# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2008--Mendelev-M-I-Kramer-M-J-Becker-C-A-Asta-M--Cu # implementation = 2008--Mendelev-M-I--Cu--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 3.887454574e+04 0.14 2.945553287e+04 0.16 2.288987476e+04 0.18 1.814115389e+04 0.20 1.460752148e+04 0.22 1.191799522e+04 0.24 9.832859217e+03 0.26 8.191222055e+03 0.28 6.881691679e+03 0.30 5.825136303e+03 0.32 4.964114141e+03 0.34 4.256155685e+03 0.36 3.669361295e+03 0.38 3.179438760e+03 0.40 2.767663617e+03 0.42 2.419446525e+03 0.44 2.123309262e+03 0.46 1.870141447e+03 0.48 1.652653642e+03 0.50 1.464969940e+03 0.52 1.302321123e+03 0.54 1.160811274e+03 0.56 1.037238633e+03 0.58 9.289569537e+02 0.60 8.337673775e+02 0.62 7.498335049e+02 0.64 6.756142428e+02 0.66 6.098103684e+02 0.68 5.513217777e+02 0.70 4.992130898e+02 0.72 4.526858251e+02 0.74 4.110557878e+02 0.76 3.737345922e+02 0.78 3.402145033e+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 1.289844237e+02 1.02 1.185987505e+02 1.04 1.090238810e+02 1.06 1.001868358e+02 1.08 9.202262822e+01 1.10 8.447329263e+01 1.12 7.748703921e+01 1.14 7.101751600e+01 1.16 6.502316348e+01 1.18 5.946664899e+01 1.20 5.431437027e+01 1.22 4.953601891e+01 1.24 4.510419595e+01 1.26 4.099407298e+01 1.28 3.718309306e+01 1.30 3.365070650e+01 1.32 3.037813751e+01 1.34 2.734817799e+01 1.36 2.454500537e+01 1.38 2.195402199e+01 1.40 1.956171355e+01 1.42 1.735552470e+01 1.44 1.532374994e+01 1.46 1.345543846e+01 1.48 1.174031123e+01 1.50 1.016868940e+01 1.52 8.731432774e+00 1.54 7.419887251e+00 1.56 6.225840438e+00 1.58 5.141484466e+00 1.60 4.159385221e+00 1.62 3.272457198e+00 1.64 2.473943267e+00 1.66 1.757398640e+00 1.68 1.116678388e+00 1.70 5.459279000e-01 1.72 3.957567587e-02 1.74 -4.076720584e-01 1.76 -8.008354363e-01 1.78 -1.144664181e+00 1.80 -1.443640394e+00 1.82 -1.689200885e+00 1.84 -1.878440456e+00 1.86 -2.022564540e+00 1.88 -2.130907372e+00 1.90 -2.211179212e+00 1.92 -2.269689313e+00 1.94 -2.311546227e+00 1.96 -2.340836954e+00 1.98 -2.360786413e+00 2.00 -2.373898655e+00 2.02 -2.382081196e+00 2.04 -2.386753770e+00 2.06 -2.388942794e+00 2.08 -2.389362744e+00 2.10 -2.388485622e+00 2.12 -2.386599621e+00 2.14 -2.383858064e+00 2.16 -2.380319616e+00 2.18 -2.375980750e+00 2.20 -2.370801372e+00 2.22 -2.364724464e+00 2.24 -2.357690563e+00 2.26 -2.349647838e+00 2.28 -2.340558463e+00 2.30 -2.330401964e+00 2.32 -2.319176130e+00 2.34 -2.306896062e+00 2.36 -2.293591847e+00 2.38 -2.279305345e+00 2.40 -2.264086451e+00 2.42 -2.247989224e+00 2.44 -2.231068145e+00 2.46 -2.213374776e+00 2.48 -2.194955054e+00 2.50 -2.175847366e+00 2.52 -2.156081475e+00 2.54 -2.135678364e+00 2.56 -2.114650996e+00 2.58 -2.093005930e+00 2.60 -2.070745700e+00 2.62 -2.047871807e+00 2.64 -2.024388096e+00 2.66 -2.000304299e+00 2.68 -1.975639404e+00 2.70 -1.950424523e+00 2.72 -1.924704827e+00 2.74 -1.898540110e+00 2.76 -1.872003460e+00 2.78 -1.845177483e+00 2.80 -1.818147468e+00 2.82 -1.790991529e+00 2.84 -1.763776062e+00 2.86 -1.736558820e+00 2.88 -1.709390124e+00 2.90 -1.682313598e+00 2.92 -1.655366861e+00 2.94 -1.628582208e+00 2.96 -1.601987219e+00 2.98 -1.575605226e+00 3.00 -1.549455880e+00 3.02 -1.523555676e+00 3.04 -1.497918202e+00 3.06 -1.472554667e+00 3.08 -1.447474272e+00 3.10 -1.422684285e+00 3.12 -1.398190718e+00 3.14 -1.373998124e+00 3.16 -1.350110229e+00 3.18 -1.326529835e+00 3.20 -1.303259152e+00 3.22 -1.280299897e+00 3.24 -1.257653347e+00 3.26 -1.235320410e+00 3.28 -1.213301785e+00 3.30 -1.191597710e+00 3.32 -1.170208729e+00 3.34 -1.149134502e+00 3.36 -1.128375538e+00 3.38 -1.107931269e+00 3.40 -1.087801690e+00 3.42 -1.067986780e+00 3.44 -1.048485496e+00 3.46 -1.029298067e+00 3.48 -1.010423549e+00 3.50 -9.918606399e-01 3.52 -9.736093569e-01 3.54 -9.556679397e-01 3.56 -9.380342630e-01 3.58 -9.207076882e-01 3.60 -9.036863003e-01 3.62 -8.869660854e-01 3.64 -8.705450116e-01 3.66 -8.544216955e-01 3.68 -8.385905975e-01 3.70 -8.230467378e-01 3.72 -8.077870131e-01 3.74 -7.928089364e-01 3.76 -7.781042304e-01 3.78 -7.636650372e-01 3.80 -7.494866458e-01 3.82 -7.355651130e-01 3.84 -7.218955036e-01 3.86 -7.084618485e-01 3.88 -6.952558733e-01 3.90 -6.822723778e-01 3.92 -6.695068171e-01 3.94 -6.569551266e-01 3.96 -6.446010290e-01 3.98 -6.324181311e-01 4.00 -6.204043028e-01 4.02 -6.085581633e-01 4.04 -5.968784306e-01 4.06 -5.853638761e-01 4.08 -5.740133003e-01 4.10 -5.626789782e-01 4.12 -5.512329768e-01 4.14 -5.398011291e-01 4.16 -5.284891540e-01 4.18 -5.173833656e-01 4.20 -5.065532366e-01 4.22 -4.960536951e-01 4.24 -4.859271774e-01 4.26 -4.762054600e-01 4.28 -4.670286837e-01 4.30 -4.584798190e-01 4.32 -4.502497102e-01 4.34 -4.420772499e-01 4.36 -4.337551851e-01 4.38 -4.251229852e-01 4.40 -4.160605238e-01 4.42 -4.064824895e-01 4.44 -3.963334483e-01 4.46 -3.855834853e-01 4.48 -3.742243617e-01 4.50 -3.622661286e-01 4.52 -3.497341193e-01 4.54 -3.366660382e-01 4.56 -3.230446017e-01 4.58 -3.089621455e-01 4.60 -2.946138195e-01 4.62 -2.801658328e-01 4.64 -2.657584957e-01 4.66 -2.515089156e-01 4.68 -2.375133463e-01 4.70 -2.238492167e-01 4.72 -2.105768600e-01 4.74 -1.977409645e-01 4.76 -1.853717639e-01 4.78 -1.734859861e-01 4.80 -1.620875731e-01 4.82 -1.511688309e-01 4.84 -1.407176793e-01 4.86 -1.307242911e-01 4.88 -1.211810648e-01 4.90 -1.120820081e-01 4.92 -1.034221884e-01 4.94 -9.519724997e-02 4.96 -8.740299578e-02 4.98 -8.003503165e-02 5.00 -7.308847017e-02 5.02 -6.655769154e-02 5.04 -6.043615800e-02 5.06 -5.471627843e-02 5.08 -4.938931947e-02 5.10 -4.444535926e-02 5.12 -3.987327993e-02 5.14 -3.566079492e-02 5.16 -3.179450694e-02 5.18 -2.825999264e-02 5.20 -2.504190995e-02 5.22 -2.212412414e-02 5.24 -1.948984877e-02 5.26 -1.712179771e-02 5.28 -1.500234465e-02 5.30 -1.311368662e-02 5.32 -1.143800828e-02 5.34 -9.957643781e-03 5.36 -8.655233415e-03 5.38 -7.513872359e-03 5.40 -6.517249092e-03 5.42 -5.649771345e-03 5.44 -4.896677687e-03 5.46 -4.244133145e-03 5.48 -3.679307532e-03 5.50 -3.190435462e-03 5.52 -2.766857347e-03 5.54 -2.399040955e-03 5.56 -2.078583476e-03 5.58 -1.798194315e-03 5.60 -1.551659211e-03 5.62 -1.333786588e-03 5.64 -1.140337390e-03 5.66 -9.679400071e-04 5.68 -8.139922342e-04 5.70 -6.765525574e-04 5.72 -5.542234188e-04 5.74 -4.460294596e-04 5.76 -3.512940995e-04 5.78 -2.695181663e-04 5.80 -2.002646480e-04 5.82 -1.430539973e-04 5.84 -9.727478060e-05 5.86 -6.211481947e-05 5.88 -3.651833795e-05 5.90 -1.917498556e-05 5.92 -8.546969435e-06 5.94 -2.940889298e-06 5.96 -6.312303647e-07 5.98 -4.283057409e-08 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 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00