# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--K # implementation = 2016--Nichol-A--K--LAMMPS--ipr1 # composition = K # 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 6.014177954e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.338925421e+02 nan 0.76 nan nan nan nan nan 4.229382581e+02 nan nan 4.750327253e+02 nan 0.78 nan nan nan nan nan 3.773856351e+02 nan nan 4.232044726e+02 nan 0.80 nan nan nan nan nan 3.377213656e+02 nan nan 3.778605086e+02 nan 0.82 nan nan nan nan nan 3.030181141e+02 nan nan 3.382825368e+02 nan 0.84 nan nan nan nan nan 2.716893939e+02 nan nan 3.030595109e+02 nan 0.86 nan nan nan nan nan 2.442213620e+02 nan nan 2.719039399e+02 nan 0.88 nan nan nan 5.903015448e+02 5.902695856e+02 2.199446425e+02 nan nan 2.445536555e+02 3.680820653e+02 0.90 nan 3.176135165e+02 nan 5.338644094e+02 5.338408919e+02 1.983318932e+02 3.328214738e+02 nan 2.202788022e+02 3.320166364e+02 0.92 nan 2.868095114e+02 nan 4.840689267e+02 4.840792667e+02 1.791628313e+02 3.007614248e+02 nan 1.987109162e+02 3.001499839e+02 0.94 nan 2.591976492e+02 nan 4.397428220e+02 4.397987634e+02 1.622120203e+02 2.723100577e+02 nan 1.796849823e+02 2.718312193e+02 0.96 nan 2.346055820e+02 nan 3.993749802e+02 3.994370887e+02 1.468642032e+02 2.465569126e+02 nan 1.625004849e+02 2.462903705e+02 0.98 nan 2.126221049e+02 nan 3.632038550e+02 3.632458234e+02 1.331519619e+02 2.235114120e+02 3.318912907e+02 1.471098927e+02 2.236092406e+02 1.00 3.307843551e+02 1.929609663e+02 2.901177274e+02 3.307645282e+02 3.307584498e+02 1.209626429e+02 2.029380785e+02 3.020218601e+02 1.333109083e+02 2.033193813e+02 1.02 3.015651924e+02 1.752978941e+02 2.642776994e+02 3.014387665e+02 3.014026415e+02 1.100194108e+02 1.845461489e+02 2.754603410e+02 1.209294198e+02 1.850048255e+02 1.04 2.756246683e+02 1.594331231e+02 2.412606492e+02 2.754721759e+02 2.754261095e+02 1.002907671e+02 1.681683262e+02 2.512638664e+02 1.099077794e+02 1.686927937e+02 1.06 2.520759089e+02 1.452269248e+02 2.204165539e+02 2.519881423e+02 2.519504710e+02 9.142091226e+01 1.534942935e+02 2.293926685e+02 9.999706093e+01 1.538836216e+02 1.08 2.304122074e+02 1.323635084e+02 2.013913815e+02 2.304406425e+02 2.304440513e+02 8.328952254e+01 1.400189588e+02 2.097769920e+02 9.101881284e+01 1.403199423e+02 1.10 2.108992360e+02 1.207878395e+02 1.841114568e+02 2.110159560e+02 2.110583894e+02 7.593353646e+01 1.279328049e+02 1.918264355e+02 8.295078805e+01 1.281268775e+02 1.12 1.932125637e+02 1.102805427e+02 1.684156446e+02 1.933708425e+02 1.934403868e+02 6.926182237e+01 1.169162391e+02 1.757602599e+02 7.569635419e+01 1.171381849e+02 1.14 1.772022436e+02 1.008220325e+02 1.543183511e+02 1.773353877e+02 1.774048374e+02 6.328767220e+01 1.069311394e+02 1.611130064e+02 6.912326221e+01 1.071803846e+02 1.16 1.629242286e+02 9.230501150e+01 1.416993536e+02 1.629985471e+02 1.630563247e+02 5.803252674e+01 9.795378376e+01 1.478846351e+02 6.327516797e+01 9.825102003e+01 1.18 1.498617414e+02 8.454411052e+01 1.302115039e+02 1.498650330e+02 