# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = Ni # 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 2024-11-27 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 2.184847078e+04 nan 0.74 nan nan nan nan nan nan nan nan 1.964759108e+04 nan 0.76 nan nan nan nan nan nan nan nan 1.769097096e+04 nan 0.78 nan nan nan nan nan 1.360743465e+04 nan nan 1.594697442e+04 nan 0.80 nan nan nan nan nan 1.226149574e+04 nan nan 1.438847494e+04 nan 0.82 nan nan nan nan nan 1.105610412e+04 nan nan 1.299284768e+04 nan 0.84 nan nan nan nan nan 9.974515126e+03 nan nan 1.173990957e+04 nan 0.86 nan nan nan nan nan 9.001786486e+03 nan nan 1.061232663e+04 nan 0.88 nan nan nan 2.239542830e+04 2.239573686e+04 8.125527066e+03 nan nan 9.595721318e+03 1.432077447e+04 0.90 nan 1.284944876e+04 nan 2.051580035e+04 2.051586534e+04 7.334492242e+03 1.321183149e+04 nan 8.677486399e+03 1.304459937e+04 0.92 nan 1.169938240e+04 nan 1.880998677e+04 1.880992130e+04 6.619201517e+03 1.204065162e+04 nan 7.846596502e+03 1.188758590e+04 0.94 nan 1.065596444e+04 nan 1.725897884e+04 1.725880292e+04 5.971997545e+03 1.097729178e+04 nan 7.093593500e+03 1.083706495e+04 0.96 nan 9.707812577e+03 nan 1.584661591e+04 1.584633863e+04 5.385362116e+03 1.000987836e+04 nan 6.410382329e+03 9.881869570e+03 0.98 nan 8.845017887e+03 nan 1.455861506e+04 1.455829168e+04 4.852681793e+03 9.128630089e+03 1.341595086e+04 5.789641074e+03 9.011628709e+03 1.00 1.338287261e+04 8.058604376e+03 1.186688606e+04 1.338244738e+04 1.338231403e+04 4.368169584e+03 8.324644891e+03 1.231654417e+04 5.224778403e+03 8.217524896e+03 1.02 1.230651162e+04 7.340658404e+03 1.089218456e+04 1.230650212e+04 1.230662521e+04 3.926837262e+03 7.589988741e+03 1.131107033e+04 4.710085353e+03 7.492417195e+03 1.04 1.132031485e+04 6.684225205e+03 9.999568059e+03 1.132077608e+04 1.132109950e+04 3.524177745e+03 6.917917274e+03 1.039035564e+04 4.240540206e+03 6.829296386e+03 1.06 1.041597077e+04 6.083194937e+03 9.181047900e+03 1.041662291e+04 1.041709883e+04 3.156359759e+03 6.302351717e+03 9.546208433e+03 3.811576411e+03 6.221973478e+03 1.08 9.585448379e+03 5.531896097e+03 8.429023488e+03 9.586215145e+03 9.586737326e+03 2.819816314e+03 5.737818564e+03 8.771206468e+03 3.419245421e+03 5.665508797e+03 1.10 8.821778563e+03 5.025741806e+03 7.737519650e+03 8.822380136e+03 8.822855230e+03 2.511547607e+03 5.219580191e+03 8.058732216e+03 3.060034919e+03 5.155093550e+03 1.12 8.118585457e+03 4.560502641e+03 7.100962659e+03 8.118823418e+03 8.119203157e+03 2.229019795e+03 4.743602154e+03 7.402645936e+03 2.730801210e+03 4.686259032e+03 1.14 7.470088099e+03 4.132473106e+03 6.514182178e+03 7.470149474e+03 7.470441244e+03 1.969723995e+03 4.306071890e+03 6.797629764e+03 2.428754784e+03 4.255012658e+03 1.16 6.871323631e+03 3.738106198e+03 5.972918451e+03 6.871350628e+03 6.871538063e+03 1.731365238e+03 3.903361725e+03 6.239157936e+03 2.151369068e+03 3.857794809e+03 1.18 6.317705256e+03 3.374446767e+03 5.473027250e+03 6.317812392e+03 6.317967010e+03 