# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Meyer-R-Entel-P--Fe # implementation = 1998--Meyer-R--Fe--LAMMPS--ipr1 # composition = Fe # 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 8.789530466e+04 nan 0.62 nan nan nan nan nan nan nan nan 7.803482787e+04 nan 0.64 nan nan nan nan nan nan nan nan 6.944948367e+04 nan 0.66 nan nan nan nan nan 5.332450885e+04 nan nan 6.194699406e+04 nan 0.68 nan nan nan nan nan 4.767585436e+04 nan nan 5.536955032e+04 nan 0.70 nan nan nan nan nan 4.270918894e+04 nan nan 4.958647334e+04 nan 0.72 nan nan nan nan nan 3.832669766e+04 nan nan 4.448816486e+04 nan 0.74 nan nan nan 8.732416288e+04 8.732300011e+04 3.444587105e+04 nan nan 3.998177839e+04 nan 0.76 nan 5.137659302e+04 nan 7.921240086e+04 7.921043614e+04 3.099847559e+04 5.261108952e+04 nan 3.598834182e+04 5.193694538e+04 0.78 nan 4.645013113e+04 nan 7.197022658e+04 7.196851583e+04 2.792825637e+04 4.759154755e+04 nan 3.243968306e+04 4.699364339e+04 0.80 nan 4.204813686e+04 nan 6.548631557e+04 6.548588650e+04 2.518836700e+04 4.310930215e+04 nan 2.927717439e+04 4.258259988e+04 0.82 nan 3.810680530e+04 nan 5.966638615e+04 5.966767579e+04 2.273905195e+04 3.909925968e+04 nan 2.645112247e+04 3.863867497e+04 0.84 5.442752078e+04 3.457190747e+04 4.879876255e+04 5.443033439e+04 5.443321802e+04 2.054598331e+04 3.550515834e+04 5.046620061e+04 2.391943701e+04 3.510473324e+04 0.86 4.970590690e+04 3.139666242e+04 4.450676665e+04 4.970990899e+04 4.971391442e+04 1.858009761e+04 3.227813167e+04 4.604770896e+04 2.164590881e+04 3.192987977e+04 0.88 4.544217769e+04 2.853994822e+04 4.063141470e+04 4.544645646e+04 4.545066023e+04 1.681630611e+04 2.937542525e+04 4.205998342e+04 1.959966030e+04 2.907077025e+04 0.90 4.158596888e+04 2.596550398e+04 3.712744580e+04 4.158937187e+04 4.159278015e+04 1.523273732e+04 2.675945421e+04 3.845520472e+04 1.775439292e+04 2.648990565e+04 0.92 3.809266231e+04 2.364117047e+04 3.395537849e+04 3.809454089e+04 3.809646208e+04 1.381032755e+04 2.439699726e+04 3.519130504e+04 1.608772427e+04 2.415478533e+04 0.94 3.492281064e+04 2.153888300e+04 3.108075115e+04 3.492300806e+04 3.492325285e+04 1.253223307e+04 2.225869376e+04 3.223137235e+04 1.458036502e+04 2.203688431e+04 0.96 3.204193948e+04 1.963444324e+04 2.847291343e+04 3.204071667e+04 3.203951905e+04 1.138360294e+04 2.031861303e+04 2.954327796e+04 1.321573193e+04 2.011221342e+04 0.98 2.942030679e+04 1.790679211e+04 2.610438522e+04 2.941807707e+04 2.941586148e+04 1.035109352e+04 1.855434754e+04 2.709887358e+04 1.197959466e+04 1.836041644e+04 1.00 2.703164402e+04 1.633728353e+04 2.395065586e+04 2.702891831e+04 2.702618460e+04 9.422696855e+03 1.694647411e+04 2.487318453e+04 1.085949960e+04 1.676392635e+04 1.02 2.485269956e+04 1.490949887e+04 2.198970446e+04 2.484996783e+04 2.484723377e+04 8.587576694e+03 1.547856907e+04 2.284397510e+04 9.844446753e+03 1.530754596e+04 1.04 2.286248457e+04 1.360859678e+04 2.020146355e+04 2.286025577e+04 2.285804762e+04 7.835934937e+03 1.413659306e+04 2.099143397e+04 8.924516249e+03 1.397788781e+04 1.06 2.104233109e+04 