# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2010--Mendelev-M-I-Rahman-M-J-Hoyt-J-J-Asta-M--fictional-Al-2 # implementation = 2010--Mendelev-M-I--fictional-Al-2--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 Al Al 0.02 4.367544468e+13 0.04 1.867544468e+13 0.06 1.034211135e+13 0.08 6.175444683e+12 0.10 4.274356606e+11 0.12 9.380097515e+03 0.14 7.259063211e+03 0.16 5.757491474e+03 0.18 4.654320915e+03 0.20 3.820193927e+03 0.22 3.174870853e+03 0.24 2.666212014e+03 0.26 2.259025519e+03 0.28 1.928795347e+03 0.30 1.657980618e+03 0.32 1.433741927e+03 0.34 1.246495230e+03 0.36 1.088964046e+03 0.38 9.555416486e+02 0.40 8.418517131e+02 0.42 7.444392920e+02 0.44 6.605493370e+02 0.46 5.879652572e+02 0.48 5.248894236e+02 0.50 4.698534856e+02 0.52 4.216502132e+02 0.54 3.792811100e+02 0.56 3.419157359e+02 0.58 3.088598356e+02 0.60 2.795301631e+02 0.62 2.534344519e+02 0.64 2.301553780e+02 0.66 2.093376460e+02 0.68 1.906775381e+02 0.70 1.739144158e+02 0.72 1.588237810e+02 0.74 1.452115864e+02 0.76 1.329095523e+02 0.78 1.217712954e+02 0.80 1.116691170e+02 0.82 1.024913252e+02 0.84 9.413999289e+01 0.86 8.652907158e+01 0.88 7.958279570e+01 0.90 7.323432637e+01 0.92 6.742459165e+01 0.94 6.210128998e+01 0.96 5.721802902e+01 0.98 5.273357794e+01 1.00 4.861121535e+01 1.02 4.481815848e+01 1.04 4.132506187e+01 1.06 3.810557629e+01 1.08 3.513596010e+01 1.10 3.239474108e+01 1.12 2.986248036e+01 1.14 2.752160307e+01 1.16 2.535620231e+01 1.18 2.335186008e+01 1.20 2.149548970e+01 1.22 1.977519699e+01 1.24 1.818015765e+01 1.26 1.670050886e+01 1.28 1.532725317e+01 1.30 1.405217315e+01 1.32 1.286775555e+01 1.34 1.176712366e+01 1.36 1.074397699e+01 1.38 9.792537352e+00 1.40 8.907500581e+00 1.42 8.083993251e+00 1.44 7.317533809e+00 1.46 6.603997628e+00 1.48 5.939585527e+00 1.50 5.320795415e+00 1.52 4.744002462e+00 1.54 4.205892889e+00 1.56 3.703797905e+00 1.58 3.235247876e+00 1.60 2.797956306e+00 1.62 2.389805205e+00 1.64 2.008831715e+00 1.66 1.653215872e+00 1.68 1.321269407e+00 1.70 1.011425488e+00 1.72 7.222293180e-01 1.74 4.523295157e-01 1.76 2.004702098e-01 1.78 -3.451621967e-02 1.80 -2.537158066e-01 1.82 -4.581391231e-01 1.84 -6.487269107e-01 1.86 -8.263552594e-01 1.88 -9.918403752e-01 1.90 -1.145942969e+00 1.92 -1.289372302e+00 1.94 -1.422789913e+00 1.96 -1.546813055e+00 1.98 -1.662017874e+00 2.00 -1.768942331e+00 2.02 -1.868088913e+00 2.04 -1.959927135e+00 2.06 -2.044895848e+00 2.08 -2.123405386e+00 2.10 -2.195839541e+00 2.12 -2.262557402e+00 2.14 -2.323895054e+00 2.16 -2.380167156e+00 2.18 -2.431668404e+00 2.20 -2.478674889e+00 2.22 -2.521445359e+00 2.24 -2.560222390e+00 2.26 -2.595233479e+00 2.28 -2.626692057e+00 2.30 -2.654798434e+00 2.32 -2.679740678e+00 2.34 -2.701695437e+00 2.36 -2.720828707e+00 2.38 -2.737296539e+00 2.40 -2.751245706e+00 2.42 -2.762645792e+00 2.44 -2.771724510e+00 2.46 -2.778854252e+00 2.48 -2.784246173e+00 2.50 -2.787998710e+00 2.52 -2.790136907e+00 2.54 -2.790643583e+00 2.56 -2.789483351e+00 2.58 -2.786620414e+00 2.60 -2.782031027e+00 2.62 -2.775711423e+00 2.64 -2.767681909e+00 2.66 -2.757987911e+00 2.68 -2.746698733e+00 2.70 -2.733904545e+00 2.72 -2.719712136e+00 2.74 -2.704239803e+00 2.76 -2.687611930e+00 2.78 -2.669953722e+00 2.80 -2.651386325e+00 2.82 -2.632022600e+00 2.84 -2.611963621e+00 2.86 -2.591296192e+00 2.88 -2.570091561e+00 2.90 -2.548405283e+00 2.92 -2.526278226e+00 2.94 -2.503738618e+00 2.96 -2.480805041e+00 2.98 -2.457490157e+00 3.00 -2.433804949e+00 3.02 -2.409763165e+00 3.04 -2.385385506e+00 3.06 -2.360703264e+00 3.08 -2.335761045e+00 3.10 -2.310617984e+00 3.12 -2.285346852e+00 3.14 -2.260030429e+00 3.16 -2.234754457e+00 3.18 -2.209596406e+00 3.20 -2.184609290e+00 