# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoNi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 2.986080227e+04 nan nan 1.02 2.349954876e+04 nan nan 1.04 1.857519904e+04 nan nan 1.06 1.474481924e+04 nan nan 1.08 1.175160817e+04 nan nan 1.10 9.402217471e+03 2.393650718e+04 nan 1.12 7.550309223e+03 1.924291640e+04 2.567231109e+04 1.14 6.084567081e+03 1.552596446e+04 2.071881345e+04 1.16 4.919904271e+03 1.257069979e+04 1.677987468e+04 1.18 3.990978215e+03 1.021201796e+04 1.363563746e+04 1.20 3.247382740e+03 8.322527987e+03 1.111645747e+04 1.22 2.650063603e+03 6.803508895e+03 9.090862022e+03 1.24 2.168635422e+03 5.578133991e+03 7.456530584e+03 1.26 1.779360880e+03 4.586371701e+03 6.133506424e+03 1.28 1.463624216e+03 3.781128755e+03 5.059061915e+03 1.30 1.206770113e+03 3.125319472e+03 4.183797111e+03 1.32 9.972193835e+02 2.589632204e+03 3.468663856e+03 1.34 8.257910052e+02 2.150817184e+03 2.882686702e+03 1.36 6.851800494e+02 1.790368198e+03 2.401208028e+03 1.38 5.695551466e+02 1.493505854e+03 2.004534243e+03 1.40 4.742458577e+02 1.248389129e+03 1.676885336e+03 1.42 3.955003313e+02 1.045500803e+03 1.405576916e+03 1.44 3.302960736e+02 8.771678809e+02 1.180382096e+03 1.46 2.761906502e+02 7.371865007e+02 9.930313408e+02 1.48 2.312046221e+02 6.205264527e+02 8.368182549e+02 1.50 1.937296454e+02 5.230981154e+02 7.062890552e+02 1.52 1.624552567e+02 4.415671800e+02 5.969967784e+02 1.54 1.363107452e+02 3.732080596e+02 5.053057224e+02 1.56 1.144193111e+02 3.157870065e+02 4.282353131e+02 1.58 9.606147053e+01 2.674687352e+02 3.633364512e+02 1.60 8.064545754e+01 2.267420897e+02 3.085918091e+02 1.62 6.768315023e+01 1.923596831e+02 2.623359197e+02 1.64 5.677093641e+01 1.632890291e+02 2.231902657e+02 1.66 4.757460898e+01 1.386739220e+02 1.900116076e+02 1.68 3.981692685e+01 1.178029148e+02 1.618498690e+02 1.70 3.326743892e+01 1.000836460e+02 1.379138410e+02 1.72 2.773398958e+01 8.502202266e+01 1.175433717e+02 1.74 2.305610834e+01 7.220520983e+01 1.001862584e+02 1.76 1.909967728e+01 6.128750367e+01 8.537986393e+01 1.78 1.575244075e+01 5.197869453e+01 7.273597257e+01 1.80 1.292033709e+01 4.403485065e+01 6.192828259e+01 1.82 1.052439834e+01 3.725068291e+01 5.268213062e+01 1.84 8.498033553e+00 3.145303643e+01 4.476600838e+01 1.86 6.785024034e+00 2.649568566e+01 3.798414891e+01 1.88 5.337908206e+00 2.225503540e+01 3.217054797e+01 1.90 4.116612588e+00 1.862650355e+01 2.718449915e+01 1.92 3.087301818e+00 1.552151055e+01 2.290659079e+01 1.94 2.221354499e+00 1.286479077e+01 1.923521268e+01 1.96 1.494557179e+00 1.059215068e+01 1.608381639e+01 1.98 8.863426434e-01 8.648683296e+00 1.337874058e+01 2.00 3.791377917e-01 6.987528247e+00 1.105720295e+01 2.02 -4.209697334e-02 5.568690059e+00 9.065491733e+00 2.04 -3.902071441e-01 4.358006814e+00 