1.242146866e+04 1.856778271e+04 2.104105020e+04 2.103978525e+04 7.158666115e+03 1.290852317e+04 1.929798778e+04 8.090806267e+03 1.276332121e+04 1.08 1.937568694e+04 1.133660729e+04 1.707238668e+04 1.937551683e+04 1.937535412e+04 6.547493751e+03 1.178384687e+04 1.774797677e+04 7.335270180e+03 1.165348973e+04 1.10 1.784774021e+04 1.034353089e+04 1.570064551e+04 1.784858764e+04 1.784944172e+04 5.994917869e+03 1.075339858e+04 1.632741846e+04 6.650550934e+03 1.063913678e+04 1.12 1.644516955e+04 9.432992031e+03 1.444002679e+04 1.644682362e+04 1.644848424e+04 5.494396693e+03 9.809094401e+03 1.502373966e+04 6.030066403e+03 9.711889549e+03 1.14 1.515604872e+04 8.597023107e+03 1.327970757e+04 1.515825325e+04 1.516044965e+04 5.040180562e+03 8.943696433e+03 1.382566159e+04 5.467741365e+03 8.864226781e+03 1.16 1.396982101e+04 7.828541583e+03 1.221030572e+04 1.397222524e+04 1.397463906e+04 4.627211864e+03 8.150683504e+03 1.272302538e+04 4.958047984e+03 8.089369248e+03 1.18 1.287665972e+04 7.121489399e+03 1.122363044e+04 1.287903629e+04 1.288141033e+04 4.251039677e+03 7.424188460e+03 1.170655725e+04 4.496010208e+03 7.381075390e+03 1.20 1.186755455e+04 6.470619004e+03 1.031235951e+04 1.186975796e+04 1.187193525e+04 3.907682546e+03 6.758885802e+03 1.076810619e+04 4.077125760e+03 6.733595455e+03 1.22 1.093462249e+04 5.871440004e+03 9.470096242e+03 1.093660052e+04 1.093851634e+04 3.593654579e+03 6.149838403e+03 9.900591745e+03 3.697263643e+03 6.141521040e+03 1.24 1.007118065e+04 5.319899655e+03 8.691090183e+03 1.007284196e+04 1.007448054e+04 3.305807501e+03 5.592529808e+03 9.097937756e+03 3.352700328e+03 5.600132532e+03 1.26 9.271148863e+03 4.812414643e+03 7.970067787e+03 9.272518531e+03 9.273902353e+03 3.041227318e+03 5.082717363e+03 8.354704905e+03 3.040003153e+03 5.105061805e+03 1.28 8.529344451e+03 4.345822531e+03 7.302319289e+03 8.530463833e+03 8.531613074e+03 2.797326985e+03 4.616477990e+03 7.666216107e+03 2.755996284e+03 4.652382534e+03 1.30 7.841219604e+03 3.917262433e+03 6.683745923e+03 7.842113094e+03 7.843045196e+03 2.571951396e+03 4.190249846e+03 7.028259671e+03 2.497876092e+03 4.238513602e+03 1.32 7.202679986e+03 3.524134455e+03 6.110621714e+03 7.203389698e+03 7.204125347e+03 2.363266332e+03 3.800672112e+03 6.437117633e+03 2.263145632e+03 3.860149810e+03 1.34 6.610119015e+03 3.164007625e+03 5.579658815e+03 6.610656663e+03 6.611210604e+03 2.169717663e+03 3.444708835e+03 5.889397371e+03 2.049542945e+03 3.514291716e+03 1.36 6.060249047e+03 2.834609609e+03 5.087982469e+03 6.060630774e+03 6.061024102e+03 1.990030259e+03 3.119565848e+03 5.382008020e+03 1.855066362e+03 3.198144514e+03 1.38 5.550067594e+03 2.533859013e+03 4.632968938e+03 5.550330219e+03 5.550588006e+03 1.823096163e+03 2.822675942e+03 4.912114615e+03 1.677877281e+03 2.909118308e+03 1.40 5.076865312e+03 2.259802264e+03 4.212210216e+03 5.077036525e+03 5.077182804e+03 1.667946839e+03 2.551627175e+03 4.477146102e+03 1.516314832e+03 2.644865383e+03 1.42 4.638149634e+03 2.010600851e+03 3.823503120e+03 4.638235333e+03 4.638295630e+03 1.523748907e+03 2.304146615e+03 