# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr # implementation = 2011--Bonny-G--Fe-Ni-Cr--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 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 3.087638831e+03 nan 0.74 nan nan nan nan nan nan nan nan 2.793849821e+03 nan 0.76 nan nan nan nan nan nan nan nan 2.531918587e+03 nan 0.78 nan nan nan nan nan 1.958646969e+03 nan nan 2.297591647e+03 nan 0.80 nan nan nan nan nan 1.775489111e+03 nan nan 2.087375150e+03 nan 0.82 nan nan nan nan nan 1.610808816e+03 nan nan 1.898260951e+03 nan 0.84 nan nan nan nan nan 1.462573778e+03 nan nan 1.727541211e+03 nan 0.86 nan nan nan nan nan 1.328963290e+03 nan nan 1.573006444e+03 nan 0.88 nan nan nan 3.182169235e+03 3.182270351e+03 1.208427274e+03 nan nan 1.432873344e+03 2.086226686e+03 0.90 nan 1.890163118e+03 nan 2.929294709e+03 2.929122224e+03 1.099655731e+03 1.938241630e+03 nan 1.305605881e+03 1.912996944e+03 0.92 nan 1.733070779e+03 nan 2.699095916e+03 2.698744426e+03 1.001516378e+03 1.779477070e+03 nan 1.189868704e+03 1.754912466e+03 0.94 nan 1.590204454e+03 nan 2.489319466e+03 2.488866242e+03 9.129819434e+02 1.634468024e+03 nan 1.084574586e+03 1.610489321e+03 0.96 nan 1.460124441e+03 nan 2.297999877e+03 2.297528035e+03 8.330208784e+02 1.501634221e+03 nan 9.887758466e+02 1.478409077e+03 0.98 nan 1.341514392e+03 nan 2.123307929e+03 2.122902666e+03 7.607038083e+02 1.379712356e+03 1.968304972e+03 9.015837712e+02 1.357476176e+03 1.00 1.963806326e+03 1.233138515e+03 1.757790261e+03 1.963551720e+03 1.963297421e+03 6.952038473e+02 1.267703713e+03 1.818579567e+03 8.221793684e+02 1.246641366e+03 1.02 1.817179833e+03 1.133857353e+03 1.625430414e+03 1.817162735e+03 1.817109138e+03 6.357615263e+02 1.164722911e+03 1.681413368e+03 7.498263360e+02 1.145010717e+03 1.04 1.682628729e+03 1.042689874e+03 1.503737962e+03 1.682816114e+03 1.682948602e+03 5.816711350e+02 1.069995063e+03 1.555585770e+03 6.838483157e+02 1.051788923e+03 1.06 1.559037560e+03 9.587561035e+02 1.391505728e+03 1.559318708e+03 1.559567426e+03 5.323103711e+02 9.828135367e+02 1.439969477e+03 6.236213890e+02 9.662535423e+02 1.08 1.445300411e+03 8.812446392e+02 1.287793634e+03 1.445597395e+03 1.445888453e+03 4.872013954e+02 9.025714034e+02 1.333517729e+03 5.686051935e+02 8.877680034e+02 1.10 1.340417635e+03 8.095398728e+02 1.191887754e+03 1.340684633e+03 1.340967815e+03 4.459587864e+02 8.287191432e+02 1.235284274e+03 5.183207386e+02 8.157074926e+02 1.12 1.243515330e+03 7.431359358e+02 1.103108069e+03 1.243723737e+03 1.243964617e+03 4.082274274e+02 7.607512548e+02 1.144394826e+03 4.723279240e+02 7.494894523e+02 1.14 1.153769823e+03 6.816031018e+02 1.020825075e+03 1.153928789e+03 1.154115177e+03 3.736546381e+02 6.981849806e+02 1.060087251e+03 4.302345156e+02 6.885766117e+02 1.16 1.070415564e+03 6.245598827e+02 9.445028405e+02 1.070541827e+03 1.070680632e+03 3.419118858e+02 6.405693919e+02 9.817220557e+02 3.916899884e+02 6.324613415e+02 1.18 9.927982487e+02 5.716738311e+02 8.736369452e+02 9.929157435e+02 9.930296212e+02 3.127065626e+02 5.874973788e+02 9.088231545e+02 3.563619624e+02 5.807079516e+02 1.20 9.204983933e+02 5.226630411e+02 8.077475483e+02 9.206121475e+02 9.207129836e+02 2.857592828e+02 5.386019260e+02 8.409922519e+02 3.239430962e+02 5.329831888e+02 1.22 8.531449164e+02 4.772398140e+02 7.463975756e+02 8.532447614e+02 8.533283072e+02 2.608013752e+02 