# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Pascuet-M-I-Fernandez-J-R--Al # implementation = 2015--Pascuet-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 2022-05-24 r Al Al 0.02 1.036802263e+05 0.04 4.482707708e+04 0.06 2.632261277e+04 0.08 1.760538736e+04 0.10 1.268202660e+04 0.12 9.589301241e+03 0.14 7.504319016e+03 0.16 6.025887070e+03 0.18 4.937032055e+03 0.20 4.111083197e+03 0.22 3.469578489e+03 0.24 2.961574229e+03 0.26 2.552699898e+03 0.28 2.219016265e+03 0.30 1.943400146e+03 0.32 1.713324221e+03 0.34 1.519444635e+03 0.36 1.354675257e+03 0.38 1.213563536e+03 0.40 1.091860007e+03 0.42 9.862152820e+02 0.44 8.939624663e+02 0.46 8.129586030e+02 0.48 7.414673954e+02 0.50 6.780712117e+02 0.52 6.216044251e+02 0.54 5.711023091e+02 0.56 5.257614679e+02 0.58 4.849089888e+02 0.60 4.479781501e+02 0.62 4.144891665e+02 0.64 3.840338415e+02 0.66 3.562632267e+02 0.68 3.308776605e+02 0.70 3.076186830e+02 0.72 2.862624250e+02 0.74 2.666141931e+02 0.76 2.485040044e+02 0.78 2.317828868e+02 0.80 2.163198084e+02 0.82 2.019991110e+02 0.84 1.887183602e+02 0.86 1.763865381e+02 0.88 1.649225168e+02 0.90 1.542537645e+02 0.92 1.443152480e+02 0.94 1.350484936e+02 0.96 1.264007859e+02 0.98 1.183244794e+02 1.00 1.107764048e+02 1.02 1.037174377e+02 1.04 9.716965632e+01 1.06 9.140981828e+01 1.08 8.632168424e+01 1.10 8.175367299e+01 1.12 7.758798470e+01 1.14 7.373401141e+01 1.16 7.012289055e+01 1.18 6.670303804e+01 1.20 6.343649220e+01 1.22 6.029593224e+01 1.24 5.726226175e+01 1.26 5.432265609e+01 1.28 5.146899534e+01 1.30 4.869661553e+01 1.32 4.600331971e+01 1.34 4.338860332e+01 1.36 4.085305355e+01 1.38 3.839788981e+01 1.40 3.602461858e+01 1.42 3.373477956e+01 1.44 3.152976483e+01 1.46 2.941069552e+01 1.48 2.737834350e+01 1.50 2.543308784e+01 1.52 2.357489758e+01 1.54 2.180333428e+01 1.56 2.011756877e+01 1.58 1.851640778e+01 1.60 1.699832726e+01 1.62 1.556150941e+01 1.64 1.420388164e+01 1.66 1.292315569e+01 1.68 1.171686599e+01 1.70 1.058240610e+01 1.72 9.517063033e+00 1.74 8.518048753e+00 1.76 7.582528866e+00 1.78 6.707648307e+00 1.80 5.890554051e+00 1.82 5.128414958e+00 1.84 4.418438836e+00 1.86 3.757886912e+00 1.88 3.144085896e+00 1.90 2.574437824e+00 1.92 2.046427901e+00 1.94 1.557630522e+00 1.96 1.105713705e+00 1.98 6.884420926e-01 2.00 3.036787102e-01 2.02 -5.061432737e-02 2.04 -3.763760473e-01 2.06 -6.754476139e-01 2.08 -9.495739672e-01 2.10 -1.200406005e+00 2.12 -1.429503176e+00 2.14 -1.638336419e+00 2.16 -1.828291358e+00 2.18 -2.000671667e+00 2.20 -2.156702576e+00 2.22 -2.297534438e+00 2.24 -2.424246317e+00 2.26 -2.537849582e+00 2.28 -2.639292069e+00 2.30 -2.729464189e+00 2.32 -2.809203462e+00 2.34 -2.879297697e+00 2.36 -2.940487941e+00 2.38 -2.993471212e+00 2.40 -3.038903043e+00 2.42 -3.077399845e+00 2.44 -3.109541104e+00 2.46 -3.135871406e+00 2.48 -3.156902319e+00 2.50 -3.173114134e+00 