1.511985369e+03 3.532233285e+03 5.723140651e+03 1.896339119e+03 3.491634091e+03 1.20 5.805430228e+03 3.038978491e+03 5.010612792e+03 5.805629688e+03 5.805824196e+03 1.309752674e+03 3.189923522e+03 5.245841544e+03 1.661633735e+03 3.153959495e+03 1.22 5.330958759e+03 2.729178083e+03 4.582395614e+03 5.331256350e+03 5.331487696e+03 1.123036106e+03 2.873932107e+03 4.803979593e+03 1.445441529e+03 2.842293033e+03 1.24 4.891082452e+03 2.442961202e+03 4.185734945e+03 4.891468158e+03 4.891694578e+03 9.505255655e+02 2.582042670e+03 4.394615503e+03 1.246117919e+03 2.554320542e+03 1.26 4.483154692e+03 2.178394720e+03 3.818062632e+03 4.483474065e+03 4.483654183e+03 7.910668405e+02 2.312216580e+03 4.015174654e+03 1.062223571e+03 2.288008036e+03 1.28 4.104554071e+03 1.933520007e+03 3.476951262e+03 4.104716240e+03 4.104853234e+03 6.436219471e+02 2.062494092e+03 3.663136182e+03 8.923498933e+02 2.041531096e+03 1.30 3.752784721e+03 1.706687602e+03 3.160129805e+03 3.752865998e+03 3.752982403e+03 5.070415352e+02 1.831185532e+03 3.336240168e+03 7.352439798e+02 1.813285766e+03 1.32 3.425734165e+03 1.496613595e+03 2.865818694e+03 3.425796456e+03 3.425889615e+03 3.905072111e+02 1.616792539e+03 3.032502584e+03 5.898501012e+02 1.601807081e+03 1.34 3.121540990e+03 1.301980072e+03 2.592409993e+03 3.121530498e+03 3.121570816e+03 3.022460858e+02 1.417939693e+03 2.750075977e+03 4.557457031e+02 1.405799854e+03 1.36 2.838308551e+03 1.121443297e+03 2.338116781e+03 2.838229127e+03 2.838205184e+03 2.351763597e+02 1.233434232e+03 2.487243472e+03 3.475832332e+02 1.223888712e+03 1.38 2.574344007e+03 9.539370028e+02 2.101384907e+03 2.574254054e+03 2.574204398e+03 1.839931810e+02 1.062118060e+03 2.242423055e+03 2.659220513e+02 1.054846920e+03 1.40 2.328206621e+03 7.985802471e+02 1.880841033e+03 2.328155738e+03 2.328128043e+03 1.447531654e+02 9.028954186e+02 2.014279561e+03 2.040802799e+02 8.975890759e+02 1.42 2.098684789e+03 6.544044690e+02 1.675300098e+03 2.098626174e+03 2.098622644e+03 1.145205010e+02 7.547690231e+02 1.801617420e+03 1.570875029e+02 7.511138458e+02 1.44 1.884480143e+03 5.204365895e+02 1.483769786e+03 1.884423589e+03 1.884454830e+03 9.111037519e+01 6.168694765e+02 1.603233331e+03 1.212699362e+02 6.145734522e+02 1.46 1.684347714e+03 3.998396758e+02 1.305213244e+03 1.684363869e+03 1.684441834e+03 7.287867931e+01 4.884555656e+02 1.418066815e+03 9.388962127e+01 4.873655355e+02 1.48 1.497233012e+03 3.059929433e+02 1.138593924e+03 1.497401653e+03 1.497528025e+03 5.858163054e+01 3.774215166e+02 1.245190373e+03 7.288752176e+01 3.781479554e+02 1.50 1.322277498e+03 2.342518752e+02 9.830692353e+02 1.322624595e+03 1.322792175e+03 4.729012731e+01 2.918912611e+02 1.083760752e+03 5.671225024e+01 2.938814700e+02 1.52 1.158839561e+03 1.793366551e+02 8.378355172e+02 1.159227171e+03 1.159412126e+03 3.830293132e+01 2.259591950e+02 9.330266124e+02 4.420746400e+01 2.287467099e+02 1.54 1.006113984e+03 1.372134273e+02 7.020849977e+02 1.006408622e+03 1.006590041e+03 3.109185068e+01 