1.498941455e+02 5.326991563e+01 8.974481650e+01 1.360527850e+02 5.793420962e+01 9.012339213e+01 1.20 1.378845543e+02 7.749059207e+01 1.197278817e+02 1.378251308e+02 1.378171522e+02 4.892129697e+01 8.227756436e+01 1.250961989e+02 5.303855979e+01 8.271605043e+01 1.22 1.269947416e+02 7.105667242e+01 1.102664391e+02 1.268904689e+02 1.268481192e+02 4.498204224e+01 7.553001649e+01 1.151947780e+02 4.860279602e+01 7.600412821e+01 1.24 1.170709703e+02 6.524886671e+01 1.015941731e+02 1.169430939e+02 1.168738054e+02 4.137574298e+01 6.937280168e+01 1.061329183e+02 4.455935557e+01 6.988790242e+01 1.26 1.079857285e+02 5.996219862e+01 9.365214214e+01 1.078617070e+02 1.077827846e+02 3.805665647e+01 6.382494720e+01 9.777075900e+01 4.089606247e+01 6.429572375e+01 1.28 9.980741436e+01 5.514987354e+01 8.650782504e+01 9.971770476e+01 9.964800585e+01 3.506465107e+01 5.878607613e+01 9.028010305e+01 3.760947885e+01 5.922965563e+01 1.30 9.216759731e+01 5.072140711e+01 7.984508105e+01 9.213653220e+01 9.209487022e+01 3.227889160e+01 5.416293710e+01 8.324513644e+01 3.458793199e+01 5.450945833e+01 1.32 8.510858532e+01 4.665852122e+01 7.370717344e+01 8.514908387e+01 8.514680494e+01 2.971300783e+01 4.989124640e+01 7.683020237e+01 3.181999246e+01 5.019004753e+01 1.34 7.864719112e+01 4.295591266e+01 6.804582740e+01 7.874749046e+01 7.877682958e+01 2.735194655e+01 4.596031778e+01 7.098496384e+01 2.928002388e+01 4.628561989e+01 1.36 7.270358017e+01 3.956478819e+01 6.285021093e+01 7.284201866e+01 7.289625898e+01 2.518956790e+01 4.236562331e+01 6.559662909e+01 2.694384833e+01 4.274121543e+01 1.38 6.729786317e+01 3.645791666e+01 5.805677157e+01 6.743872667e+01 6.750837397e+01 2.322590034e+01 3.908153965e+01 6.074953936e+01 2.481594611e+01 3.953765049e+01 1.40 6.244027287e+01 3.361784446e+01 5.369590883e+01 6.254820067e+01 6.262308020e+01 2.145008234e+01 3.612104664e+01 5.627204475e+01 2.289341083e+01 3.665444472e+01 1.42 5.791398518e+01 3.101629203e+01 4.965921377e+01 5.796988058e+01 5.804121304e+01 1.980116747e+01 3.340100125e+01 5.214309560e+01 2.110171907e+01 3.395233078e+01 1.44 5.375293505e+01 2.863367573e+01 4.596253974e+01 5.375159078e+01 5.381001789e+01 1.828877087e+01 3.090629936e+01 4.837093440e+01 1.946063671e+01 3.144329493e+01 1.46 4.992032486e+01 2.645233571e+01 4.260302394e+01 4.987562750e+01 4.991496423e+01 1.691125079e+01 2.864284472e+01 4.484635172e+01 1.795878069e+01 2.912068950e+01 1.48 4.634684662e+01 2.445427166e+01 3.954183402e+01 4.628219449e+01 4.630045496e+01 1.565567000e+01 2.654884459e+01 4.162029207e+01 1.657425578e+01 2.695623629e+01 1.50 4.305280254e+01 2.262319574e+01 3.676973473e+01 4.298367098e+01 4.297867785e+01 1.451563222e+01 2.462449354e+01 3.861147176e+01 1.531552058e+01 2.496435136e+01 1.52 4.004270318e+01 2.095380251e+01 3.421784908e+01 3.998032720e+01 3.995154016e+01 1.347929784e+01 2.284950558e+01 3.584394592e+01 1.417212606e+01 2.314476985e+01 1.54 3.719343200e+01 1.940764344e+01 3.180538615e+01 3.714860719e+01 3.710076356e+01 