# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Al-Awad-A-S-Batet-L-Sedano-L--Li # implementation = 2023--Al-Awad-A-S--Li--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 2023-10-24 r Li Li 0.02 2.106509820e+02 0.04 1.207228104e+02 0.06 8.628874785e+01 0.08 6.753593843e+01 0.10 5.555843678e+01 0.12 4.716854443e+01 0.14 4.092509326e+01 0.16 3.607572761e+01 0.18 3.218701742e+01 0.20 2.899060898e+01 0.22 2.631093643e+01 0.24 2.402801854e+01 0.26 2.205690624e+01 0.28 2.033566439e+01 0.30 1.881800793e+01 0.32 1.746861007e+01 0.34 1.626001189e+01 0.36 1.517052770e+01 0.38 1.418278954e+01 0.40 1.328271340e+01 0.42 1.245875072e+01 0.44 1.170133679e+01 0.46 1.100247816e+01 0.48 1.035543949e+01 0.50 9.754502873e+00 0.52 9.194780761e+00 0.54 8.672068968e+00 0.56 8.182730017e+00 0.58 7.723599768e+00 0.60 7.291912033e+00 0.62 6.885237255e+00 0.64 6.501432260e+00 0.66 6.138598813e+00 0.68 5.795049217e+00 0.70 5.469277592e+00 0.72 5.159935765e+00 0.74 4.865812919e+00 0.76 4.585818345e+00 0.78 4.318966742e+00 0.80 4.064365638e+00 0.82 3.821204592e+00 0.84 3.588752518e+00 0.86 3.366573551e+00 0.88 3.154151561e+00 0.90 2.950897705e+00 0.92 2.756270714e+00 0.94 2.569772135e+00 0.96 2.390942141e+00 0.98 2.219355826e+00 1.00 2.054619869e+00 1.02 1.897544647e+00 1.04 1.749023335e+00 1.06 1.608541755e+00 1.08 1.473896448e+00 1.10 1.343759240e+00 1.12 1.217922955e+00 1.14 1.096194621e+00 1.16 9.783942504e-01 1.18 8.643537320e-01 1.20 7.539158443e-01 1.22 6.475855567e-01 1.24 5.472595694e-01 1.26 4.527726121e-01 1.28 3.638088771e-01 1.30 2.800706242e-01 1.32 2.012770767e-01 1.34 1.271633960e-01 1.36 5.747972493e-02 1.38 -8.009703624e-03 1.40 -6.952739882e-02 1.42 -1.275788462e-01 1.44 -1.829751701e-01 1.46 -2.358601553e-01 1.48 -2.863471444e-01 1.50 -3.345431980e-01 1.52 -3.805494717e-01 1.54 -4.244615689e-01 1.56 -4.663698695e-01 1.58 -5.063598370e-01 1.60 -5.445123054e-01 1.62 -5.809037479e-01 1.64 -6.156065282e-01 1.66 -6.486891362e-01 1.68 -6.802164082e-01 1.70 -7.102497343e-01 1.72 -7.388472523e-01 1.74 -7.660640302e-01 1.76 -7.919522374e-01 1.78 -8.165510456e-01 1.80 -8.396988311e-01 1.82 -8.613741956e-01 1.84 -8.816399037e-01 1.86 -9.005553794e-01 1.88 -9.181768848e-01 1.90 -9.345576879e-01 1.92 -9.497482216e-01 1.94 -9.637962342e-01 1.96 -9.767469316e-01 1.98 -9.886431114e-01 2.00 -9.995252907e-01 2.02 -1.009431826e+00 2.04 -1.018399026e+00 2.06 -1.026461264e+00 2.08 -1.033651683e+00 2.10 -1.039996493e+00 2.12 -1.045528660e+00 2.14 -1.050279135e+00 2.16 -1.054278509e+00 2.18 -1.057556932e+00 2.20 -1.060144057e+00 2.22 -1.062068987e+00 2.24 -1.063360234e+00 2.26 -1.064045685e+00 2.28 -1.064152579e+00 2.30 -1.063707482e+00 2.32 -1.062736281e+00 2.34 -1.061264164e+00 2.36 -1.059315623e+00 2.38 -1.056914448e+00 2.40 -1.054083728e+00 2.42 -1.050845855e+00 2.44 -1.047222530e+00 2.46 -1.043234769e+00 2.48 -1.038902914e+00 2.50 -1.034246640e+00 