4.074727731e+03 1.368934873e+03 2.403227108e+03 1.44 4.231546266e+03 1.784530756e+03 3.464810397e+03 4.231590678e+03 4.231609374e+03 1.389768211e+03 2.078234264e+03 3.702653079e+03 1.234458633e+03 2.182135872e+03 1.46 3.854853871e+03 1.579941329e+03 3.134233238e+03 3.854877599e+03 3.854875418e+03 1.265348457e+03 1.872057071e+03 3.358876606e+03 1.111764095e+03 1.979646668e+03 1.48 3.506123260e+03 1.395249933e+03 2.830020681e+03 3.506124718e+03 3.506112178e+03 1.149909545e+03 1.683969433e+03 3.041554305e+03 9.998524408e+02 1.794067701e+03 1.50 3.183531512e+03 1.228957242e+03 2.550482727e+03 3.183509190e+03 3.183493524e+03 1.042898866e+03 1.512501736e+03 2.748939940e+03 8.978292988e+02 1.623884021e+03 1.52 2.885370920e+03 1.079637160e+03 2.293996498e+03 2.885336343e+03 2.885326060e+03 9.437911079e+02 1.356297844e+03 2.479424440e+03 8.048708797e+02 1.467741439e+03 1.54 2.610094354e+03 9.459413150e+02 2.059053301e+03 2.610068110e+03 2.610067120e+03 8.521102487e+02 1.214130220e+03 2.231525448e+03 7.202474866e+02 1.324472349e+03 1.56 2.356264718e+03 8.265891794e+02 1.844238152e+03 2.356255659e+03 2.356265004e+03 7.674257474e+02 1.084885610e+03 2.003859874e+03 6.432778976e+02 1.193043845e+03 1.58 2.122551586e+03 7.203830696e+02 1.648249106e+03 2.122553898e+03 2.122568670e+03 6.893736676e+02 9.675199535e+02 1.795139049e+03 5.733499673e+02 1.072554267e+03 1.60 1.907691664e+03 6.261500644e+02 1.469764443e+03 1.907703996e+03 1.907723635e+03 6.175256937e+02 8.610774529e+02 1.604136610e+03 5.098983416e+02 9.621578235e+02 1.62 1.710506936e+03 5.428154527e+02 1.307568352e+03 1.710527068e+03 1.710550045e+03 5.515163626e+02 7.646796746e+02 1.429723980e+03 4.523981180e+02 8.611125062e+02 1.64 1.529884360e+03 4.693593869e+02 1.160502256e+03 1.529915891e+03 1.529940189e+03 4.909956957e+02 6.774933465e+02 1.270791063e+03 4.003673684e+02 7.687439124e+02 1.66 1.364769078e+03 4.048234103e+02 1.027462894e+03 1.364812537e+03 1.364836049e+03 4.356283682e+02 5.987325672e+02 1.126317731e+03 3.533442049e+02 6.844343938e+02 1.68 1.214213277e+03 3.482412799e+02 9.074015986e+02 1.214244499e+03 1.214258594e+03 3.850938728e+02 5.276865340e+02 9.953159157e+02 3.108856708e+02 6.076137186e+02 1.70 1.077223224e+03 2.987529676e+02 7.993223935e+02 1.077233174e+03 1.077234674e+03 3.390853272e+02 4.637043707e+02 8.768215872e+02 2.725821401e+02 5.377515797e+02 1.72 9.528614847e+02 2.555780907e+02 7.023042172e+02 9.528582568e+02 9.528541606e+02 2.973074554e+02 4.061911465e+02 7.699448350e+02 2.380857867e+02 4.743522742e+02 1.74 8.402611375e+02 2.180089107e+02 6.154368361e+02 8.402495569e+02 8.402437240e+02 2.594761454e+02 3.546053045e+02 6.738367954e+02 2.070640907e+02 4.169498834e+02 1.76 7.385945114e+02 1.854040808e+02 5.378622934e+02 7.385794719e+02 7.385719803e+02 2.253261226e+02 3.084548603e+02 5.876875378e+02 1.792169901e+02 3.651045803e+02 1.78 6.470717609e+02 1.571831031e+02 4.687498123e+02 6.470593214e+02 6.470504137e+02 1.945967974e+02 2.672646046e+02 5.107353985e+02 1.542706404e+02 3.184014500e+02 1.80 5.649436373e+02 1.328213531e+02 4.072979373e+02 