# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Al # implementation = 2003--Lee-B-J--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 4.975659951e+02 0.04 4.734661677e+02 0.06 4.504710482e+02 0.08 4.285317592e+02 0.10 4.076015248e+02 0.12 3.876355823e+02 0.14 3.685910980e+02 0.16 3.504270862e+02 0.18 3.331043316e+02 0.20 3.165853147e+02 0.22 3.008341406e+02 0.24 2.858164704e+02 0.26 2.714994556e+02 0.28 2.578516748e+02 0.30 2.448430740e+02 0.32 2.324449081e+02 0.34 2.206296856e+02 0.36 2.093711156e+02 0.38 1.986440565e+02 0.40 1.884244672e+02 0.42 1.786893603e+02 0.44 1.694167570e+02 0.46 1.605856445e+02 0.48 1.521759341e+02 0.50 1.441684221e+02 0.52 1.365447517e+02 0.54 1.292873767e+02 0.56 1.223795268e+02 0.58 1.158051743e+02 0.60 1.095490017e+02 0.62 1.035963717e+02 0.64 9.793329765e+01 0.66 9.254641511e+01 0.68 8.742295541e+01 0.70 8.255071965e+01 0.72 7.791805400e+01 0.74 7.351382612e+01 0.76 6.932740242e+01 0.78 6.534862644e+01 0.80 6.156779801e+01 0.82 5.797565340e+01 0.84 5.456334624e+01 0.86 5.132242928e+01 0.88 4.824483692e+01 0.90 4.532286851e+01 0.92 4.254917229e+01 0.94 3.991673010e+01 0.96 3.741884268e+01 0.98 3.504911564e+01 1.00 3.280144599e+01 1.02 3.067000930e+01 1.04 2.864924733e+01 1.06 2.673385629e+01 1.08 2.491877551e+01 1.10 2.319917670e+01 1.12 2.157045353e+01 1.14 2.002821184e+01 1.16 1.856826013e+01 1.18 1.718660052e+01 1.20 1.587942012e+01 1.22 1.464308278e+01 1.24 1.347412112e+01 1.26 1.236922907e+01 1.28 1.132525456e+01 1.30 1.033919268e+01 1.32 9.408179062e+00 1.34 8.529483548e+00 1.36 7.700504203e+00 1.38 6.918761521e+00 1.40 6.181892918e+00 1.42 5.487647452e+00 1.44 4.833880780e+00 1.46 4.218550316e+00 1.48 3.639710615e+00 1.50 3.095508935e+00 1.52 2.584181000e+00 1.54 2.104046941e+00 1.56 1.653507402e+00 1.58 1.231039826e+00 1.60 8.351948860e-01 1.62 4.645930843e-01 1.64 1.179214902e-01 1.66 -2.060693730e-01 1.68 -5.085685044e-01 1.70 -7.907072661e-01 1.72 -1.053562096e+00 1.74 -1.298157095e+00 1.76 -1.525466492e+00 1.78 -1.736416999e+00 1.80 -1.931890048e+00 1.82 -2.112723927e+00 1.84 -2.279715807e+00 1.86 -2.433623687e+00 1.88 -2.575168225e+00 1.90 -2.705034498e+00 1.92 -2.823873672e+00 1.94 -2.932304589e+00 1.96 -3.030915288e+00 1.98 -3.120264441e+00 2.00 -3.200882735e+00 2.02 -3.273274180e+00 2.04 -3.337917361e+00 2.06 -3.395266632e+00 2.08 -3.445753256e+00 2.10 -3.489786487e+00 2.12 -3.527754616e+00 2.14 -3.560025955e+00 2.16 -3.586949789e+00 2.18 -3.608857281e+00 2.20 -3.626062332e+00 2.22 -3.638862415e+00 2.24 -3.647539358e+00 2.26 -3.652360103e+00 