1.249967228e+01 2.117067688e+01 3.330591130e+01 1.311144902e+01 2.143243799e+01 1.56 3.456297630e+01 1.797572178e+01 2.955865588e+01 3.453644189e+01 3.447463874e+01 1.158193321e+01 1.961449612e+01 3.093203738e+01 1.213337834e+01 1.984920838e+01 1.58 3.213950659e+01 1.664233774e+01 2.745279458e+01 3.212595527e+01 3.205626287e+01 1.070714031e+01 1.816381529e+01 2.876796346e+01 1.122837642e+01 1.838576367e+01 1.60 2.989413030e+01 1.540927389e+01 2.548508145e+01 2.989232315e+01 2.982630656e+01 9.884340493e+00 1.682323675e+01 2.675483032e+01 1.039373244e+01 1.703074416e+01 1.62 2.784835998e+01 1.427581500e+01 2.367543126e+01 2.785493305e+01 2.780122289e+01 9.121123780e+00 1.559675117e+01 2.490281477e+01 9.627353119e+00 1.579247363e+01 1.64 2.597199066e+01 1.323248192e+01 2.202539675e+01 2.598145157e+01 2.594556943e+01 8.414081636e+00 1.446616152e+01 2.322481753e+01 8.922280447e+00 1.465900835e+01 1.66 2.421665631e+01 1.226391397e+01 2.048300121e+01 2.422123449e+01 2.420359334e+01 7.751560407e+00 1.341921907e+01 2.163443545e+01 8.262030271e+00 1.360801440e+01 1.68 2.259941480e+01 1.136229720e+01 1.907538507e+01 2.259512178e+01 2.259444424e+01 7.144820037e+00 1.245748354e+01 2.017017800e+01 7.649928414e+00 1.265146630e+01 1.70 2.109883859e+01 1.052601465e+01 1.778827878e+01 2.108440497e+01 2.109728984e+01 6.591830421e+00 1.157240985e+01 1.879115718e+01 7.077938963e+00 1.177723179e+01 1.72 1.969208092e+01 9.742805204e+00 1.660325673e+01 1.967310224e+01 1.969705388e+01 6.086725818e+00 1.076104708e+01 1.748879716e+01 6.538785154e+00 1.097144442e+01 1.74 1.838419464e+01 9.016278236e+00 1.551295421e+01 1.837058404e+01 1.840420977e+01 5.632276398e+00 1.001203399e+01 1.629039035e+01 6.042759307e+00 1.023870910e+01 1.76 1.715034089e+01 8.342546192e+00 1.449971467e+01 1.715100082e+01 1.719268335e+01 5.221425490e+00 9.317392160e+00 1.515246076e+01 5.579735566e+00 9.560971837e+00 1.78 1.597117550e+01 7.722802529e+00 1.354448252e+01 1.599083792e+01 1.603846452e+01 4.841843873e+00 8.665030606e+00 1.409486765e+01 5.145888427e+00 8.924560882e+00 1.80 1.486848393e+01 7.161524363e+00 1.263869495e+01 1.490642882e+01 1.495639792e+01 4.491202173e+00 8.058363900e+00 1.311831387e+01 4.743267779e+00 8.327816370e+00 1.82 1.383811588e+01 6.655704743e+00 1.177970647e+01 1.389045008e+01 1.393962462e+01 4.161951571e+00 7.491011829e+00 1.221322990e+01 4.369701315e+00 7.759386503e+00 1.84 1.288387959e+01 6.200059844e+00 1.096522339e+01 1.294473692e+01 1.299023757e+01 3.850557192e+00 6.959222649e+00 1.139771004e+01 4.027214622e+00 7.225999410e+00 1.86 1.202559693e+01 5.787461437e+00 1.020775908e+01 1.208704982e+01 1.212540972e+01 3.558171544e+00 6.468115668e+00 1.064897076e+01 3.718727745e+00 6.729937174e+00 1.88 1.123905446e+01 5.412189270e+00 9.484831787e+00 1.129174056e+01 1.131955206e+01 3.274561176e+00 6.010043136e+00 9.966316635e+00 3.434513369e+00 6.257148052e+00 1.90 1.051980573e+01 5.063296694e+00 8.807402926e+00 1.055631400e+01 1.057140746e+01 3.003572725e+00 5.580146558e+00 