# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Li-Y-Mishin-Y--Al-MT # implementation = 2026--Li-Y--Al-MT--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 2026-06-16 r Al Al 0.02 8.746277498e+02 0.04 8.254461055e+02 0.06 7.790086787e+02 0.08 7.351627092e+02 0.10 6.937639344e+02 0.12 6.546761166e+02 0.14 6.177705965e+02 0.16 5.829258720e+02 0.18 5.500272001e+02 0.20 5.189662209e+02 0.22 4.896406027e+02 0.24 4.619537066e+02 0.26 4.358142702e+02 0.28 4.111361081e+02 0.30 3.878378300e+02 0.32 3.658425738e+02 0.34 3.450777536e+02 0.36 3.254748224e+02 0.38 3.069690468e+02 0.40 2.894992953e+02 0.42 2.730078378e+02 0.44 2.574401568e+02 0.46 2.427447681e+02 0.48 2.288730524e+02 0.50 2.157790962e+02 0.52 2.034195409e+02 0.54 1.917534408e+02 0.56 1.807421291e+02 0.58 1.703490909e+02 0.60 1.605398435e+02 0.62 1.512818237e+02 0.64 1.425442805e+02 0.66 1.342981748e+02 0.68 1.265160839e+02 0.70 1.191721115e+02 0.72 1.122418033e+02 0.74 1.057020660e+02 0.76 9.953109223e+01 0.78 9.370828882e+01 0.80 8.821420915e+01 0.82 8.303048951e+01 0.84 7.813978875e+01 0.86 7.352573147e+01 0.88 6.917285425e+01 0.90 6.506655493e+01 0.92 6.119304468e+01 0.94 5.753930277e+01 0.96 5.409303381e+01 0.98 5.084262740e+01 1.00 4.777712003e+01 1.02 4.488615910e+01 1.04 4.215996886e+01 1.06 3.958931840e+01 1.08 3.716549126e+01 1.10 3.488025685e+01 1.12 3.272584338e+01 1.14 3.069491236e+01 1.16 2.878053446e+01 1.18 2.697616673e+01 1.20 2.527563114e+01 1.22 2.367309422e+01 1.24 2.216304792e+01 1.26 2.074029147e+01 1.28 1.939991429e+01 1.30 1.813727983e+01 1.32 1.694801032e+01 1.34 1.582797237e+01 1.36 1.477326334e+01 1.38 1.378019851e+01 1.40 1.284529897e+01 1.42 1.196528009e+01 1.44 1.113704080e+01 1.46 1.035765327e+01 1.48 9.624353325e+00 1.50 8.934531324e+00 1.52 8.285723523e+00 1.54 7.675603974e+00 1.56 7.101976841e+00 1.58 6.562769151e+00 1.60 6.056023951e+00 1.62 5.579893842e+00 1.64 5.132634876e+00 1.66 4.712600788e+00 1.68 4.318237556e+00 1.70 3.948078255e+00 1.72 3.600738209e+00 1.74 3.274910397e+00 1.76 2.969361131e+00 1.78 2.682925962e+00 1.80 2.414505822e+00 1.82 2.163063377e+00 1.84 1.927619581e+00 1.86 1.707250428e+00 1.88 1.501083880e+00 1.90 1.308296965e+00 1.92 1.128113042e+00 1.94 9.597992137e-01 1.96 8.026638824e-01 1.98 6.560544475e-01 2.00 5.193551258e-01 2.02 3.919848959e-01 2.04 2.733955555e-01 2.06 1.630698887e-01 2.08 6.051993359e-02 2.10 -3.471465250e-02 2.12 -1.230681373e-01 2.14 -2.049501716e-01 2.16 -2.807471662e-01 2.18 -3.508235921e-01 2.20 -4.155232081e-01 2.22 -4.751702202e-01 2.24 -5.300703766e-01 2.26 -5.805120009e-01 2.28 -6.267669688e-01 2.30 -6.690916295e-01 2.32 -7.077276759e-01 2.34 -7.429029670e-01 2.36 -7.748323033e-01 2.38 -8.037181598e-01 2.40 -8.297513782e-01 2.42 -8.531118194e-01 2.44 -8.739689814e-01 2.46 -8.924825807e-01 2.48 -9.088031031e-01 2.50 -9.230723226e-01 2.52 -9.354237918e-01 2.54 -9.459833045e-01 2.56 -9.548693333e-01 2.58 -9.621934422e-01 2.60 -9.680606758e-01 2.62 -9.725699276e-01 2.64 -9.758142874e-01 2.66 -9.778813688e-01 2.68 -9.788536193e-01 2.70 -9.788086122e-01 2.72 -9.778193229e-01 2.74 -9.759543891e-01 2.76 -9.732783570e-01 2.78 -9.698519136e-01 2.80 -9.657321056e-01 2.82 -9.609725463e-01 2.84 -9.556236117e-01 2.86 -9.497326238e-01 2.88 -9.433440257e-01 2.90 -9.364995453e-01 2.92 -9.292383506e-01 2.94 -9.215971963e-01 2.96 -9.136105617e-01 2.98 -9.053107816e-01 3.00 -8.967281689e-01 3.02 -8.878911313e-01 3.04 -8.788262807e-01 3.06 -8.695585369e-01 3.08 -8.601112252e-01 3.10 -8.505061688e-01 3.12 -8.407637755e-01 3.14 -8.309031203e-01 3.16 -8.209420224e-01 3.18 -8.108971187e-01 3.20 -8.007839327e-01 3.22 -7.906169396e-01 3.24 -7.804096278e-01 3.26 -7.701745567e-01 3.28 -7.599234117e-01 