# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2010--Mendelev-M-I-Rahman-M-J-Hoyt-J-J-Asta-M--fictional-Al-1 # implementation = 2010--Mendelev-M-I--fictional-Al-1--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 9.381916667e+03 0.14 7.259832990e+03 0.16 5.757742932e+03 0.18 4.654354687e+03 0.20 3.820167446e+03 0.22 3.174856334e+03 0.24 2.666233978e+03 0.26 2.259084262e+03 0.28 1.928880949e+03 0.30 1.658080757e+03 0.32 1.433845767e+03 0.34 1.246594948e+03 0.36 1.089055016e+03 0.38 9.556219630e+02 0.40 8.419214524e+02 0.42 7.444997753e+02 0.44 6.606024784e+02 0.46 5.880130787e+02 0.48 5.249337281e+02 0.50 4.698956740e+02 0.52 4.216912157e+02 0.54 3.793213993e+02 0.56 3.419553946e+02 0.58 3.088986508e+02 0.60 2.795677302e+02 0.62 2.534702733e+02 0.64 2.301889472e+02 0.66 2.093685134e+02 0.68 1.907053559e+02 0.70 1.739389635e+02 0.72 1.588449737e+02 0.74 1.452294689e+02 0.76 1.329242833e+02 0.78 1.217831250e+02 0.80 1.116783603e+02 0.82 1.024983359e+02 0.84 9.414513857e+01 0.86 8.653271174e+01 0.88 7.958526466e+01 0.90 7.323592067e+01 0.92 6.742556247e+01 0.94 6.210184002e+01 0.96 5.721831336e+01 0.98 5.273370809e+01 1.00 4.861126554e+01 1.02 4.481817337e+01 1.04 4.132506465e+01 1.06 3.810557646e+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 5.320795604e+00 1.52 4.739182285e+00 1.54 4.188016926e+00 1.56 3.666522701e+00 1.58 3.173859238e+00 1.60 2.709134102e+00 1.62 2.271413605e+00 1.64 1.859732745e+00 1.66 1.473104290e+00 1.68 1.110526996e+00 1.70 7.709930227e-01 1.72 4.534945407e-01 1.74 1.570295904e-01 1.76 -1.193927795e-01 1.78 -3.767480500e-01 1.80 -6.159924003e-01 1.82 -8.380594647e-01 1.84 -1.043857631e+00 1.86 -1.234267837e+00 1.88 -1.410141820e+00 1.90 -1.572300776e+00 1.92 -1.721534388e+00 1.94 -1.858600191e+00 1.96 -1.984223217e+00 1.98 -2.099095911e+00 2.00 -2.203878262e+00 2.02 -2.299198137e+00 2.04 -2.385651774e+00 2.06 -2.463804419e+00 2.08 -2.534191079e+00 2.10 -2.597317374e+00 2.12 -2.653660460e+00 2.14 -2.703670017e+00 2.16 -2.747769273e+00 2.18 -2.786356071e+00 2.20 -2.819803937e+00 2.22 -2.848463174e+00 2.24 -2.872661943e+00 2.26 -2.892707336e+00 2.28 -2.908886444e+00 2.30 -2.921467390e+00 2.32 -2.930700347e+00 2.34 -2.936818524e+00 2.36 -2.940039116e+00 2.38 -2.940564230e+00 2.40 -2.938581777e+00 2.42 -2.934641107e+00 2.44 -2.929353319e+00 2.46 -2.922927512e+00 2.48 -2.915505820e+00 2.50 -2.907179280e+00 2.52 -2.898001161e+00 2.54 -2.887998011e+00 2.56 -2.877178671e+00 2.58 -2.865541497e+00 2.60 -2.853080004e+00 2.62 -2.839787139e+00 2.64 -2.825658292e+00 2.66 -2.810693315e+00 2.68 -2.794897813e+00 2.70 -2.778283785e+00 2.72 -2.760869745e+00 2.74 -2.742680337e+00 2.76 -2.723745680e+00 2.78 -2.704100622e+00 2.80 -2.683783932e+00 2.82 -2.662837463e+00 2.84 -2.641305257e+00 2.86 -2.619232738e+00 2.88 -2.596666134e+00 2.90 -2.573652069e+00 2.92 -2.550237296e+00 2.94 -2.526468597e+00 2.96 -2.502392799e+00 2.98 -2.478056896e+00 3.00 -2.453508212e+00 3.02 -2.428794547e+00 3.04 -2.403964124e+00 3.06 -2.379065346e+00 3.08 -2.354146389e+00 3.10 -2.329254404e+00 3.12 -2.304434214e+00 3.14 -2.279726337e+00 3.16 -2.255164203e+00 3.18 -2.230770355e+00 3.20 -2.206551504e+00 3.22 -2.182493696e+00 3.24 -2.158571777e+00 3.26 -2.134762662e+00 3.28 -2.111046508e+00 3.30 -2.087406587e+00 3.32 -2.063829024e+00 3.34 -2.040302618e+00 3.36 -2.016818770e+00 3.38 -1.993371117e+00 3.40 -1.969955461e+00 3.42 -1.946569625e+00 3.44 -1.923213029e+00 3.46 -1.899886851e+00 3.48 -1.876593436e+00 3.50 -1.853336499e+00 3.52 -1.830120654e+00 3.54 -1.806951450e+00 3.56 -1.783835096e+00 3.58 -1.760778358e+00 3.60 -1.737788381e+00 3.62 -1.714872626e+00 3.64 -1.692038535e+00 3.66 -1.669293844e+00 3.68 -1.646645703e+00 3.70 -1.624101737e+00 3.72 -1.601668426e+00 3.74 -1.579352672e+00 3.76 -1.557160358e+00 3.78 -1.535096852e+00 3.80 -1.513167644e+00 3.82 -1.491376347e+00 3.84 -1.469727009e+00 3.86 -1.448222790e+00 3.88 -1.426865169e+00 3.90 -1.405656417e+00 3.92 -1.384597357e+00 3.94 -1.363687218e+00 3.96 -1.342926285e+00 3.98 -1.322313808e+00 4.00 -1.301846509e+00 4.02 -1.281522623e+00 4.04 -1.261340827e+00 4.06 -1.241296023e+00 4.08 -1.221384063e+00 4.10 -1.201602480e+00 4.12 -1.181948530e+00 4.14 -1.162414632e+00 4.16 -1.142996528e+00 4.18 -1.123691941e+00 4.20 -1.104499379e+00 4.22 -1.085410150e+00 4.24 -1.066419490e+00 4.26 -1.047526307e+00 4.28 -1.028731364e+00 4.30 -1.010034504e+00 4.32 -9.914232794e-01 4.34 -9.728969711e-01 4.36 -9.544591937e-01 4.38 -9.361155929e-01 4.40 -9.178736516e-01 4.42 -8.997259636e-01 4.44 -8.816540794e-01 4.46 -8.636713829e-01 4.48 -8.457932286e-01 4.50 -8.280361050e-01 4.52 -8.104174459e-01 4.54 -7.929554408e-01 4.56 -7.754678580e-01 4.58 -7.578199971e-01 4.60 -7.401985338e-01 4.62 -7.227631119e-01 4.64 -7.056477208e-01 4.66 -6.889634552e-01 4.68 -6.728009752e-01 4.70 -6.572326854e-01 4.72 -6.423146487e-01 4.74 -6.282884031e-01 4.76 -6.151766968e-01 4.78 -6.025673945e-01 4.80 -5.901239257e-01 4.82 -5.775779754e-01 4.84 -5.647213852e-01 4.86 -5.513993118e-01 4.88 -5.375026698e-01 4.90 -5.229612372e-01 4.92 -5.077375197e-01 4.94 -4.918213079e-01 4.96 -4.752248634e-01 4.98 -4.579786791e-01 5.00 -4.401223423e-01 5.02 -4.216138090e-01 5.04 -4.026307800e-01 5.06 -3.834059187e-01 5.08 -3.641348348e-01 5.10 -3.449807187e-01 5.12 -3.260784741e-01 5.14 -3.075383954e-01 5.16 -2.894494358e-01 5.18 -2.718821031e-01 5.20 -2.548910224e-01 5.22 -2.385171969e-01 5.24 -2.227899994e-01 5.26 -2.077289213e-01 5.28 -1.933451046e-01 5.30 -1.796426816e-01 5.32 -1.666199412e-01 5.34 -1.542703426e-01 5.36 -1.425833933e-01 5.38 -1.315454072e-01 5.40 -1.211401561e-01 5.42 -1.113494291e-01 5.44 -1.021535093e-01 5.46 -9.353157987e-02 5.48 -8.546206743e-02 5.50 -7.792293169e-02 5.52 -7.089190817e-02 5.54 -6.434671080e-02 5.56 -5.826520000e-02 5.58 -5.262552125e-02 5.60 -4.740621874e-02 5.62 -4.258631686e-02 5.64 -3.814527396e-02 5.66 -3.406292415e-02 5.68 -3.031951861e-02 5.70 -2.689576749e-02 5.72 -2.377287308e-02 5.74 -2.093255575e-02 5.76 -1.835707403e-02 5.78 -1.602923997e-02 5.80 -1.393243071e-02 5.82 -1.205059719e-02 5.84 -1.036827052e-02 5.86 -8.870566737e-03 5.88 -7.543190264e-03 5.90 -6.372436470e-03 5.92 -5.345193571e-03 5.94 -4.448944059e-03 5.96 -3.671765761e-03 5.98 -3.002332582e-03 6.00 -2.429914927e-03 6.02 -1.944379760e-03 6.04 -1.536190203e-03 6.06 -1.196404574e-03 6.08 -9.166746991e-04 6.10 -6.892433389e-04 6.12 -5.069405359e-04 6.14 -3.631786767e-04 6.16 -2.519460478e-04 6.18 -1.677986559e-04 6.20 -1.058500734e-04 6.22 -6.175906288e-05 6.24 -3.171473061e-05 6.26 -1.241895494e-05 6.28 -1.065833239e-06 6.30 4.682110812e-06 6.32 6.721218012e-06 6.34 6.537741475e-06 6.36 5.242909980e-06 6.38 3.612264683e-06 6.40 2.129526104e-06 6.42 1.035247160e-06 6.44 3.805067759e-07 6.46 8.589724284e-08 6.48 6.057117735e-09 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