2.28 -3.653577425e+00 2.30 -3.651430623e+00 2.32 -3.646146177e+00 2.34 -3.637938375e+00 2.36 -3.627009920e+00 2.38 -3.613552494e+00 2.40 -3.597747314e+00 2.42 -3.579765648e+00 2.44 -3.559769318e+00 2.46 -3.537911170e+00 2.48 -3.514335532e+00 2.50 -3.489178643e+00 2.52 -3.462569063e+00 2.54 -3.434628069e+00 2.56 -3.405470026e+00 2.58 -3.375202742e+00 2.60 -3.343927806e+00 2.62 -3.311740911e+00 2.64 -3.278732161e+00 2.66 -3.244986358e+00 2.68 -3.210583283e+00 2.70 -3.175597959e+00 2.72 -3.140100899e+00 2.74 -3.104158342e+00 2.76 -3.067832486e+00 2.78 -3.031181694e+00 2.80 -2.994260704e+00 2.82 -2.957120820e+00 2.84 -2.919810094e+00 2.86 -2.882373503e+00 2.88 -2.844853116e+00 2.90 -2.807288246e+00 2.92 -2.769715602e+00 2.94 -2.732169432e+00 2.96 -2.694681656e+00 2.98 -2.657281993e+00 3.00 -2.619998079e+00 3.02 -2.582855589e+00 3.04 -2.545878339e+00 3.06 -2.509088392e+00 3.08 -2.472506156e+00 3.10 -2.436150476e+00 3.12 -2.400038722e+00 3.14 -2.364186873e+00 3.16 -2.328609594e+00 3.18 -2.293320316e+00 3.20 -2.258331301e+00 3.22 -2.223653713e+00 3.24 -2.189297682e+00 3.26 -2.155272363e+00 3.28 -2.121585992e+00 3.30 -2.088245946e+00 3.32 -2.055258788e+00 3.34 -2.022630320e+00 3.36 -1.990365626e+00 3.38 -1.958469120e+00 3.40 -1.926944584e+00 3.42 -1.895795207e+00 3.44 -1.865023624e+00 3.46 -1.834631952e+00 3.48 -1.804621819e+00 3.50 -1.774994401e+00 3.52 -1.745750448e+00 3.54 -1.716890312e+00 3.56 -1.688413975e+00 3.58 -1.660321076e+00 3.60 -1.632610931e+00 3.62 -1.605282558e+00 3.64 -1.578334696e+00 3.66 -1.551765829e+00 3.68 -1.525574200e+00 3.70 -1.499757833e+00 3.72 -1.474314548e+00 3.74 -1.449241977e+00 3.76 -1.424537579e+00 3.78 -1.400198655e+00 3.80 -1.376222359e+00 3.82 -1.352605714e+00 3.84 -1.329345622e+00 3.86 -1.306438873e+00 3.88 -1.283882161e+00 3.90 -1.261672089e+00 3.92 -1.239805179e+00 3.94 -1.218277882e+00 3.96 -1.197086586e+00 3.98 -1.176227624e+00 4.00 -1.155697279e+00 4.02 -1.135491793e+00 4.04 -1.115607374e+00 4.06 -1.096040198e+00 4.08 -1.076786419e+00 4.10 -1.057842172e+00 4.12 -1.039203577e+00 4.14 -1.020866746e+00 4.16 -1.002827784e+00 4.18 -9.850827973e-01 4.20 -9.676278927e-01 4.22 -9.504591834e-01 4.24 -9.335727915e-01 4.26 -9.169648508e-01 4.28 -9.006315100e-01 4.30 -8.845689346e-01 4.32 -8.687733097e-01 4.34 -8.532408417e-01 4.36 -8.379677608e-01 4.38 -8.229503223e-01 4.40 -8.081848085e-01 4.42 -7.918514066e-01 4.44 -7.508854776e-01 4.46 -6.252937256e-01 4.48 -3.396220340e-01 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+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