4.935308659e+02 7.778673327e+02 2.941481493e+02 4.889743809e+02 1.24 7.903842860e+02 4.351490225e+02 6.892015348e+02 7.904567285e+02 7.905120990e+02 2.375900938e+02 4.519536110e+02 7.191106150e+02 2.667070370e+02 4.483831790e+02 1.26 7.319015397e+02 3.961574298e+02 6.358514443e+02 7.319287183e+02 7.319473605e+02 2.159624648e+02 4.135834177e+02 6.644112431e+02 2.414034118e+02 4.109351450e+02 1.28 6.773814878e+02 3.600418750e+02 5.860962897e+02 6.773594094e+02 6.773421821e+02 1.958087707e+02 3.781545485e+02 6.134633094e+02 2.180511582e+02 3.763685947e+02 1.30 6.265262894e+02 3.266073894e+02 5.397049988e+02 6.264703580e+02 6.264256353e+02 1.770194111e+02 3.454212588e+02 5.659880411e+02 1.964784107e+02 3.444465135e+02 1.32 5.790810808e+02 2.956947423e+02 4.964773399e+02 5.790077799e+02 5.789448046e+02 1.595013551e+02 3.151534380e+02 5.217359548e+02 1.765332291e+02 3.149532593e+02 1.34 5.348119419e+02 2.671456903e+02 4.562250214e+02 5.347295620e+02 5.346570777e+02 1.431775284e+02 2.871335528e+02 4.804696262e+02 1.580692456e+02 2.876847249e+02 1.36 4.934857169e+02 2.407996174e+02 4.187453143e+02 4.934055051e+02 4.933328647e+02 1.279659190e+02 2.611593107e+02 4.419724291e+02 1.409554419e+02 2.624335747e+02 1.38 4.548865400e+02 2.165128924e+02 3.838549558e+02 4.548211278e+02 4.547592136e+02 1.137909165e+02 2.370379128e+02 4.060495334e+02 1.251040955e+02 2.390064300e+02 1.40 4.188150488e+02 1.941561083e+02 3.513874193e+02 4.187755575e+02 4.187344600e+02 1.005826986e+02 2.146225466e+02 3.725278203e+02 1.104309751e+02 2.172242101e+02 1.42 3.850955941e+02 1.735945481e+02 3.211864320e+02 3.850837556e+02 3.850677575e+02 8.827506809e+01 1.937992113e+02 3.412525817e+02 9.685293195e+01 1.969170576e+02 1.44 3.535672885e+02 1.546942041e+02 2.931108960e+02 3.535842485e+02 3.535949414e+02 7.680911166e+01 1.744646213e+02 3.120778406e+02 8.429451347e+01 1.779506140e+02 1.46 3.241012186e+02 1.373356273e+02 2.670210863e+02 3.241462987e+02 3.241816708e+02 6.612839711e+01 1.565249405e+02 2.848813309e+02 7.268600318e+01 1.602529413e+02 1.48 2.965830595e+02 1.214089658e+02 2.427761394e+02 2.966501320e+02 2.967037911e+02 5.617480399e+01 1.398914168e+02 2.595500588e+02 6.195946085e+01 1.437543104e+02 1.50 2.709063056e+02 1.068108878e+02 2.202537779e+02 2.709846926e+02 2.710473686e+02 4.690010432e+01 1.244756773e+02 2.359743178e+02 5.204835691e+01 1.283754283e+02 1.52 2.469784849e+02 9.343298663e+01 1.993496104e+02 2.470494331e+02 2.471114689e+02 3.830293132e+01 1.101963202e+02 2.140509338e+02 4.289375836e+01 1.140496090e+02 1.54 2.246952329e+02 8.116554498e+01 1.799649480e+02 2.247447527e+02 2.247990066e+02 3.109185068e+01 9.697632828e+01 1.936742260e+02 3.444254376e+01 1.007152670e+02 1.56 2.039445625e+02 6.991227065e+01 1.620067653e+02 2.039724814e+02 2.040150641e+02 2.526244325e+01 8.473786921e+01 1.747424954e+02 2.694028919e+01 8.831040117e+01 1.58 1.846318748e+02 5.958665167e+01 1.453903881e+02 1.846413292e+02 1.846698103e+02 2.051609654e+01 7.340882372e+01 1.571622638e+02 2.101083674e+01 7.677988153e+01 1.60 1.666687987e+02 5.010581193e+01 1.300348503e+02 1.666645146e+02 1.666790411e+02 1.662464396e+01 6.291950086e+01 1.408457541e+02 1.633346114e+01 6.607155976e+01 1.62 1.499666295e+02 4.139235700e+01 1.158499776e+02 1.499565050e+02 1.499597964e+02 1.341168970e+01 5.319920817e+01 1.257142237e+02 1.261592595e+01 5.613387807e+01 1.64 