# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2008--Mendelev-M-I-Kramer-M-J-Becker-C-A-Asta-M--Al # implementation = 2008--Mendelev-M-I--Al--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 2024-11-27 r Al Al 0.02 5.000000000e+13 0.04 2.500000000e+13 0.06 1.666666667e+13 0.08 1.250000000e+13 0.10 1.000000000e+13 0.12 8.333333333e+12 0.14 7.142857143e+12 0.16 6.250000000e+12 0.18 5.555555556e+12 0.20 5.000000000e+12 0.22 4.545454545e+12 0.24 4.166666667e+12 0.26 3.846153846e+12 0.28 3.571428571e+12 0.30 3.333333333e+12 0.32 3.125000000e+12 0.34 2.941176471e+12 0.36 2.777777778e+12 0.38 2.631578947e+12 0.40 2.500000000e+12 0.42 2.380952381e+12 0.44 2.272727273e+12 0.46 2.173913043e+12 0.48 2.083333333e+12 0.50 1.618115612e+12 0.52 4.216917787e+02 0.54 3.793296193e+02 0.56 3.419707914e+02 0.58 3.089209389e+02 0.60 2.795966096e+02 0.62 2.535052775e+02 0.64 2.302293581e+02 0.66 2.094133372e+02 0.68 1.907533531e+02 0.70 1.739887188e+02 0.72 1.588949889e+02 0.74 1.452782691e+02 0.76 1.329705137e+02 0.78 1.218256386e+02 0.80 1.117162801e+02 0.82 1.025310944e+02 0.84 9.417248777e+01 0.86 8.655470881e+01 0.88 7.960223346e+01 0.90 7.324839968e+01 0.92 6.743423643e+01 0.94 6.210746879e+01 0.96 5.722166168e+01 0.98 5.273548268e+01 1.00 4.861206434e+01 1.02 4.481845294e+01 1.04 4.132512705e+01 1.06 3.810558120e+01 1.08 3.513596006e+01 1.10 3.239474098e+01 1.12 2.986248046e+01 1.14 2.752160312e+01 1.16 2.535620217e+01 1.18 2.335186008e+01 1.20 2.149548965e+01 1.22 1.977519694e+01 1.24 1.818015758e+01 1.26 1.670050889e+01 1.28 1.532725309e+01 1.30 1.405217325e+01 1.32 1.286775561e+01 1.34 1.176712363e+01 1.36 1.074397706e+01 1.38 9.792537185e+00 1.40 8.907500585e+00 1.42 8.083993149e+00 1.44 7.317533886e+00 1.46 6.603997589e+00 1.48 5.939585554e+00 1.50 5.320795758e+00 1.52 4.737141455e+00 1.54 4.180405313e+00 1.56 3.650567159e+00 1.58 3.147452613e+00 1.60 2.670750364e+00 1.62 2.220029078e+00 1.64 1.794753549e+00 1.66 1.394300004e+00 1.68 1.017970472e+00 1.70 6.650061717e-01 1.72 3.345998814e-01 1.74 2.590727504e-02 1.76 -2.619427701e-01 1.78 -5.298388692e-01 1.80 -7.786788267e-01 1.82 -1.009362266e+00 1.84 -1.222784171e+00 1.86 -1.419829275e+00 1.88 -1.601367253e+00 1.90 -1.768248653e+00 1.92 -1.921301509e+00 1.94 -2.061328588e+00 1.96 -2.189105195e+00 1.98 -2.305377494e+00 2.00 -2.410861288e+00 2.02 -2.506241202e+00 2.04 -2.592170225e+00 2.06 -2.669269559e+00 2.08 -2.738128740e+00 2.10 -2.799305987e+00 2.12 -2.853328743e+00 2.14 -2.900694377e+00 2.16 -2.941871012e+00 2.18 -2.977298463e+00 2.20 -3.007389257e+00 2.22 -3.032529699e+00 2.24 -3.053080994e+00 2.26 -3.069380387e+00 2.28 -3.081742315e+00 2.30 -3.090459543e+00 2.32 -3.094609344e+00 2.34 -3.094108738e+00 2.36 -3.090213276e+00 2.38 -3.083858459e+00 2.40 -3.075721161e+00 2.42 -3.066272658e+00 2.44 -3.055824185e+00 2.46 -3.044565445e+00 2.48 -3.032596875e+00 2.50 -3.019956368e+00 2.52 -3.006640901e+00 2.54 -2.992623733e+00 2.56 -2.977867744e+00 2.58 -2.962335278e+00 2.60 -2.945995189e+00 2.62 -2.928827339e+00 2.64 -2.910824947e+00 2.66 -2.891995347e+00 2.68 -2.872359395e+00 2.70 -2.851950105e+00 2.72 -2.830810413e+00 2.74 -2.808990535e+00 2.76 -2.786545075e+00 2.78 -2.763530326e+00 2.80 -2.740001685e+00 2.82 -2.716011475e+00 2.84 -2.691607093e+00 2.86 -2.666829663e+00 2.88 -2.641713340e+00 2.90 -2.616285376e+00 2.92 -2.590566540e+00 2.94 -2.564572316e+00 2.96 -2.538314461e+00 2.98 -2.511802937e+00 3.00 -2.485048153e+00 3.02 -2.458063153e+00 3.04 -2.430865767e+00 3.06 -2.403480165e+00 3.08 -2.375938140e+00 3.10 -2.348279387e+00 3.12 -2.320550567e+00 3.14 -2.292802928e+00 3.16 -2.265087907e+00 3.18 -2.237450361e+00 3.20 -2.209919087e+00 3.22 -2.182496426e+00 3.24 -2.155170064e+00 3.26 -2.127932280e+00 3.28 -2.100780839e+00 3.30 -2.073717971e+00 3.32 -2.046749343e+00 3.34 -2.019883216e+00 3.36 -1.993129819e+00 3.38 -1.966500521e+00 3.40 -1.940007387e+00 3.42 -1.913662740e+00 3.44 -1.887478521e+00 3.46 -1.861466301e+00 3.48 -1.835636591e+00 3.50 -1.809999025e+00 3.52 -1.784561890e+00 3.54 -1.759332227e+00 3.56 -1.734315651e+00 3.58 -1.709516370e+00 3.60 -1.684937171e+00 3.62 -1.660579531e+00 3.64 -1.636443474e+00 3.66 -1.612528105e+00 3.68 -1.588830942e+00 3.70 -1.565349203e+00 3.72 -1.542078422e+00 3.74 -1.519014236e+00 3.76 -1.496151171e+00 3.78 -1.473483364e+00 3.80 -1.451005401e+00 3.82 -1.428710522e+00 3.84 -1.406593101e+00 3.86 -1.384647499e+00 3.88 -1.362867407e+00 3.90 -1.341248450e+00 3.92 -1.319786053e+00 3.94 -1.298475372e+00 3.96 -1.277314011e+00 3.98 -1.256299962e+00 4.00 -1.235430127e+00 4.02 -1.214704353e+00 4.04 -1.194124314e+00 4.06 -1.173689251e+00 4.08 -1.153400598e+00 4.10 -1.133262627e+00 4.12 -1.113280356e+00 4.14 -1.093454844e+00 4.16 -1.073791190e+00 4.18 -1.054297018e+00 4.20 -1.034981075e+00 4.22 -1.015845048e+00 4.24 -9.968944767e-01 4.26 -9.781382676e-01 4.28 -9.595866556e-01 4.30 -9.412481903e-01 4.32 -9.231181523e-01 4.34 -9.052023354e-01 4.36 -8.875094496e-01 4.38 -8.700486156e-01 4.40 -8.528289904e-01 4.42 -8.358428830e-01 4.44 -8.190694670e-01 4.46 -8.025175598e-01 4.48 -7.861956960e-01 4.50 -7.701112697e-01 4.52 -7.542703796e-01 4.54 -7.386777156e-01 4.56 -7.231355307e-01 4.58 -7.074918009e-01 4.60 -6.919143548e-01 4.62 -6.765428289e-01 4.64 -6.614904980e-01 4.66 -6.468475790e-01 4.68 -6.326843400e-01 4.70 -6.190540359e-01 4.72 -6.059957036e-01 4.74 -5.937369739e-01 4.76 -5.822909483e-01 4.78 -5.712413848e-01 4.80 -5.602545786e-01 4.82 -5.490730820e-01 4.84 -5.375029601e-01 4.86 -5.254015476e-01 4.88 -5.126696685e-01 4.90 -4.992450276e-01 4.92 -4.850963445e-01 4.94 -4.702181494e-01 4.96 -4.546261932e-01 4.98 -4.383534088e-01 5.00 -4.214409554e-01 5.02 -4.038476585e-01 5.04 -3.857515316e-01 5.06 -3.673851269e-01 5.08 -3.489436308e-01 5.10 -3.305896060e-01 5.12 -3.124572063e-01 5.14 -2.946559350e-01 5.16 -2.772739765e-01 5.18 -2.603811403e-01 5.20 -2.440314773e-01 5.22 -2.282655666e-01 5.24 -2.131125390e-01 5.26 -1.985918431e-01 5.28 -1.847147897e-01 5.30 -1.714858965e-01 5.32 -1.589040537e-01 5.34 -1.469635382e-01 5.36 -1.356548767e-01 5.38 -1.249655934e-01 5.40 -1.148808482e-01 5.42 -1.053839726e-01 5.44 -9.645693059e-02 5.46 -8.808069866e-02 5.48 -8.023558892e-02 5.50 -7.290151181e-02 5.52 -6.605819556e-02 5.54 -5.968536563e-02 5.56 -5.376288433e-02 5.58 -4.827086837e-02 5.60 -4.318978107e-02 5.62 -3.850049005e-02 5.64 -3.418420159e-02 5.66 -3.022238503e-02 5.68 -2.659679577e-02 5.70 -2.328950470e-02 5.72 -2.028291977e-02 5.74 -1.755979986e-02 5.76 -1.510326689e-02 5.78 -1.289682063e-02 5.80 -1.092434472e-02 5.82 -9.170115234e-03 5.84 -7.618810119e-03 5.86 -6.255520162e-03 5.88 -5.065759634e-03 5.90 -4.035477411e-03 5.92 -3.151074777e-03 5.94 -2.399414979e-03 5.96 -1.767847980e-03 5.98 -1.244222120e-03 6.00 -8.169080056e-04 6.02 -4.748209481e-04 6.04 -2.074352784e-04 6.06 -4.815458741e-06 6.08 1.423707781e-04 6.10 2.428291201e-04 6.12 3.046174003e-04 6.14 3.351319030e-04 6.16 3.410915578e-04 6.18 3.285268369e-04 6.20 3.027726907e-04 6.22 2.684673852e-04 6.24 2.295543244e-04 6.26 1.892910440e-04 6.28 1.502689669e-04 6.30 1.144334416e-04 6.32 8.312326689e-05 6.34 5.710960794e-05 6.36 3.665095178e-05 6.38 2.156134619e-05 6.40 1.128771215e-05 6.42 5.001500655e-06 6.44 1.706674102e-06 6.46 3.625129763e-07 6.48 2.407744097e-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