1.750401426e+02 7.921962109e+02 3.450438616e+01 1.782742302e+02 1.56 8.632112080e+02 1.048594275e+02 5.751400340e+02 8.634021280e+02 8.635688716e+02 2.526244325e+01 1.356351694e+02 6.605195525e+02 2.694028919e+01 1.390462927e+02 1.58 7.294631745e+02 7.999355716e+01 4.565919435e+02 7.295502554e+02 7.296852822e+02 2.051609654e+01 1.050898724e+02 5.373515147e+02 2.101083675e+01 1.084816426e+02 1.60 6.042420690e+02 6.087303761e+01 3.568766241e+02 6.042473475e+02 6.043503439e+02 1.662464396e+01 8.136232256e+01 4.237121178e+02 1.633346114e+01 8.460632270e+01 1.62 4.869173423e+02 4.616372975e+01 2.790556588e+02 4.869046605e+02 4.869935484e+02 1.341168970e+01 6.286864134e+01 3.317292579e+02 1.261592595e+01 6.590698280e+01 1.64 3.832263035e+02 3.483324949e+01 2.181754565e+02 3.832178877e+02 3.832839504e+02 1.074147516e+01 4.841374688e+01 2.596279644e+02 9.635449829e+00 5.123019349e+01 1.66 3.014026307e+02 2.608714814e+01 1.704818422e+02 3.013814569e+02 3.014203070e+02 8.509397677e+00 3.709415447e+01 2.030324242e+02 7.229198674e+00 3.968546200e+01 1.68 2.369118077e+02 1.932993466e+01 1.330921711e+02 2.368814379e+02 2.368964852e+02 6.634370260e+00 2.821900136e+01 1.585544680e+02 5.276597065e+00 3.057930547e+01 1.70 1.860158033e+02 1.410951730e+01 1.037489914e+02 1.859968834e+02 1.859940512e+02 5.052833779e+00 2.125680915e+01 1.235782987e+02 3.684219838e+00 2.337932155e+01 1.72 1.458326701e+02 1.007872958e+01 8.068992550e+01 1.458298088e+02 1.458150133e+02 3.714958745e+00 1.579553755e+01 9.607531288e+01 2.379099781e+00 1.767911187e+01 1.74 1.141023434e+02 6.967427824e+00 6.254405040e+01 1.141076293e+02 1.140901592e+02 2.580842400e+00 1.151344114e+01 7.445223142e+01 1.304475708e+00 1.316433512e+01 1.76 8.903141684e+01 4.563610583e+00 4.824889517e+01 8.904710364e+01 8.903951083e+01 1.618829673e+00 8.160491352e+00 5.745547996e+01 4.165084980e-01 9.589486999e+00 1.78 6.921787636e+01 2.698892099e+00 3.698660585e+01 6.924742710e+01 6.925569868e+01 8.054430853e-01 5.541881817e+00 4.410580173e+01 -3.174693176e-01 6.763922344e+00 1.80 5.357389724e+01 1.238868610e+00 2.812030697e+01 5.361156361e+01 5.363245592e+01 1.211295688e-01 3.504126624e+00 3.363754955e+01 -9.229158527e-01 4.537740368e+00 1.82 4.124655101e+01 8.615912228e-02 2.115084846e+01 4.128123115e+01 4.130791654e+01 -4.513736120e-01 1.926071806e+00 2.544835491e+01 -1.420699819e+00 2.791539936e+00 1.84 3.155028274e+01 -8.268007934e-01 1.567968700e+01 3.157495545e+01 3.160202682e+01 -9.264241493e-01 7.108520928e-01 1.905785845e+01 -1.828139145e+00 1.429415031e+00 1.86 2.393495579e+01 -1.551001793e+00 1.139003813e+01 2.394952731e+01 2.397408848e+01 -1.315471723e+00 -2.195597006e-01 1.408338705e+01 -2.159832810e+00 3.750693737e-01 1.88 1.796731694e+01 -2.125519764e+00 8.034296805e+00 1.797533272e+01 1.799585930e+01 -1.629062192e+00 -9.293112586e-01 1.022185403e+01 -2.428697246e+00 -4.334670515e-01 1.90 1.330538465e+01 -2.581151341e+00 5.417521874e+00 1.331035021e+01 1.332587118e+01 -1.878337651e+00 -1.471434735e+00 7.231677614e+00 -2.646195020e+00 -1.047429770e+00 1.92 9.676277236e+00 -2.942228644e+00 3.384175157e+00 9.679484018e+00 9.689242141e+00 -2.074764188e+00 -1.886848504e+00 4.918569353e+00 -2.822057427e+00 -1.509336937e+00 1.94 6.859924323e+00 -3.228121100e+00 1.808053251e+00 6.861138195e+00 6.864662517e+00 -2.229436365e+00 -2.207340419e+00 3.124433202e+00 -2.963881125e+00 -1.855184910e+00 1.96 4.677392569e+00 -3.454458653e+00 5.865953621e-01 4.676075810e+00 4.673337541e+00 -2.351657538e+00 -2.458424769e+00 1.722164674e+00 -3.078230495e+00 -2.115578234e+00 1.98 2.982609538e+00 -3.634569054e+00 -3.636432962e-01 2.978124242e+00 2.969373845e+00 -2.450266320e+00 -2.660366482e+00 6.200487614e-01 -3.171390721e+00 -2.317178193e+00 2.00 1.655237740e+00 -3.780096915e+00 -1.111612162e+00 1.646595147e+00 1.632196919e+00 -2.534808731e+00 -2.829920686e+00 -2.538050227e-01 -3.249953364e+00 -2.484073771e+00 2.02 5.982135969e-01 -3.900150638e+00 -1.711226672e+00 5.844242720e-01 5.649710181e-01 -2.612860120e+00 -2.979992070e+00 -9.569337846e-01 -3.319881177e+00 -2.635692569e+00 2.04 -2.516657176e-01 -3.999645464e+00 -2.194738512e+00 -2.709242580e-01 -2.943925497e-01 -2.685445387e+00 -3.115449442e+00 -1.529711885e+00 -3.382385569e+00 -2.778854345e+00 2.06 -9.409073984e-01 -4.081354617e+00 -2.584826337e+00 -9.646768819e-01 -9.905902957e-01 -2.751975485e+00 -3.238294594e+00 -2.001528059e+00 -3.437342843e+00 -2.915067786e+00 2.08 -1.505904309e+00 -4.147452643e+00 -2.900037317e+00 -1.532221181e+00 -1.558799414e+00 -2.811877924e+00 -3.349912129e+00 -2.394029375e+00 -3.484550268e+00 -3.044774100e+00 2.10 -1.973679157e+00 -4.199963932e+00 -3.155487343e+00 -2.000375080e+00 -2.026060103e+00 -2.864656063e+00 -3.451333410e+00 -2.723363499e+00 -3.523929456e+00 -3.167781834e+00 2.12 -2.364741101e+00 -4.240401732e+00 -3.363522317e+00 -2.389880115e+00 -2.413498667e+00 -2.910268154e+00 -3.543625003e+00 -3.001794481e+00 -3.555527058e+00 -3.283469045e+00 2.14 -2.694951782e+00 -4.269985406e+00 -3.533885547e+00 -2.716876693e+00 -2.737464973e+00 -2.949231110e+00 -3.627702580e+00 -3.238786228e+00 -3.579009690e+00 -3.390831941e+00 2.16 -2.975665406e+00 -4.289740135e+00 -3.674323580e+00 -2.993316645e+00 -3.010079536e+00 -2.982470662e+00 -3.704232343e+00 -3.441650017e+00 -3.594032204e+00 -3.488664837e+00 2.18 -3.215640575e+00 -4.300174461e+00 -3.791272926e+00 -3.228533709e+00 -3.240884969e+00 -3.010863873e+00 -3.773498357e+00 -3.616174957e+00 -3.600688840e+00 -3.576470496e+00 2.20 -3.421820380e+00 -4.301476192e+00 -3.889177218e+00 -3.429682953e+00 -3.437198927e+00 -3.034679867e+00 -3.835526496e+00 -3.766680992e+00 -3.599300050e+00 -3.654510021e+00 2.22 -3.599762016e+00 -4.293865711e+00 -3.971071947e+00 -3.602287405e+00 -3.604613436e+00 -3.053979761e+00 -3.890449207e+00 -3.896233275e+00 -3.590485786e+00 -3.723590263e+00 2.24 -3.753801217e+00 -4.277625959e+00 -4.039378469e+00 -3.750785672e+00 -3.747686454e+00 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