# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Shim-J-H-Park-H-M--Fe-Cr # implementation = 2001--Lee-B-J--Fe-Cr--LAMMPS--ipr1 # composition = Cr # 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 1.403296281e+02 nan nan nan nan 0.68 nan nan nan nan nan 1.325273792e+02 nan nan nan nan 0.70 nan nan nan nan nan 1.251116969e+02 nan nan 1.972197072e+02 nan 0.72 nan nan nan nan nan 1.180649423e+02 nan nan 1.849358970e+02 nan 0.74 nan nan nan nan nan 1.113702208e+02 nan nan 1.733513303e+02 nan 0.76 nan nan nan nan nan 1.050113539e+02 nan nan 1.624284389e+02 nan 0.78 nan 4.606065291e+02 nan nan nan 9.897285102e+01 2.927383475e+02 nan 1.521315819e+02 2.011825005e+02 0.80 nan 4.307583317e+02 nan nan nan 9.323988298e+01 2.747609326e+02 nan 1.424269517e+02 1.896720111e+02 0.82 nan 4.027079826e+02 nan nan nan 8.779825617e+01 2.578041851e+02 nan 1.332824833e+02 1.787607835e+02 0.84 nan 3.763519761e+02 4.486156637e+02 nan nan 8.263438736e+01 2.418128526e+02 nan 1.246677688e+02 1.684194592e+02 0.86 4.363141640e+02 3.515925856e+02 4.218881816e+02 4.363110630e+02 4.363079620e+02 7.773527978e+01 2.267345758e+02 4.147049238e+02 1.165539750e+02 1.586200537e+02 0.88 4.116251446e+02 3.283375479e+02 3.966405757e+02 4.116219527e+02 4.116187608e+02 7.308849962e+01 2.125197411e+02 3.906828665e+02 1.089137656e+02 1.493358943e+02 0.90 3.882291167e+02 3.064997641e+02 3.727945208e+02 3.882258316e+02 3.882225464e+02 6.868215385e+01 1.991213402e+02 3.679469702e+02 1.017212270e+02 1.405415614e+02 0.92 3.660616289e+02 2.859970175e+02 3.502757118e+02 3.660582480e+02 3.660548672e+02 6.450486831e+01 1.864948370e+02 3.464317285e+02 9.495179698e+01 1.322128315e+02 0.94 3.450613334e+02 2.667517060e+02 3.290136628e+02 3.450578545e+02 3.450543755e+02 6.054576709e+01 1.745980412e+02 3.260748570e+02 8.858219750e+01 1.243266238e+02 0.96 3.251698400e+02 2.486905889e+02 3.089415144e+02 3.251662604e+02 3.251626808e+02 5.679445219e+01 1.633909878e+02 3.068171388e+02 8.259037033e+01 1.168609475e+02 0.98 3.063315770e+02 2.317445479e+02 2.899958517e+02 3.063278943e+02 3.063242116e+02 5.324098436e+01 1.528358236e+02 2.886022771e+02 7.695541589e+01 1.097948535e+02 1.00 2.884936591e+02 2.158483605e+02 2.721165308e+02 2.884898707e+02 2.884860823e+02 4.987586427e+01 1.428966976e+02 2.713767550e+02 7.165753487e+01 1.031083861e+02 1.02 2.716057604e+02 2.009404856e+02 2.552465139e+02 2.716018636e+02 2.715979669e+02 4.669001464e+01 1.335396591e+02 2.550897021e+02 6.667797282e+01 9.678253826e+01 1.04 2.556199942e+02 1.869628611e+02 2.393317128e+02 2.556159864e+02 2.556119787e+02 4.367476287e+01 1.247325590e+02 2.396927670e+02 6.199896732e+01 9.079920812e+01 1.06 2.404907976e+02 1.738607123e+02 2.243208397e+02 2.404866761e+02 2.404825547e+02 4.082182438e+01 1.164449573e+02 2.251399955e+02 5.760369768e+01 8.514115766e+01 1.08 2.261748224e+02 1.615823701e+02 2.101652661e+02 2.261705845e+02 2.261663466e+02 3.812328664e+01 1.086480345e+02 2.113877159e+02 5.347623722e+01 7.979197326e+01 1.10 2.126308296e+02 1.500791000e+02 