9.342101985e+00 3.171198880e+00 5.807193399e+00 1.92 9.864922241e+00 4.735295016e+00 8.186236751e+00 9.881013433e+00 9.882594857e+00 2.747937739e+00 5.187083450e+00 8.755624432e+00 2.927768793e+00 5.384099141e+00 1.94 9.263313388e+00 4.421375624e+00 7.616010377e+00 9.257659864e+00 9.245919628e+00 2.507903828e+00 4.823139795e+00 8.214874784e+00 2.700505420e+00 4.986871071e+00 1.96 8.705900294e+00 4.117470325e+00 7.095648020e+00 8.679963187e+00 8.655785644e+00 2.284280122e+00 4.492217111e+00 7.694341500e+00 2.486916381e+00 4.616786657e+00 1.98 8.189140986e+00 3.827053517e+00 6.632193496e+00 8.148117084e+00 8.114071401e+00 2.083014925e+00 4.190851943e+00 7.204276753e+00 2.286428056e+00 4.276855756e+00 2.00 7.688205911e+00 3.545430501e+00 6.208241780e+00 7.638114253e+00 7.596938609e+00 1.895985254e+00 3.909317978e+00 6.741791093e+00 2.095157550e+00 3.957235174e+00 2.02 7.204672432e+00 3.275065732e+00 5.813543800e+00 7.150854851e+00 7.105486825e+00 1.722284437e+00 3.646592198e+00 6.295538071e+00 1.914600028e+00 3.660629067e+00 2.04 6.743922245e+00 3.016396684e+00 5.448955888e+00 6.690512564e+00 6.643683560e+00 1.563211938e+00 3.395687603e+00 5.878082344e+00 1.745193025e+00 3.388207848e+00 2.06 6.302007442e+00 2.773098239e+00 5.109440076e+00 6.252923730e+00 6.207878969e+00 1.416092637e+00 3.154613415e+00 5.477143297e+00 1.588830643e+00 3.134809205e+00 2.08 5.881661421e+00 2.541181266e+00 4.790822362e+00 5.840151152e+00 5.800167516e+00 1.279580036e+00 2.925627519e+00 5.099529360e+00 1.438412900e+00 2.899108416e+00 2.10 5.490522503e+00 2.321813258e+00 4.492781123e+00 5.458550602e+00 5.426305467e+00 1.153190201e+00 2.706143974e+00 4.752346321e+00 1.300785665e+00 2.682682969e+00 2.12 5.113837729e+00 2.120830499e+00 4.207680746e+00 5.092702646e+00 5.070370868e+00 1.033138095e+00 2.495413542e+00 4.421191990e+00 1.171965392e+00 2.475498426e+00 2.14 4.759422876e+00 1.937924481e+00 3.942389154e+00 4.749497724e+00 4.738136701e+00 9.218548052e-01 2.293039527e+00 4.114411086e+00 1.052559358e+00 2.278836256e+00 2.16 4.427224913e+00 1.776008827e+00 3.693654348e+00 4.428422943e+00 4.428310552e+00 8.192853550e-01 2.102793452e+00 3.827258223e+00 9.418687399e-01 2.092816044e+00 2.18 4.117725505e+00 1.632679572e+00 3.462573782e+00 4.129032556e+00 4.139361759e+00 7.253259943e-01 1.922921009e+00 3.559633345e+00 8.384924759e-01 1.918569501e+00 2.20 3.833913806e+00 1.506610198e+00 3.247565967e+00 3.853492615e+00 3.872495585e+00 6.397515313e-01 1.754306688e+00 3.316951738e+00 7.424038215e-01 1.758919925e+00 2.22 3.577566935e+00 1.395270349e+00 3.041074933e+00 3.602707999e+00 3.627606062e+00 5.618610006e-01 1.598747288e+00 3.090652231e+00 6.539062922e-01 1.616019266e+00 2.24 3.339354510e+00 1.294641298e+00 2.843115202e+00 3.367535337e+00 3.395649032e+00 4.882348816e-01 1.453705801e+00 2.881427168e+00 5.703013479e-01 1.485563811e+00 2.26 3.120596968e+00 1.203546406e+00 2.655860125e+00 3.149902082e+00 3.179200566e+00 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