2.52 -3.184957463e+00 2.54 -3.192854731e+00 2.56 -3.197201538e+00 2.58 -3.198367926e+00 2.60 -3.196699557e+00 2.62 -3.192518794e+00 2.64 -3.186125724e+00 2.66 -3.177799106e+00 2.68 -3.167797270e+00 2.70 -3.156358978e+00 2.72 -3.143704240e+00 2.74 -3.130035113e+00 2.76 -3.115536481e+00 2.78 -3.100376823e+00 2.80 -3.084708974e+00 2.82 -3.068670893e+00 2.84 -3.052386425e+00 2.86 -3.035966073e+00 2.88 -3.019510790e+00 2.90 -3.003129957e+00 2.92 -2.986926957e+00 2.94 -2.970990366e+00 2.96 -2.955395162e+00 2.98 -2.940203913e+00 3.00 -2.925467925e+00 3.02 -2.911228329e+00 3.04 -2.897517119e+00 3.06 -2.884358129e+00 3.08 -2.871767953e+00 3.10 -2.859756810e+00 3.12 -2.848329338e+00 3.14 -2.837485339e+00 3.16 -2.827220454e+00 3.18 -2.817526788e+00 3.20 -2.808393472e+00 3.22 -2.799807169e+00 3.24 -2.791752533e+00 3.26 -2.784212616e+00 3.28 -2.777169221e+00 3.30 -2.770603227e+00 3.32 -2.764494858e+00 3.34 -2.758823926e+00 3.36 -2.753570034e+00 3.38 -2.748712757e+00 3.40 -2.744231784e+00 3.42 -2.740107048e+00 3.44 -2.736318823e+00 3.46 -2.732847816e+00 3.48 -2.729675225e+00 3.50 -2.726782801e+00 3.52 -2.724152879e+00 3.54 -2.721768416e+00 3.56 -2.719613003e+00 3.58 -2.717670886e+00 3.60 -2.715926961e+00 3.62 -2.714366783e+00 3.64 -2.712976556e+00 3.66 -2.711743126e+00 3.68 -2.710653969e+00 3.70 -2.709697174e+00 3.72 -2.708861432e+00 3.74 -2.708136014e+00 3.76 -2.707510750e+00 3.78 -2.706976015e+00 3.80 -2.706522704e+00 3.82 -2.706142211e+00 3.84 -2.705826412e+00 3.86 -2.705567639e+00 3.88 -2.705358663e+00 3.90 -2.705192671e+00 3.92 -2.705063247e+00 3.94 -2.704964353e+00 3.96 -2.704890307e+00 3.98 -2.704835768e+00 4.00 -2.704795716e+00 4.02 -2.704765432e+00 4.04 -2.704740486e+00 4.06 -2.704716716e+00 4.08 -2.704690214e+00 4.10 -2.704657313e+00 4.12 -2.704614568e+00 4.14 -2.704558745e+00 4.16 -2.704486807e+00 4.18 -2.704395899e+00 4.20 -2.704283341e+00 4.22 -2.704146609e+00 4.24 -2.703983329e+00 4.26 -2.703791265e+00 4.28 -2.703568309e+00 4.30 -2.703312469e+00 4.32 -2.703021861e+00 4.34 -2.702694702e+00 4.36 -2.702329299e+00 4.38 -2.701924043e+00 4.40 -2.701477398e+00 4.42 -2.700987899e+00 4.44 -2.700454139e+00 4.46 -2.699874768e+00 4.48 -2.699248484e+00 4.50 -2.698574026e+00 4.52 -2.697850172e+00 4.54 -2.697075731e+00 4.56 -2.696249539e+00 4.58 -2.695370454e+00 4.60 -2.694437352e+00 4.62 -2.693449121e+00 4.64 -2.692404662e+00 4.66 -2.691302880e+00 4.68 -2.690142682e+00 4.70 -2.688922976e+00 4.72 -2.687642665e+00 4.74 -2.686300645e+00 4.76 -2.684895806e+00 4.78 -2.683427021e+00 4.80 -2.681893154e+00 4.82 -2.680293051e+00 4.84 -2.678625537e+00 4.86 -2.676889422e+00 4.88 -2.675083489e+00 4.90 -2.673206503e+00 4.92 -2.670581355e+00 4.94 -2.656487366e+00 4.96 -2.545960607e+00 4.98 -1.852921810e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 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