1.968188880e+02 2.126264725e+02 2.126221154e+02 3.557159362e+01 1.013145081e+02 1.983944279e+02 4.960150762e+01 7.473602767e+01 1.12 1.998195907e+02 1.393049395e+02 1.842379982e+02 1.998151115e+02 1.998106323e+02 3.315953105e+01 9.441855293e+01 1.861206983e+02 4.596523579e+01 6.995844407e+01 1.14 1.877037912e+02 1.292165449e+02 1.723811649e+02 1.876991871e+02 1.876945830e+02 3.088021204e+01 8.793572518e+01 1.745290608e+02 4.255391258e+01 6.544506130e+01 1.16 1.762479413e+02 1.197730460e+02 1.612091163e+02 1.762432093e+02 1.762384774e+02 2.872706344e+01 8.184289120e+01 1.635839208e+02 3.935475370e+01 6.118240109e+01 1.18 1.654182880e+02 1.109359091e+02 1.506846306e+02 1.654134253e+02 1.654085627e+02 2.669381255e+01 7.611815897e+01 1.532514645e+02 3.635566246e+01 5.715763625e+01 1.20 1.551827335e+02 1.026688071e+02 1.407724323e+02 1.551777372e+02 1.551727408e+02 2.477447449e+01 7.074081369e+01 1.434995726e+02 3.354519437e+01 5.335856071e+01 1.22 1.455107563e+02 9.493749665e+01 1.314390927e+02 1.455056232e+02 1.455004901e+02 2.296333993e+01 6.569125622e+01 1.342977379e+02 3.091252351e+01 4.977356059e+01 1.24 1.363733357e+02 8.770970237e+01 1.226529361e+02 1.363680629e+02 1.363627901e+02 2.125496345e+01 6.095094490e+01 1.256169871e+02 2.844741053e+01 4.639158674e+01 1.26 1.277428809e+02 8.095500703e+01 1.143839504e+02 1.277374653e+02 1.277320497e+02 1.964415222e+01 5.650234027e+01 1.174298058e+02 2.614017226e+01 4.320212841e+01 1.28 1.195931623e+02 7.464474778e+01 1.066037021e+02 1.195876009e+02 1.195820394e+02 1.812595518e+01 5.232885250e+01 1.097100674e+02 2.398165282e+01 4.019518814e+01 1.30 1.118992467e+02 6.875191816e+01 9.928525556e+01 1.118935363e+02 1.118878259e+02 1.669565272e+01 4.841479170e+01 1.024329656e+02 2.196319618e+01 3.736125781e+01 1.32 1.046374352e+02 6.325107534e+01 9.240309652e+01 1.046315727e+02 1.046257102e+02 1.534874664e+01 4.474532060e+01 9.557494933e+01 2.007662007e+01 3.469129566e+01 1.34 9.778520419e+01 5.811825255e+01 8.593305922e+01 9.777918647e+01 9.777316875e+01 1.408095063e+01 4.130640976e+01 8.911366206e+01 1.831419126e+01 3.217670448e+01 1.36 9.132114876e+01 5.333087615e+01 7.985225720e+01 9.131497269e+01 9.130879662e+01 1.288818105e+01 3.808479495e+01 8.302788260e+01 1.666860198e+01 2.980931066e+01 1.38 8.522492932e+01 4.886768745e+01 7.413901771e+01 8.521859175e+01 8.521225418e+01 1.176654817e+01 3.506793691e+01 7.729746971e+01 1.513294763e+01 2.758134432e+01 1.40 7.947722012e+01 4.470866858e+01 6.877281927e+01 7.947071790e+01 7.946421567e+01 1.071234769e+01 3.224398296e+01 7.190330895e+01 1.370070552e+01 2.548542018e+01 1.42 7.405966061e+01 4.083497268e+01 6.373423241e+01 7.405299058e+01 7.404632056e+01 9.722052649e+00 2.960173076e+01 6.682726221e+01 1.236571478e+01 2.351451947e+01 1.44 6.895480882e+01 3.722885771e+01 5.900486346e+01 6.894796785e+01 6.894112687e+01 8.792305679e+00 2.713059384e+01 6.205211953e+01 1.112215723e+01 2.166197249e+01 1.46 6.414609710e+01 3.387362404e+01 5.456730104e+01 6.413908205e+01 6.413206700e+01 7.919911542e+00 