7.357563320e+00 2.06 -6.761504170e-01 3.326177496e+00 5.893981540e+00 2.08 -9.092731334e-01 2.448102757e+00 4.640951872e+00 2.10 -1.097543115e+00 1.702266828e+00 3.569494912e+00 2.12 -1.247745063e+00 1.070194030e+00 2.654646041e+00 2.14 -1.365644595e+00 5.360129751e-01 1.874889289e+00 2.16 -1.456145180e+00 8.608869651e-02 1.211717138e+00 2.18 -1.523488879e+00 -2.912884006e-01 6.492066202e-01 2.20 -1.571329733e+00 -6.061657061e-01 1.736635102e-01 2.22 -1.602803587e+00 -8.671900573e-01 -2.267232205e-01 2.24 -1.620609155e+00 -1.081929713e+00 -5.622878914e-01 2.26 -1.627055121e+00 -1.256942979e+00 -8.420097033e-01 2.28 -1.624092107e+00 -1.397884108e+00 -1.073662702e+00 2.30 -1.613363018e+00 -1.509628479e+00 -1.263977132e+00 2.32 -1.596249571e+00 -1.596373425e+00 -1.418772292e+00 2.34 -1.573897362e+00 -1.661724550e+00 -1.543050348e+00 2.36 -1.547274311e+00 -1.708822226e+00 -1.641134670e+00 2.38 -1.517218561e+00 -1.740450171e+00 -1.716780382e+00 2.40 -1.484424490e+00 -1.759024868e+00 -1.773231295e+00 2.42 -1.449456189e+00 -1.766635413e+00 -1.813280701e+00 2.44 -1.412791836e+00 -1.765083331e+00 -1.839324695e+00 2.46 -1.374843628e+00 -1.755916540e+00 -1.853407634e+00 2.48 -1.335982726e+00 -1.740458281e+00 -1.857260849e+00 2.50 -1.296563867e+00 -1.719831741e+00 -1.852336320e+00 2.52 -1.256893470e+00 -1.694980956e+00 -1.839913607e+00 2.54 -1.217233856e+00 -1.666688529e+00 -1.821211789e+00 2.56 -1.177808978e+00 -1.635590713e+00 -1.797303496e+00 2.58 -1.138809231e+00 -1.602220858e+00 -1.769120654e+00 2.60 -1.100392845e+00 -1.567065304e+00 -1.737466303e+00 2.62 -1.062687453e+00 -1.530520383e+00 -1.703025711e+00 2.64 -1.025798274e+00 -1.492910481e+00 -1.666389793e+00 2.66 -9.898110247e-01 -1.454556335e+00 -1.628067190e+00 2.68 -9.547937477e-01 -1.415750901e+00 -1.588493473e+00 2.70 -9.207982720e-01 -1.376742842e+00 -1.548039125e+00 2.72 -8.878613543e-01 -1.337728089e+00 -1.507026763e+00 2.74 -8.560055470e-01 -1.298858587e+00 -1.465748042e+00 2.76 -8.252397131e-01 -1.260261274e+00 -1.424454272e+00 2.78 -7.955541451e-01 -1.222041885e+00 -1.383358992e+00 2.80 -7.669196361e-01 -1.184287676e+00 -1.342641692e+00 2.82 -7.392958315e-01 -1.147069732e+00 -1.302450962e+00 2.84 -7.126387547e-01 -1.110444881e+00 -1.262907129e+00 2.86 -6.869075967e-01 -1.074457298e+00 -1.224104447e+00 2.88 -6.620533245e-01 -1.039144260e+00 -1.186112909e+00 2.90 -6.380212518e-01 -1.004547041e+00 -1.148979711e+00 2.92 -6.147764415e-01 -9.707030623e-01 -1.112730432e+00 2.94 -5.922891047e-01 -9.376445738e-01 -1.077369945e+00 2.96 -5.705283614e-01 -9.053993486e-01 -1.042883970e+00 2.98 -5.494696385e-01 -8.739912275e-01 -1.009269789e+00 3.00 -5.290972393e-01 -8.434405370e-01 -9.765423152e-01 3.02 -5.093961995e-01 -8.137643975e-01 -9.447007467e-01 3.04 -4.903527415e-01 -7.849769333e-01 -9.137403149e-01 3.06 -4.719542237e-01 -7.570893980e-01 -8.836539262e-01 3.08 -4.541889641e-01 -7.301102253e-01 -8.544324999e-01 3.10 -4.370460428e-01 -7.040450150e-01 -8.260652153e-01 3.12 -4.205150854e-01 -6.788964611e-01 -7.985396794e-01 3.14 -4.045860302e-01 -6.546642311e-01 -7.718420237e-01 3.16 -3.892488813e-01 -6.313447500e-01 -7.459569396e-01 3.18 -3.744934500e-01 -6.089276894e-01 -7.208676602e-01 3.20 -3.603090852e-01 -5.873942899e-01 -6.965558933e-01 3.22 -3.466843950e-01 -5.667226738e-01 -6.730017138e-01 3.24 -3.336069604e-01 -5.468880356e-01 -6.501834187e-01 3.26 -3.210630429e-01 -5.278622646e-01 -6.280773498e-01 3.28 -3.090372854e-01 -5.096135472e-01 -6.066576887e-01 3.30 -2.975124092e-01 -4.921059521e-01 -5.858962260e-01 3.32 -2.864710288e-01 -4.753018298e-01 -5.657663544e-01 3.34 -2.759023274e-01 -4.591706837e-01 -5.462567703e-01 3.36 -2.657965012e-01 -4.436817250e-01 -5.273607025e-01 3.38 -2.561425687e-01 -4.288009081e-01 -5.090718605e-01 3.40 -2.469281506e-01 -4.144905863e-01 -4.913843166e-01 3.42 -2.381392484e-01 -4.007091601e-01 -4.742923753e-01 3.44 -2.297600210e-01 -3.874107191e-01 -4.577904343e-01 3.46 -2.217725606e-01 -3.745468215e-01 -4.418728357e-01 3.48 -2.141566676e-01 -3.620904179e-01 -4.265337098e-01 3.50 -2.068896243e-01 -3.500305779e-01 -4.117668130e-01 3.52 -1.999459688e-01 -3.383574099e-01 -3.975653589e-01 3.54 -1.932980335e-01 -3.270617256e-01 -3.839218454e-01 3.56 -1.869265592e-01 -3.161349734e-01 -3.708278766e-01 3.58 -1.808194979e-01 -3.055691699e-01 -3.582739812e-01 3.60 -1.749643190e-01 -2.953568282e-01 -3.462494281e-01 3.62 -1.693477231e-01 -2.854908852e-01 -3.347420386e-01 3.64 -1.639555566e-01 -2.759646275e-01 -3.237379965e-01 3.66 -1.587727243e-01 -2.667716150e-01 -3.132212517e-01 3.68 -1.537844285e-01 -2.579056047e-01 -3.031717875e-01 3.70 -1.489813099e-01 -2.493604728e-01 -2.935670561e-01 3.72 -1.443557380e-01 -2.411301364e-01 -2.843824603e-01 3.74 -1.399001009e-01 -2.332084742e-01 -2.755911413e-01 3.76 -1.356067793e-01 -2.255892478e-01 -2.671637650e-01 3.78 -1.314681195e-01 -2.182660210e-01 -2.590683073e-01 3.80 -1.274764086e-01 -2.112320805e-01 -2.512698385e-01 3.82 -1.236238965e-01 -2.044803553e-01 -2.437308845e-01 3.84 -1.199040264e-01 -1.980033364e-01 -2.364261805e-01 3.86 -1.163117055e-01 -1.917929965e-01 -2.293459871e-01 3.88 -1.128421073e-01 -1.858407095e-01 -2.224818770e-01 3.90 -1.094905999e-01 -1.801371700e-01 -2.158259517e-01 3.92 -1.062527378e-01 -1.746723134e-01 -2.093708160e-01 3.94 -1.031242544e-01 -1.694352351e-01 -2.031095532e-01 3.96 -1.001010548e-01 -1.644141111e-01 -1.970357003e-01 3.98 -9.717920852e-02 -1.595961174e-01 -1.911432225e-01 4.00 -9.435494290e-02 -1.549673507e-01 -1.854264886e-01 4.02 -9.162463645e-02 -1.505127487e-01 -1.798802458e-01 4.04 -8.898481266e-02 -1.462160105e-01 -1.744995952e-01 4.06 -8.643213393e-02 -1.420612841e-01 -1.692799667e-01 4.08 -8.396339581e-02 -1.380408708e-01 -1.642170944e-01 4.10 -8.157552146e-02 -1.341499926e-01 -1.593069924e-01 4.12 -7.926555636e-02 -1.303840527e-01 -1.545459303e-01 4.14 -7.703066316e-02 -1.267386272e-01 -1.499304091e-01 4.16 -7.486811682e-02 -1.232094587e-01 -1.454571372e-01 4.18 -7.277529995e-02 -1.197924497e-01 -1.411230064e-01 4.20 -7.074969828e-02 -1.164836572e-01 -1.369250684e-01 4.22 -6.878875205e-02 -1.132792861e-01 -1.328605114e-01 4.24 -6.688879758e-02 -1.101756841e-01 -1.289266367e-01 4.26 -6.504580434e-02 -1.071693357e-01 -1.251208356e-01 4.28 -6.325603269e-02 -1.042568575e-01 -1.214405664e-01 4.30 -6.151602821e-02 -1.014349925e-01 -1.178833318e-01 4.32 -5.982261084e-02 -9.870060583e-02 -1.144466560e-01 4.34 -5.817286416e-02 -9.605067940e-02 -1.111280628e-01 4.36 -5.656412473e-02 -9.348230786e-02 -1.079250528e-01 4.38 -5.499397148e-02 -9.099269397e-02 -1.048350816e-01 4.40 -5.346021528e-02 -8.857914447e-02 -1.018555379e-01 4.42 -5.196088850e-02 -8.623906601e-02 -9.898372169e-02 4.44 -5.049423469e-02 -8.396996129e-02 -9.621682256e-02 4.46 -4.905869835e-02 -8.176942527e-02 -9.355189838e-02 4.48 -4.765291477e-02 -7.963485950e-02 -9.098585393e-02 4.50 -4.627569989e-02 -7.756267428e-02 -8.851541970e-02 4.52 -4.492604028e-02 -7.554923267e-02 -8.613713094e-02 4.54 -4.360308318e-02 -7.359114130e-02 -8.384730670e-02 4.56 -4.230612661e-02 -7.168524184e-02 -8.164202909e-02 4.58 -4.103460946e-02 -6.982860255e-02 -7.951712264e-02 4.60 -3.978810177e-02 -6.801850988e-02 -7.746813380e-02 4.62 -3.856621135e-02 -6.625246022e-02 -7.549031049e-02 4.64 -3.736777845e-02 -6.452815160e-02 -7.357858186e-02 4.66 -3.619130955e-02 -6.284347562e-02 -7.172753808e-02 4.68 -3.503554218e-02 -6.119650932e-02 -6.993161690e-02 4.70 -3.389943912e-02 -5.958550719e-02 -6.818747197e-02 4.72 -3.278217412e-02 -5.800889320e-02 -6.649340161e-02 4.74 -3.168311780e-02 -5.646525293e-02 -6.484779282e-02 4.76 -3.060182345e-02 -5.495332576e-02 -6.324908957e-02 4.78 -2.953801285e-02 -5.347199706e-02 -6.169579060e-02 4.80 -2.849156220e-02 -5.202029054e-02 -6.018644739e-02 4.82 -2.746248789e-02 -5.059736053e-02 -5.871966216e-02 4.84 -2.645093246e-02 -4.920248442e-02 -5.729408596e-02 4.86 -2.545715042e-02 -4.783505510e-02 -5.590841687e-02 4.88 -2.448149419e-02 -4.649457341e-02 -5.456139818e-02 4.90 -2.352439997e-02 -4.518064074e-02 -5.325181676e-02 4.92 -2.258637367e-02 -4.389295157e-02 -5.197850141e-02 4.94 -2.166797682e-02 -4.263128611e-02 -5.074032129e-02 4.96 -2.076981249e-02 -4.139550297e-02 -4.953618441e-02 4.98 -1.989251123e-02 -4.018553184e-02 -4.836503624e-02 5.00 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