2.52 -1.029284970e+00 2.54 -1.024036285e+00 2.56 -1.018518338e+00 2.58 -1.012748266e+00 2.60 -1.006742604e+00 2.62 -1.000517303e+00 2.64 -9.940877361e-01 2.66 -9.874687219e-01 2.68 -9.806745332e-01 2.70 -9.737189134e-01 2.72 -9.666150907e-01 2.74 -9.593757921e-01 2.76 -9.520132580e-01 2.78 -9.445392554e-01 2.80 -9.369650920e-01 2.82 -9.293016296e-01 2.84 -9.215592970e-01 2.86 -9.137481034e-01 2.88 -9.058776502e-01 2.90 -8.979571442e-01 2.92 -8.899954088e-01 2.94 -8.820008964e-01 2.96 -8.739816994e-01 2.98 -8.659455613e-01 3.00 -8.578998876e-01 3.02 -8.498517565e-01 3.04 -8.418079287e-01 3.06 -8.337748576e-01 3.08 -8.257586989e-01 3.10 -8.177653199e-01 3.12 -8.098003084e-01 3.14 -8.018689819e-01 3.16 -7.939763959e-01 3.18 -7.861273522e-01 3.20 -7.783264070e-01 3.22 -7.705778787e-01 3.24 -7.628858555e-01 3.26 -7.552542025e-01 3.28 -7.476865693e-01 3.30 -7.401863966e-01 3.32 -7.327569229e-01 3.34 -7.254011912e-01 3.36 -7.181220552e-01 3.38 -7.109221853e-01 3.40 -7.038040751e-01 3.42 -6.967700464e-01 3.44 -6.898222557e-01 3.46 -6.829626988e-01 3.48 -6.761932168e-01 3.50 -6.695155009e-01 3.52 -6.629310977e-01 3.54 -6.564414137e-01 3.56 -6.500477204e-01 3.58 -6.437511586e-01 3.60 -6.375527434e-01 3.62 -6.314533680e-01 3.64 -6.254538085e-01 3.66 -6.195547274e-01 3.68 -6.137566784e-01 3.70 -6.080601098e-01 3.72 -6.024653686e-01 3.74 -5.969727041e-01 3.76 -5.915822716e-01 3.78 -5.862941360e-01 3.80 -5.811082754e-01 3.82 -5.760245842e-01 3.84 -5.710428764e-01 3.86 -5.661628892e-01 3.88 -5.613842859e-01 3.90 -5.567066589e-01 3.92 -5.521295327e-01 3.94 -5.476523672e-01 3.96 -5.432745601e-01 3.98 -5.389954498e-01 4.00 -5.348143183e-01 4.02 -5.307303938e-01 4.04 -5.267428531e-01 4.06 -5.228508245e-01 4.08 -5.190533900e-01 4.10 -5.153495877e-01 4.12 -5.117384142e-01 4.14 -5.082188274e-01 4.16 -5.047897477e-01 4.18 -5.014500613e-01 4.20 -4.981986218e-01 4.22 -4.950342520e-01 4.24 -4.919557468e-01 4.26 -4.889618744e-01 4.28 -4.860513785e-01 4.30 -4.832229806e-01 4.32 -4.804753810e-01 4.34 -4.778072615e-01 4.36 -4.752172865e-01 4.38 -4.727041052e-01 4.40 -4.702663526e-01 4.42 -4.679026521e-01 4.44 -4.656116161e-01 4.46 -4.633918481e-01 4.48 -4.612419441e-01 4.50 -4.591604938e-01 4.52 -4.571460825e-01 4.54 -4.551972920e-01 4.56 -4.533127019e-01 4.58 -4.514908915e-01 4.60 -4.497304403e-01 4.62 -4.480299296e-01 4.64 -4.463879436e-01 4.66 -4.448030705e-01 4.68 -4.432739038e-01 4.70 -4.417990428e-01 4.72 -4.403770942e-01 4.74 -4.390066729e-01 4.76 -4.376864028e-01 4.78 -4.364149177e-01 4.80 -4.351908623e-01 4.82 -4.340128932e-01 4.84 -4.328796792e-01 4.86 -4.317899026e-01 4.88 -4.307422595e-01 4.90 -4.297354607e-01 4.92 -4.287682324e-01 4.94 -4.278393169e-01 4.96 -4.269474727e-01 4.98 -4.260914757e-01 5.00 -4.252701195e-01 5.02 -4.244822157e-01 5.04 -4.237265946e-01 5.06 -4.230021055e-01 5.08 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