# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-6 # implementation = 2015--Borovikov-V--fictional-Cu-6--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cu Cu 0.02 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 5.550412452e+11 0.12 3.887463033e+04 0.14 2.945561100e+04 0.16 2.288994684e+04 0.18 1.814122032e+04 0.20 1.460758232e+04 0.22 1.191805035e+04 0.24 9.832908536e+03 0.26 8.191265535e+03 0.28 6.881729420e+03 0.30 5.825168559e+03 0.32 4.964141295e+03 0.34 4.256178211e+03 0.36 3.669379719e+03 0.38 3.179453628e+03 0.40 2.767675470e+03 0.42 2.419455871e+03 0.44 2.123316556e+03 0.46 1.870147081e+03 0.48 1.652657943e+03 0.50 1.464973181e+03 0.52 1.302323530e+03 0.54 1.160813033e+03 0.56 1.037239893e+03 0.58 9.289578365e+02 0.60 8.337679790e+02 0.62 7.498339012e+02 0.64 6.756144935e+02 0.66 6.098105191e+02 0.68 5.513218626e+02 0.70 4.992131338e+02 0.72 4.526858453e+02 0.74 4.110557957e+02 0.76 3.737345946e+02 0.78 3.402145038e+02 0.80 3.100559431e+02 0.82 2.828771501e+02 0.84 2.583455858e+02 0.86 2.361707665e+02 0.88 2.160982591e+02 0.90 1.979046336e+02 0.92 1.813932041e+02 0.94 1.663904247e+02 0.96 1.527428274e+02 0.98 1.403144131e+02 1.00 1.289844258e+02 1.02 1.185250826e+02 1.04 1.087605754e+02 1.06 9.965829193e+01 1.08 9.118574046e+01 1.10 8.331072504e+01 1.12 7.600150492e+01 1.14 6.922693397e+01 1.16 6.295658130e+01 1.18 5.716083407e+01 1.20 5.181098346e+01 1.22 4.687929499e+01 1.24 4.233906421e+01 1.26 3.816465906e+01 1.28 3.433154988e+01 1.30 3.081632843e+01 1.32 2.759671678e+01 1.34 2.465156737e+01 1.36 2.196085523e+01 1.38 1.950566321e+01 1.40 1.726816141e+01 1.42 1.523158148e+01 1.44 1.338018669e+01 1.46 1.169923858e+01 1.48 1.017496078e+01 1.50 8.794500738e+00 1.52 7.545889888e+00 1.54 6.418002732e+00 1.56 5.400515381e+00 1.58 4.483863901e+00 1.60 3.659202832e+00 1.62 2.918364190e+00 1.64 2.253817209e+00 1.66 1.658629042e+00 1.68 1.126426601e+00 1.70 6.513596898e-01 1.72 2.280655246e-01 1.74 -1.483652442e-01 1.76 -4.824209713e-01 1.78 -7.781998652e-01 1.80 -1.039439233e+00 1.82 -1.269543114e+00 1.84 -1.471608319e+00 1.86 -1.648448901e+00 1.88 -1.802619080e+00 1.90 -1.936434682e+00 1.92 -2.051993131e+00 1.94 -2.151192054e+00 1.96 -2.235746551e+00 1.98 -2.307205208e+00 2.00 -2.366964726e+00 2.02 -2.411406417e+00 2.04 -2.439839881e+00 2.06 -2.456908645e+00 2.08 -2.466078099e+00 2.10 -2.469869153e+00 2.12 -2.470057815e+00 2.14 -2.467844102e+00 2.16 -2.463993352e+00 2.18 -2.458952853e+00 2.20 -2.452946562e+00 2.22 -2.446050540e+00 2.24 -2.438251556e+00 2.26 -2.429491184e+00 2.28 -2.419697561e+00 2.30 -2.408806810e+00 2.32 -2.396775984e+00 2.34 -2.383589271e+00 2.36 -2.369258968e+00 2.38 -2.353822684e+00 2.40 -2.337337982e+00 2.42 -2.319875590e+00 2.44 -2.301512102e+00 2.46 -2.282322980e+00 2.48 -2.262376554e+00 2.50 -2.241729483e+00 2.52 -2.220424022e+00 2.54 -2.198487294e+00 2.56 -2.175932598e+00 2.58 -2.152762665e+00 2.60 -2.128974579e+00 2.62 -2.104565970e+00 2.64 -2.079541909e+00 2.66 -2.053921782e+00 2.68 -2.027745296e+00 2.70 -2.001076583e+00 2.72 -1.974005238e+00 2.74 -1.946642975e+00 2.76 -1.919114426e+00 2.78 -1.891540456e+00 2.80 -1.864012218e+00 2.82 -1.836559574e+00 2.84 -1.809170265e+00 2.86 -1.781833189e+00 2.88 -1.754542373e+00 2.90 -1.727296356e+00 2.92 -1.700097635e+00 2.94 -1.672952177e+00 2.96 -1.645868950e+00 2.98 -1.618859386e+00 3.00 -1.591937030e+00 3.02 -1.565117217e+00 