5.649335714e+02 5.649235204e+02 1.670250271e+02 2.306023796e+02 4.422381470e+02 1.319727241e+02 2.764575080e+02 1.82 4.915082996e+02 1.118325483e+02 3.527930602e+02 4.914973747e+02 4.914864497e+02 1.424134372e+02 1.980672545e+02 3.814967642e+02 1.120985904e+02 2.389486458e+02 1.84 4.260695223e+02 9.375824771e+01 3.045786451e+02 4.260579721e+02 4.260464219e+02 1.206761041e+02 1.692856943e+02 3.278482130e+02 9.443965216e+01 2.054888721e+02 1.86 3.679759835e+02 7.819661044e+01 2.620503320e+02 3.679676961e+02 3.679594087e+02 1.016888472e+02 1.439095709e+02 2.806623273e+02 7.889421304e+01 1.757495438e+02 1.88 3.166070069e+02 6.479938608e+01 2.246515531e+02 3.166071104e+02 3.166072139e+02 8.521095249e+01 1.216148551e+02 2.393480080e+02 6.541198243e+01 1.494176628e+02 1.90 2.713721736e+02 5.327386275e+01 1.918696196e+02 2.713797800e+02 2.713873864e+02 7.096600812e+01 1.020992443e+02 2.033382763e+02 5.387473193e+01 1.261955291e+02 1.92 2.317111263e+02 4.334923353e+01 1.632371302e+02 2.317254280e+02 2.317397297e+02 5.870629596e+01 8.507667773e+01 1.720942670e+02 4.404948547e+01 1.058007018e+02 1.94 1.970937707e+02 3.481375907e+01 1.383175801e+02 1.971140312e+02 1.971342917e+02 4.820626920e+01 7.028487815e+01 1.451158404e+02 3.571687493e+01 8.796662677e+01 1.96 1.670198224e+02 2.746037854e+01 1.167063106e+02 1.670453705e+02 1.670709186e+02 3.926258824e+01 5.746200660e+01 1.219335137e+02 2.868502530e+01 7.244184569e+01 1.98 1.410329503e+02 2.112638001e+01 9.803532343e+01 1.410595571e+02 1.410861639e+02 3.169168440e+01 4.637965301e+01 1.021011323e+02 2.278372281e+01 5.900381721e+01 2.00 1.186954874e+02 1.574362072e+01 8.196680941e+01 1.187180864e+02 1.187406853e+02 2.532661233e+01 3.683382444e+01 8.517149061e+01 1.786174376e+01 4.743698963e+01 2.02 9.957143080e+01 1.129977855e+01 6.818956991e+01 9.959043976e+01 9.960944872e+01 2.001469195e+01 2.871246936e+01 7.074756529e+01 1.378335035e+01 3.756658149e+01 2.04 8.324280673e+01 7.744264358e+00 5.639671677e+01 8.325859725e+01 8.327438777e+01 1.560599192e+01 2.194759356e+01 5.847184932e+01 1.042001817e+01 2.929437909e+01 2.06 6.931216153e+01 4.934261452e+00 4.630082087e+01 6.932506569e+01 6.933796984e+01 1.196067566e+01 1.643349918e+01 4.802342656e+01 7.655757369e+00 2.249129203e+01 2.08 5.743140891e+01 2.728178805e+00 3.765183622e+01 5.744172454e+01 5.745204018e+01 8.957825625e+00 1.198484360e+01 3.912426666e+01 5.392252493e+00 1.695818352e+01 2.10 4.729753979e+01 1.009410058e+00 3.023314211e+01 4.730553463e+01 4.731352946e+01 6.493381706e+00 8.416789080e+00 3.153476374e+01 3.545539144e+00 1.248216671e+01 2.12 3.864778935e+01 -3.183559941e-01 2.385756097e+01 3.865370424e+01 3.865961912e+01 4.478395749e+00 5.573829173e+00 2.504929310e+01 2.044113060e+00 8.881945591e+00 2.14 3.125519888e+01 -1.334524006e+00 1.836381432e+01 3.125925043e+01 3.126330198e+01 2.840125429e+00 3.320785380e+00 1.949285975e+01 8.274195265e-01 6.003983948e+00 2.16 2.492455147e+01 -2.104448769e+00 1.362547963e+01 2.492693437e+01 2.492931726e+01 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