070e+02 1.078824437e+02 1.838837274e+02 2.541321822e+02 1.264791409e+02 1.808728241e+02 1.08 2.549788639e+02 1.683867766e+02 2.306488332e+02 2.548920820e+02 2.548186450e+02 1.003925417e+02 1.716400777e+02 2.379810578e+02 1.177219079e+02 1.687851495e+02 1.10 2.390625163e+02 1.572451265e+02 2.161781348e+02 2.389902590e+02 2.389350724e+02 9.348087358e+01 1.602974842e+02 2.229848220e+02 1.096365621e+02 1.576201252e+02 1.12 2.242623141e+02 1.469045846e+02 2.027370217e+02 2.242227668e+02 2.241932723e+02 8.709090030e+01 1.497741908e+02 2.090510958e+02 1.021672925e+02 1.473078621e+02 1.14 2.104922745e+02 1.373046107e+02 1.902101528e+02 2.104937461e+02 2.104958980e+02 8.116649282e+01 1.399991896e+02 1.960945043e+02 9.526352063e+01 1.377739911e+02 1.16 1.976711147e+02 1.283921041e+02 1.785174591e+02 1.977140376e+02 1.977501262e+02 7.566804397e+01 1.309170229e+02 1.840411982e+02 8.887259355e+01 1.289397200e+02 1.18 1.857275563e+02 1.201192072e+02 1.675965581e+02 1.858023732e+02 1.858676450e+02 7.056574770e+01 1.224826040e+02 1.728238458e+02 8.294264230e+01 1.207400447e+02 1.20 1.746022978e+02 1.124368288e+02 1.573907872e+02 1.746900492e+02 1.747707977e+02 6.583145771e+01 1.146561077e+02 1.623757672e+02 7.743078463e+01 1.131307604e+02 1.22 1.642388359e+02 1.052898854e+02 1.478483948e+02 1.643200374e+02 1.643991212e+02 6.143563466e+01 1.073967249e+02 1.526341611e+02 7.230017304e+01 1.060679922e+02 1.24 1.545762247e+02 9.862316833e+01 1.389212888e+02 1.546370902e+02 1.547003648e+02 5.734839690e+01 1.006602804e+02 1.435419734e+02 6.751883306e+01 9.950269510e+01 1.26 1.455472796e+02 9.238976415e+01 1.305663407e+02 1.455819246e+02 1.456221563e+02 5.354487163e+01 9.440444203e+01 1.350402685e+02 6.305757721e+01 9.338126125e+01 1.28 1.370841945e+02 8.655399290e+01 1.227431869e+02 1.370952100e+02 1.371130355e+02 5.000285740e+01 8.858809377e+01 1.270738495e+02 5.888831916e+01 8.765102107e+01 1.30 1.291398150e+02 8.108965098e+01 1.154166186e+02 1.291329611e+02 1.291316514e+02 4.670265336e+01 8.316840134e+01 1.196032112e+02 5.498725763e+01 8.227856426e+01 1.32 1.216793529e+02 7.597576666e+01 1.085571392e+02 1.216596437e+02 1.216424190e+02 4.362820100e+01 7.810657476e+01 1.125965011e+02 5.133749372e+01 7.723877241e+01 1.34 1.146735804e+02 7.119258487e+01 1.021381150e+02 1.146439475e+02 1.146137120e+02 4.076646156e+01 7.336840370e+01 1.060241225e+02 4.792429371e+01 7.250858017e+01 1.36 1.080957097e+02 6.671996545e+01 9.613362949e+01 1.080581528e+02 1.080180220e+02 3.810564511e+01 6.892018827e+01 9.985672397e+01 4.473335795e+01 6.806717722e+01 1.38 1.019186458e+02 6.253795243e+01 9.051831126e+01 1.018760911e+02 1.018300585e+02 3.563426868e+01 6.473623474e+01 9.406464010e+01 4.175077582e+01 6.389568409e+01 1.40 9.611471170e+01 5.862730196e+01 8.526873417e+01 9.607175555e+01 9.602505792e+01 3.334185333e+01 6.079789398e+01 8.862230976e+01 3.896314418e+01 5.997689451e+01 1.42 9.065535409e+01 5.496871507e+01 8.036044433e+01 9.061803036e+01 9.057708116e+01 3.121601523e+01 5.708923047e+01 8.350761767e+01 3.635754387e+01 5.629416057e+01 1.44 8.551610171e+01 5.154562465e+01 7.576684446e+01 8.548997404e+01 8.546053549e+01 2.920050187e+01 5.359622283e+01 7.870030210e+01 3.392188943e+01 5.283279721e+01 1.46 8.067795005e+01 4.834422413e+01 7.145879760e+01 8.066590075e+01 