2.482056894e+01 5.756155341e+01 9.964539208e+00 1.992144214e+01 1.48 5.961778984e+01 3.075355543e+01 5.040506539e+01 5.961059760e+01 5.960340536e+01 7.101830024e+00 2.266220500e+01 5.334007514e+01 8.887674394e+00 1.828690805e+01 1.50 5.535494321e+01 2.785386327e+01 4.650256011e+01 5.534757069e+01 5.534019817e+01 6.335169091e+00 2.064657384e+01 4.937299331e+01 7.886667430e+00 1.675265152e+01 1.52 5.134336681e+01 2.516063388e+01 4.284502647e+01 5.133581096e+01 5.132825510e+01 5.617178380e+00 1.876524225e+01 4.564637437e+01 6.956898440e+00 1.531324114e+01 1.54 4.756958707e+01 2.266077877e+01 3.941849993e+01 4.756184486e+01 4.755410266e+01 4.945242913e+00 1.701024560e+01 4.214700494e+01 6.094008304e+00 1.396351904e+01 1.56 4.402081249e+01 2.034198762e+01 3.620976895e+01 4.401288096e+01 4.400494943e+01 4.316877151e+00 1.537406279e+01 3.886235613e+01 5.293884723e+00 1.269858780e+01 1.58 4.068490036e+01 1.819268383e+01 3.320633575e+01 4.067677659e+01 4.066865282e+01 3.729719238e+00 1.384959252e+01 3.578054937e+01 4.552648964e+00 1.151379794e+01 1.60 3.755032525e+01 1.620198263e+01 3.039637924e+01 3.754200638e+01 3.753368751e+01 3.181525565e+00 1.243013076e+01 3.289032410e+01 3.866643330e+00 1.040473602e+01 1.62 3.460614875e+01 1.435965143e+01 2.776871967e+01 3.459763201e+01 3.458911526e+01 2.670165519e+00 1.110934944e+01 3.018100685e+01 3.232419244e+00 9.367213240e+00 1.64 3.184199092e+01 1.265607242e+01 2.531278517e+01 3.183327359e+01 3.182455627e+01 2.193616521e+00 9.881276230e+00 2.764248192e+01 2.646725977e+00 8.397254637e+00 1.66 2.924800283e+01 1.108220721e+01 2.301857993e+01 2.923908232e+01 2.923016182e+01 1.749959254e+00 8.740275340e+00 2.526516348e+01 2.106499948e+00 7.491088700e+00 1.68 2.681484061e+01 9.629563515e+00 2.087665407e+01 2.680571443e+01 2.679658824e+01 1.337373135e+00 7.681029394e+00 2.303996894e+01 1.608854586e+00 6.645137528e+00 1.70 2.453364061e+01 8.290163618e+00 1.887807499e+01 2.452430637e+01 2.451497212e+01 9.541320001e-01 6.698522206e+00 2.095829373e+01 1.151070726e+00 5.856007431e+00 1.72 2.239599579e+01 7.056514644e+00 1.701440017e+01 2.238645124e+01 2.237690668e+01 5.985999932e-01 5.788022461e+00 1.901198719e+01 7.305875018e-01 5.120479952e+00 1.74 2.039393323e+01 5.921580485e+00 1.527765145e+01 2.038417626e+01 2.037441929e+01 2.692276743e-01 4.945068280e+00 1.719332974e+01 3.449937279e-01 4.435503331e+00 1.76 1.851989269e+01 4.878755298e+00 1.366029047e+01 1.850992135e+01 1.849995002e+01 -3.545169156e-02 4.165452558e+00 1.549501111e+01 -7.980280965e-03 3.798184348e+00 1.78 1.676670624e+01 3.921838493e+00 1.215519556e+01 1.675651878e+01 1.674633133e+01 -3.168256215e-01 3.445209115e+00 1.391010961e+01 -3.304704340e-01 3.205780569e+00 1.80 1.512757883e+01 3.045011120e+00 1.075563962e+01 1.511717367e+01 1.510676851e+01 -5.762057375e-01 2.780599536e+00 1.243207248e+01 -6.244862056e-01 2.655692926e+00 1.82 1.359606978e+01 2.242813595e+00 9.455269296e+00 1.358544556e+01 1.357482133e+01 -8.148308682e-01 2.168100746e+00 1.105469713e+01 -8.919175598e-01 