1.344460314e+02 3.337008984e+01 1.027413421e+02 1.344353006e+02 1.344302707e+02 1.074147516e+01 4.419285072e+01 1.116925110e+02 9.635449829e+00 4.692023475e+01 1.66 1.200341577e+02 2.597043275e+01 9.062555074e+01 1.200242190e+02 1.200137619e+02 8.509397677e+00 3.585504733e+01 9.871127271e+01 7.229198674e+00 3.838670921e+01 1.68 1.066630067e+02 1.932993466e+01 7.942880149e+01 1.066555224e+02 1.066430212e+02 6.634370261e+00 2.814511006e+01 8.670580981e+01 5.276597065e+00 3.048774218e+01 1.70 9.426857580e+01 1.410951730e+01 6.907696479e+01 9.426725328e+01 9.425603903e+01 5.052833779e+00 2.125680915e+01 7.561535693e+01 3.684219838e+00 2.337932155e+01 1.72 8.279451600e+01 1.007872958e+01 5.949688626e+01 8.280109613e+01 8.279354687e+01 3.714958744e+00 1.579553755e+01 6.538400389e+01 2.379099781e+00 1.767911187e+01 1.74 7.218819331e+01 6.967427825e+00 5.061860445e+01 7.220088831e+01 7.219873118e+01 2.580842400e+00 1.151344114e+01 5.595694912e+01 1.304475708e+00 1.316433512e+01 1.76 6.239430313e+01 4.563610583e+00 4.238414892e+01 6.241201203e+01 6.241729581e+01 1.618829673e+00 8.160491351e+00 4.727868639e+01 4.165084979e-01 9.589486998e+00 1.78 5.335786238e+01 2.698892099e+00 3.475147341e+01 5.338069602e+01 5.339451479e+01 8.054430855e-01 5.541881817e+00 3.929486988e+01 -3.174693175e-01 6.763922345e+00 1.80 4.502845583e+01 1.238868610e+00 2.768253104e+01 4.505492761e+01 4.507597732e+01 1.211295688e-01 3.504126624e+00 3.195373936e+01 -9.229158527e-01 4.537740368e+00 1.82 3.736098018e+01 8.615912217e-02 2.115084846e+01 3.738682123e+01 3.741191373e+01 -4.513736122e-01 1.926071806e+00 2.520644167e+01 -1.420699819e+00 2.791539936e+00 1.84 3.030803219e+01 -8.268007934e-01 1.567968700e+01 3.032889956e+01 3.035469805e+01 -9.264241493e-01 7.108520929e-01 1.905785845e+01 -1.828139145e+00 1.429415031e+00 1.86 2.381798909e+01 -1.551001793e+00 1.139003813e+01 2.383198125e+01 2.385609860e+01 -1.315471723e+00 -2.195597007e-01 1.408338705e+01 -2.159832810e+00 3.750693736e-01 1.88 1.796731694e+01 -2.125519764e+00 8.034296805e+00 1.797533272e+01 1.799585930e+01 -1.629062191e+00 -9.293112586e-01 1.022185403e+01 -2.428697245e+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 7.231677615e+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 -1.886848503e+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 3.124433205e+00 -2.963881125e+00 -1.855184910e+00 1.96 4.677392569e+00 -3.454458653e+00 5.865953620e-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 -3.634569055e+00 -3.636432962e-01 2.978124242e+00 2.969373845e+00 -2.450266320e+00 -2.660366482e+00 6.200487615e-01 -3.171390721e+00 -2.317178193e+00 2.00 1.655237758e+00 -3.780096913e+00 -1.111612149e+00 1.646595165e+00 1.632196937e+00 -2.534808725e+00 -2.829920680e+00 -2.538050167e-01 -3.249953359e+00 -2.484073762e+00 2.02 5.982135972e-01 -3.900150638e+00 -1.711226671e+00 5.844242723e-01 5.649710184e-01 -2.612860120e+00 -2.979992070e+00 -9.569337846e-01 -3.319881177e+00 -2.635692569e+00 2.04 -2.516657175e-01 -3.999645464e+00 -2.194738512e+00 -2.709242579e-01 -2.943925496e-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 -9.646768818e-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 -2.900037318e+00 -1.532221181e+00 -1.558799414e+00 -2.811877924e+00 -3.349912128e+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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