8.065105988e+01 2.727507557e+01 5.030562766e+01 7.418241970e+01 3.164471243e+01 4.957987863e+01 1.48 7.612421108e+01 4.535029523e+01 6.740316179e+01 7.612498875e+01 7.612408316e+01 2.543764494e+01 4.720434867e+01 6.993789522e+01 2.951532791e+01 4.652197750e+01 1.50 7.184054465e+01 4.254751765e+01 6.357337839e+01 7.184971203e+01 7.185940348e+01 2.368781696e+01 4.428091744e+01 6.595204238e+01 2.751522510e+01 4.364588967e+01 1.52 6.781338085e+01 3.991663623e+01 5.995543882e+01 6.782648768e+01 6.784327572e+01 2.202922626e+01 4.152484414e+01 6.221010998e+01 2.560348010e+01 4.093990233e+01 1.54 6.402879895e+01 3.744131485e+01 5.653804790e+01 6.404271621e+01 6.406325662e+01 2.046417093e+01 3.892634824e+01 5.869657425e+01 2.377855351e+01 3.839453791e+01 1.56 6.047239710e+01 3.510887993e+01 5.331062903e+01 6.048579934e+01 6.050698681e+01 1.899273574e+01 3.647650268e+01 5.539391377e+01 2.204127017e+01 3.600185724e+01 1.58 5.712862214e+01 3.290813342e+01 5.026301397e+01 5.714145665e+01 5.716068561e+01 1.761381655e+01 3.416710139e+01 5.228304836e+01 2.039098766e+01 3.375386973e+01 1.60 5.398091949e+01 3.083076934e+01 4.738504631e+01 5.399328916e+01 5.400874604e+01 1.632552545e+01 3.199049730e+01 4.934659368e+01 1.882732379e+01 3.164185773e+01 1.62 5.101084168e+01 2.886951043e+01 4.466650967e+01 5.102260659e+01 5.103362038e+01 1.512516126e+01 2.993963025e+01 4.656757162e+01 1.735044316e+01 2.965610206e+01 1.64 4.819810944e+01 2.701117524e+01 4.209785651e+01 4.820931757e+01 4.821662084e+01 1.400940754e+01 2.800825982e+01 4.393242200e+01 1.596026197e+01 2.778620516e+01 1.66 4.552868051e+01 2.523247294e+01 3.967069804e+01 4.553939841e+01 4.554435772e+01 1.297417974e+01 2.618069863e+01 4.143284766e+01 1.465597654e+01 2.600305860e+01 1.68 4.299443363e+01 2.352914844e+01 3.737735338e+01 4.300464902e+01 4.300855618e+01 1.201421250e+01 2.442999900e+01 3.906160889e+01 1.343542362e+01 2.428435216e+01 1.70 4.058820471e+01 2.190062041e+01 3.520998481e+01 4.059805223e+01 4.060203988e+01 1.112303921e+01 2.275712077e+01 3.681223695e+01 1.229487388e+01 2.263234897e+01 1.72 3.830348702e+01 2.034610297e+01 3.315955266e+01 3.831306237e+01 3.831796262e+01 1.029286334e+01 2.116233076e+01 3.467891822e+01 1.122934648e+01 2.104970666e+01 1.74 3.613435490e+01 1.886437717e+01 3.121604668e+01 3.614340959e+01 3.614956409e+01 9.515200325e+00 1.964427789e+01 3.265615406e+01 1.023309121e+01 1.953911462e+01 1.76 3.407521141e+01 1.745358608e+01 2.937216257e+01 3.408327550e+01 3.409061848e+01 8.784533745e+00 1.820168921e+01 3.073856191e+01 9.301398987e+00 1.810258539e+01 1.78 3.212067788e+01 1.611123424e+01 2.762289640e+01 3.212726723e+01 3.213539904e+01 8.097748236e+00 1.683317898e+01 2.892091254e+01 8.431155961e+00 1.674086627e+01 1.80 3.026567388e+01 1.483435733e+01 2.595352462e+01 3.027038200e+01 3.027860057e+01 7.452102678e+00 1.553713858e+01 2.719473029e+01 7.619598992e+00 1.545344353e+01 1.82 2.850548932e+01 1.361981916e+01 2.434970771e+01 2.850808086e+01 2.851555235e+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 4.791481365e-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 6.582969658e-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 -1.224510693e-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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