2.145458686e+00 1.84 1.216607520e+01 1.510124670e+00 8.248085099e+00 1.215523078e+01 1.214438636e+01 -1.033869988e+00 1.604393201e+00 9.772113372e+00 -1.134541528e+00 1.672744706e+00 1.86 1.083181122e+01 8.421416022e-01 7.128422645e+00 1.082074571e+01 1.080968021e+01 -1.234424944e+00 1.086349744e+00 8.578766470e+00 -1.354028414e+00 1.235341047e+00 1.88 9.587798006e+00 2.343614317e-01 6.090934797e+00 9.576510808e+00 9.565223611e+00 -1.417533017e+00 6.110250180e-01 7.469401031e+00 -1.551947684e+00 8.311548590e-01 1.90 8.428844626e+00 -3.174366711e-01 5.130574753e+00 8.417335420e+00 8.405826215e+00 -1.584169281e+00 1.756454608e-01 6.439045713e+00 -1.729773519e+00 4.582045719e-01 1.92 7.350034554e+00 -8.172080612e-01 4.242580004e+00 7.338303345e+00 7.326572136e+00 -1.735248777e+00 -2.224001730e-01 5.482998670e+00 -1.888890085e+00 1.146143584e-01 1.94 6.346711922e+00 -1.268658330e+00 3.422457115e+00 6.334759059e+00 6.322806195e+00 -1.871628514e+00 -5.855697906e-01 4.596813710e+00 -2.030596499e+00 -2.013911449e-01 1.96 5.414468437e+00 -1.675258118e+00 2.665967304e+00 5.402294641e+00 5.390120846e+00 -1.994109267e+00 -9.161764520e-01 3.776287156e+00 -2.156111533e+00 -4.914918558e-01 1.98 4.549130900e+00 -2.040257089e+00 1.969112750e+00 4.536737297e+00 4.524343695e+00 -2.103437210e+00 -1.216396419e+00 3.017445336e+00 -2.266578055e+00 -7.572770393e-01 2.00 3.746749375e+00 -2.366697103e+00 1.328123639e+00 3.734137523e+00 3.721525670e+00 -2.200305357e+00 -1.488276758e+00 2.316532712e+00 -2.363067221e+00 -1.000249854e+00 2.02 3.003585884e+00 -2.657424636e+00 7.394458490e-01 2.990757804e+00 2.977929724e+00 -2.285354859e+00 -1.733742559e+00 1.670000579e+00 -2.446582435e+00 -1.221831702e+00 2.04 2.316103694e+00 -2.915102491e+00 1.997293079e-01 2.303061909e+00 2.290020125e+00 -2.359176127e+00 -1.954603738e+00 1.074496349e+00 -2.518063042e+00 -1.423366346e+00 2.06 1.680957088e+00 -3.142220836e+00 -2.941830697e-01 1.667704659e+00 1.654452230e+00 -2.422305704e+00 -2.152561503e+00 5.268533451e-01 -2.578387756e+00 -1.606123853e+00 2.08 1.094981669e+00 -3.341107603e+00 -7.452658467e-01 1.081522230e+00 1.068062792e+00 -2.475212674e+00 -2.329214449e+00 2.408112128e-02 -2.628378714e+00 -1.771304330e+00 2.10 5.551851054e-01 -3.513938298e+00 -1.156320997e+00 5.415229111e-01 5.278607168e-01 -2.518389099e+00 -2.486064341e+00 -4.366437422e-01 -2.668803541e+00 -1.920041490e+00 2.12 5.873835559e-02 -3.662745234e+00 -1.529987308e+00 4.487831864e-02 3.101828169e-02 -2.552223529e+00 -2.624521572e+00 -8.579863800e-01 -2.700378796e+00 -2.053406038e+00 2.14 -3.970326964e-01 -3.789426240e+00 -1.868749303e+00 -4.110849553e-01 -4.251372141e-01 -2.577053856e+00 -2.745910339e+00 -1.242461948e+00 -2.723772236e+00 -2.172408901e+00 2.16 -8.146551883e-01 -3.895752857e+00 -2.174945679e+00 -8.288932923e-01 -8.431313962e-01 -2.593187606e+00 -2.851473523e+00 -1.592443510e+00 -2.739606482e+00 -2.278004300e+00 2.18 -1.196516833e+00 -3.983378065e+00 -2.450777317e+00 -1.210933597e+00 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