3.04 -1.538416533e+00 3.06 -1.511852645e+00 3.08 -1.485444013e+00 3.10 -1.459209386e+00 3.12 -1.433167942e+00 3.14 -1.407338618e+00 3.16 -1.381740305e+00 3.18 -1.356391390e+00 3.20 -1.331309745e+00 3.22 -1.306512547e+00 3.24 -1.282016077e+00 3.26 -1.257835587e+00 3.28 -1.233985279e+00 3.30 -1.210477917e+00 3.32 -1.187325472e+00 3.34 -1.164537858e+00 3.36 -1.142124596e+00 3.38 -1.120092858e+00 3.40 -1.098449086e+00 3.42 -1.077198426e+00 3.44 -1.056343730e+00 3.46 -1.035887900e+00 3.48 -1.015831480e+00 3.50 -9.961735430e-01 3.52 -9.769134327e-01 3.54 -9.580477485e-01 3.56 -9.395718447e-01 3.58 -9.214817735e-01 3.60 -9.037716177e-01 3.62 -8.864327670e-01 3.64 -8.694580987e-01 3.66 -8.528407445e-01 3.68 -8.365693846e-01 3.70 -8.206330618e-01 3.72 -8.050225928e-01 3.74 -7.897293989e-01 3.76 -7.747391862e-01 3.78 -7.600382361e-01 3.80 -7.456162094e-01 3.82 -7.314638346e-01 3.84 -7.175712117e-01 3.86 -7.039178246e-01 3.88 -6.904913158e-01 3.90 -6.772829060e-01 3.92 -6.642850047e-01 3.94 -6.514910579e-01 3.96 -6.388828689e-01 3.98 -6.264326996e-01 4.00 -6.141376469e-01 4.02 -6.019961168e-01 4.04 -5.900071546e-01 4.06 -5.781703717e-01 4.08 -5.664858867e-01 4.10 -5.548077288e-01 4.12 -5.430101071e-01 4.14 -5.312213300e-01 4.16 -5.195498660e-01 4.18 -5.080849891e-01 4.20 -4.968992737e-01 4.22 -4.860508215e-01 4.24 -4.755852418e-01 4.26 -4.655374095e-01 4.28 -4.560504169e-01 4.30 -4.472099666e-01 4.32 -4.387093465e-01 4.34 -4.302895393e-01 4.36 -4.217449682e-01 4.38 -4.129163120e-01 4.40 -4.036841415e-01 4.42 -3.939632956e-01 4.44 -3.836979198e-01 4.46 -3.728570978e-01 4.48 -3.614310132e-01 4.50 -3.494275854e-01 4.52 -3.368695021e-01 4.54 -3.237913709e-01 4.56 -3.101724443e-01 4.58 -2.961013376e-01 4.60 -2.817693617e-01 4.62 -2.673389353e-01 4.64 -2.529468275e-01 4.66 -2.387070875e-01 4.68 -2.247136668e-01 4.70 -2.110427593e-01 4.72 -1.977548852e-01 4.74 -1.848967416e-01 4.76 -1.725028413e-01 4.78 -1.605969602e-01 4.80 -1.491934114e-01 4.82 -1.382983578e-01 4.84 -1.279128548e-01 4.86 -1.180354790e-01 4.88 -1.086627855e-01 4.90 -9.978952569e-02 4.92 -9.140883379e-02 4.94 -8.351238929e-02 4.96 -7.609055934e-02 4.98 -6.913252544e-02 5.00 -6.262639798e-02 5.02 -5.655932164e-02 5.04 -5.091757397e-02 5.06 -4.568665935e-02 5.08 -4.085139983e-02 5.10 -3.639602398e-02 5.12 -3.230425492e-02 5.14 -2.855939784e-02 5.16 -2.514442752e-02 5.18 -2.204207603e-02 5.20 -1.923492035e-02 5.22 -1.670546988e-02 5.24 -1.443625338e-02 5.26 -1.240990492e-02 5.28 -1.060924821e-02 5.30 -9.017378839e-03 5.32 -7.617743544e-03 5.34 -6.394216073e-03 5.36 -5.331168741e-03 5.38 -4.413539119e-03 5.40 -3.626891139e-03 5.42 -2.957470004e-03 5.44 -2.392250341e-03 5.46 -1.918977048e-03 5.48 -1.526198419e-03 5.50 -1.203291163e-03 5.52 -9.404770397e-04 5.54 -7.288309201e-04 5.56 -5.602802005e-04 5.58 -4.275955751e-04 5.60 -3.243733123e-04 5.62 -2.450092816e-04 5.64 -1.846651030e-04 5.66 -1.392269164e-04 5.68 -1.052573942e-04 5.70 -7.994175182e-05 5.72 -6.102864233e-05 5.74 -4.676695654e-05 5.76 -3.583968587e-05 5.78 -2.729614212e-05 5.80 -2.048396722e-05 5.82 -1.498250500e-05 5.84 -1.053924742e-05 5.86 -7.011207723e-06 5.88 -4.313214624e-06 5.90 -2.375262328e-06 5.92 -1.111193094e-06 5.94 -4.011305638e-07 5.96 -9.022390811e-08 5.98 -6.404658617e-09 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 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