3.22 -2.159803201e+00 3.24 -2.135160018e+00 3.26 -2.110662045e+00 3.28 -2.086294694e+00 3.30 -2.062046240e+00 3.32 -2.037907447e+00 3.34 -2.013871319e+00 3.36 -1.989932956e+00 3.38 -1.966089151e+00 3.40 -1.942338281e+00 3.42 -1.918680158e+00 3.44 -1.895115592e+00 3.46 -1.871646569e+00 3.48 -1.848275672e+00 3.50 -1.825006316e+00 3.52 -1.801842310e+00 3.54 -1.778787928e+00 3.56 -1.755847690e+00 3.58 -1.733026296e+00 3.60 -1.710328508e+00 3.62 -1.687759139e+00 3.64 -1.665322770e+00 3.66 -1.643024119e+00 3.68 -1.620867217e+00 3.70 -1.598856516e+00 3.72 -1.576995328e+00 3.74 -1.555287430e+00 3.76 -1.533735671e+00 3.78 -1.512342522e+00 3.80 -1.491110736e+00 3.82 -1.470041395e+00 3.84 -1.449136236e+00 3.86 -1.428396361e+00 3.88 -1.407821444e+00 3.90 -1.387412229e+00 3.92 -1.367168290e+00 3.94 -1.347087874e+00 3.96 -1.327170559e+00 3.98 -1.307415136e+00 4.00 -1.287818106e+00 4.02 -1.268377697e+00 4.04 -1.249092756e+00 4.06 -1.229958508e+00 4.08 -1.210971234e+00 4.10 -1.192128969e+00 4.12 -1.173429490e+00 4.14 -1.154865709e+00 4.16 -1.136433786e+00 4.18 -1.118131727e+00 4.20 -1.099958144e+00 4.22 -1.081904203e+00 4.24 -1.063964711e+00 4.26 -1.046137800e+00 4.28 -1.028423061e+00 4.30 -1.010818726e+00 4.32 -9.933102546e-01 4.34 -9.758943158e-01 4.36 -9.585713645e-01 4.38 -9.413433182e-01 4.40 -9.242133505e-01 4.42 -9.071691645e-01 4.44 -8.901868489e-01 4.46 -8.732737797e-01 4.48 -8.564387968e-01 4.50 -8.396914240e-01 4.52 -8.230417550e-01 4.54 -8.065003588e-01 4.56 -7.898772193e-01 4.58 -7.730298279e-01 4.60 -7.561371944e-01 4.62 -7.393516326e-01 4.64 -7.228003598e-01 4.66 -7.065885113e-01 4.68 -6.908018883e-01 4.70 -6.755094603e-01 4.72 -6.607656413e-01 4.74 -6.468125079e-01 4.76 -6.336759796e-01 4.78 -6.209502141e-01 4.80 -6.083085937e-01 4.82 -5.954966860e-01 4.84 -5.823212487e-01 4.86 -5.686403003e-01 4.88 -5.543555119e-01 4.90 -5.394055528e-01 4.92 -5.237601764e-01 4.94 -5.074149822e-01 4.96 -4.903867900e-01 4.98 -4.727095722e-01 5.00 -4.544254742e-01 5.02 -4.354942320e-01 5.04 -4.160946785e-01 5.06 -3.964600770e-01 5.08 -3.767862114e-01 5.10 -3.572361134e-01 5.12 -3.379442781e-01 5.14 -3.190204153e-01 5.16 -3.005527805e-01 5.18 -2.826111265e-01 5.20 -2.652493123e-01 5.22 -2.485076041e-01 5.24 -2.324146985e-01 5.26 -2.169894980e-01 5.28 -2.022426636e-01 5.30 -1.881779681e-01 5.32 -1.747934736e-01 5.34 -1.620825499e-01 5.36 -1.500347549e-01 5.38 -1.386365898e-01 5.40 -1.278721466e-01 5.42 -1.177236595e-01 5.44 -1.081719718e-01 5.46 -9.919693003e-02 5.48 -9.077771427e-02 5.50 -8.289311307e-02 5.52 -7.552175076e-02 5.54 -6.864227403e-02 5.56 -6.223350355e-02 5.58 -5.627455622e-02 5.60 -5.074494247e-02 5.62 -4.562463191e-02 5.64 -4.089399194e-02 5.66 -3.653371503e-02 5.68 -3.252484663e-02 5.70 -2.884881476e-02 5.72 -2.548745216e-02 5.74 -2.242301255e-02 5.76 -1.963818260e-02 5.78 -1.711609067e-02 5.80 -1.484031344e-02 5.82 -1.279488139e-02 5.84 -1.096428363e-02 5.86 -9.333472826e-03 5.88 -7.887870570e-03 5.90 -6.613373545e-03 5.92 -5.496360680e-03 5.94 -4.523701425e-03 5.96 -3.682765167e-03 5.98 -2.961431754e-03 6.00 -2.348102990e-03 6.02 -1.831714949e-03 6.04 -1.401750841e-03 6.06 -1.048254172e-03 6.08 -7.618418456e-04 6.10 -5.337168378e-04 6.12 -3.556800376e-04 6.14 -2.201407978e-04 6.16 -1.201257251e-04 6.18 -4.928520131e-05 6.20 -1.897101880e-06 6.22 2.713284365e-05 6.24 4.227463043e-05 6.26 4.738209720e-05 6.28 4.570620736e-05 6.30 3.991413317e-05 6.32 3.211480331e-05 6.34 2.389159142e-05 6.36 1.634284143e-05 6.38 1.013094246e-05 6.40 5.540683124e-06 6.42 2.547631859e-06 6.44 8.973066105e-07 6.46 1.959137988e-07 6.48 1.345295770e-08 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