3.30 -7.496670555e-01 3.32 -7.394155771e-01 3.34 -7.291783375e-01 3.36 -7.189640129e-01 3.38 -7.087806359e-01 3.40 -6.986356339e-01 3.42 -6.885358653e-01 3.44 -6.784876542e-01 3.46 -6.684968222e-01 3.48 -6.585687192e-01 3.50 -6.487082523e-01 3.52 -6.389199125e-01 3.54 -6.292078005e-01 3.56 -6.195756511e-01 3.58 -6.100268552e-01 3.60 -6.005644818e-01 3.62 -5.911912980e-01 3.64 -5.819097880e-01 3.66 -5.727221712e-01 3.68 -5.636304188e-01 3.70 -5.546362697e-01 3.72 -5.457412461e-01 3.74 -5.369466668e-01 3.76 -5.282536610e-01 3.78 -5.196631809e-01 3.80 -5.111760130e-01 3.82 -5.027927899e-01 3.84 -4.945140001e-01 3.86 -4.863399982e-01 3.88 -4.782710143e-01 3.90 -4.703071624e-01 3.92 -4.624484487e-01 3.94 -4.546947794e-01 3.96 -4.470459680e-01 3.98 -4.395017419e-01 4.00 -4.320617490e-01 4.02 -4.247255639e-01 4.04 -4.174926931e-01 4.06 -4.103625808e-01 4.08 -4.033346137e-01 4.10 -3.964081256e-01 4.12 -3.895824021e-01 4.14 -3.828566844e-01 4.16 -3.762301734e-01 4.18 -3.697020335e-01 4.20 -3.632713957e-01 4.22 -3.569373608e-01 4.24 -3.506990028e-01 4.26 -3.445553713e-01 4.28 -3.385054945e-01 4.30 -3.325483812e-01 4.32 -3.266830236e-01 4.34 -3.209083992e-01 4.36 -3.152234728e-01 4.38 -3.096271985e-01 4.40 -3.041185214e-01 4.42 -2.986963792e-01 4.44 -2.933597039e-01 4.46 -2.881074231e-01 4.48 -2.829384612e-01 4.50 -2.778517410e-01 4.52 -2.728461844e-01 4.54 -2.679207140e-01 4.56 -2.630742535e-01 4.58 -2.583057290e-01 4.60 -2.536140699e-01 4.62 -2.489982095e-01 4.64 -2.444570856e-01 4.66 -2.399896416e-01 4.68 -2.355948268e-01 4.70 -2.312715347e-01 4.72 -2.270180320e-01 4.74 -2.228315178e-01 4.76 -2.187082063e-01 4.78 -2.146434569e-01 4.80 -2.106319070e-01 4.82 -2.066676066e-01 4.84 -2.027441527e-01 4.86 -1.988548221e-01 4.88 -1.949927023e-01 4.90 -1.911508173e-01 4.92 -1.873222492e-01 4.94 -1.835002523e-01 4.96 -1.796783613e-01 4.98 -1.758504905e-01 5.00 -1.720110244e-01 5.02 -1.681548983e-01 5.04 -1.642776700e-01 5.06 -1.603755800e-01 5.08 -1.564456013e-01 5.10 -1.524854788e-01 5.12 -1.484937577e-01 5.14 -1.444698007e-01 5.16 -1.404137953e-01 5.18 -1.363267507e-01 5.20 -1.322104845e-01 5.22 -1.280676008e-01 5.24 -1.239014588e-01 5.26 -1.197161336e-01 5.28 -1.155163698e-01 5.30 -1.113075284e-01 5.32 -1.070955272e-01 5.34 -1.028867772e-01 5.36 -9.868811415e-02 5.38 -9.450672704e-02 5.40 -9.035008437e-02 5.42 -8.622585862e-02 5.44 -8.214185025e-02 5.46 -7.810591177e-02 5.48 -7.412587291e-02 5.50 -7.020946747e-02 5.52 -6.636426264e-02 5.54 -6.259759157e-02 5.56 -5.891648962e-02 5.58 -5.532763497e-02 5.60 -5.183729408e-02 5.62 -4.845127240e-02 5.64 -4.517487062e-02 5.66 -4.201284691e-02 5.68 -3.896938524e-02 5.70 -3.604806987e-02 5.72 -3.325186632e-02 5.74 -3.058310851e-02 5.76 -2.804349227e-02 5.78 -2.563407494e-02 5.80 -2.335528095e-02 5.82 -2.120691309e-02 5.84 -1.918816923e-02 5.86 -1.729766404e-02 5.88 -1.553345551e-02 5.90 -1.389307567e-02 5.92 -1.237356514e-02 5.94 -1.097151104e-02 5.96 -9.683087805e-03 5.98 -8.504100244e-03 6.00 -7.430028533e-03 6.02 -6.456074478e-03 6.04 -5.577208598e-03 6.06 -4.788217516e-03 6.08 -4.083751160e-03 6.10 -3.458369317e-03 6.12 -2.906587084e-03 6.14 -2.422918800e-03 6.16 -2.001920074e-03 6.18 -1.638227547e-03 6.20 -1.326596074e-03 6.22 -1.061933049e-03 6.24 -8.393296288e-04 6.26 -6.540886601e-04 6.28 -5.017491556e-04 6.30 -3.781072058e-04 6.32 -2.792332546e-04 6.34 -2.014857124e-04 6.36 -1.415209155e-04 6.38 -9.629948549e-05 6.40 -6.308917419e-05 6.42 -3.946431806e-05 6.44 -2.330205729e-05 6.46 -1.277550417e-05 6.48 -6.344072414e-06 6.50 -2.741202227e-06 6.52 -9.597361150e-07 6.54 -2.352167203e-07 6.56 -2.739117372e-08 6.58 -2.157062563e-10 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