# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Purja-Pun-G-P-Yamakov-V-Hickman-J-et-al--Al # implementation = 2020--Purja-Pun-G-P--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 1.689618172e+03 0.04 1.575613389e+03 0.06 1.469254139e+03 0.08 1.370028939e+03 0.10 1.277460490e+03 0.12 1.191103392e+03 0.14 1.110542016e+03 0.16 1.035388510e+03 0.18 9.652809496e+02 0.20 8.998816011e+02 0.22 8.388753082e+02 0.24 7.819679823e+02 0.26 7.288851955e+02 0.28 6.793708668e+02 0.30 6.331860364e+02 0.32 5.901077217e+02 0.34 5.499278493e+02 0.36 5.124522594e+02 0.38 4.774997754e+02 0.40 4.449013365e+02 0.42 4.144991881e+02 0.44 3.861461258e+02 0.46 3.597047907e+02 0.48 3.350470107e+02 0.50 3.120531871e+02 0.52 2.906117207e+02 0.54 2.706184779e+02 0.56 2.519762908e+02 0.58 2.345944919e+02 0.60 2.183884794e+02 0.62 2.032793117e+02 0.64 1.891933286e+02 0.66 1.760617987e+02 0.68 1.638205893e+02 0.70 1.524098592e+02 0.72 1.417737717e+02 0.74 1.318602268e+02 0.76 1.226206111e+02 0.78 1.140095651e+02 0.80 1.059847655e+02 0.82 9.850672213e+01 0.84 9.153858850e+01 0.86 8.504598533e+01 0.88 7.899683549e+01 0.90 7.336121022e+01 0.92 6.811118556e+01 0.94 6.322070845e+01 0.96 5.866547176e+01 0.98 5.442279772e+01 1.00 5.047152911e+01 1.02 4.679192776e+01 1.04 4.336557990e+01 1.06 4.017530772e+01 1.08 3.720508699e+01 1.10 3.443997005e+01 1.12 3.186601410e+01 1.14 2.947021411e+01 1.16 2.724044038e+01 1.18 2.516538014e+01 1.20 2.323448310e+01 1.22 2.143791063e+01 1.24 1.976648830e+01 1.26 1.821166159e+01 1.28 1.676545455e+01 1.30 1.542043118e+01 1.32 1.416965937e+01 1.34 1.300667727e+01 1.36 1.192546181e+01 1.38 1.092039940e+01 1.40 9.986258421e+00 1.42 9.118163686e+00 1.44 8.311572466e+00 1.46 7.562252140e+00 1.48 6.866259316e+00 1.50 6.219920307e+00 1.52 5.619812907e+00 1.54 5.062749354e+00 1.56 4.545760416e+00 1.58 4.066080531e+00 1.60 3.621133922e+00 1.62 3.208521627e+00 1.64 2.826009395e+00 1.66 2.471516382e+00 1.68 2.143104601e+00 1.70 1.838969079e+00 1.72 1.557428671e+00 1.74 1.296917500e+00 1.76 1.055976967e+00 1.78 8.332483166e-01 1.80 6.274657021e-01 1.82 4.374497294e-01 1.84 2.621014476e-01 1.86 1.003967555e-01 1.88 -4.861880192e-02 1.90 -1.858348725e-01 1.92 -3.120807964e-01 1.94 -4.281297874e-01 1.96 -5.347028179e-01 1.98 -6.324722281e-01 2.00 -7.220650765e-01 2.02 -8.040662518e-01 2.04 -8.790213599e-01 2.06 -9.474394037e-01 2.08 -1.009795269e+00 2.10 -1.066532031e+00 2.12 -1.118063092e+00 2.14 -1.164774164e+00 2.16 -1.207025111e+00 2.18 -1.245151651e+00 2.20 -1.279466937e+00 2.22 -1.310263023e+00 2.24 -1.337812227e+00 2.26 -1.362368387e+00 2.28 -1.384168039e+00 2.30 -1.403431496e+00 2.32 -1.420363865e+00 2.34 -1.435155986e+00 2.36 -1.447985305e+00 2.38 -1.459016691e+00 2.40 -1.468403200e+00 2.42 -1.476286785e+00 2.44 -1.482798965e+00 2.46 -1.488061449e+00 2.48 -1.492186729e+00 2.50 -1.495278628e+00 2.52 -1.497432832e+00 2.54 -1.498737378e+00 2.56 -1.499273125e+00 2.58 -1.499114200e+00 2.60 -1.498328421e+00 2.62 -1.496977697e+00 2.64 -1.495118415e+00 2.66 -1.492801801e+00 2.68 -1.490074273e+00 2.70 -1.486977774e+00 2.72 -1.483550087e+00 2.74 -1.479825141e+00 2.76 -1.475833303e+00 2.78 -1.471601650e+00 2.80 -1.467154237e+00 2.82 -1.462512349e+00 2.84 -1.457694736e+00 2.86 -1.452717845e+00 2.88 -1.447596034e+00 2.90 -1.442341774e+00 2.92 -1.436965847e+00 2.94 -1.431477524e+00 2.96 -1.425884736e+00 2.98 -1.420194237e+00 3.00 -1.414411750e+00 3.02 -1.408542108e+00 3.04 -1.402589381e+00 3.06 -1.396556999e+00 3.08 -1.390447855e+00 3.10 -1.384264408e+00 3.12 -1.378008771e+00 3.14 -1.371682792e+00 3.16 -1.365288126e+00 3.18 -1.358826297e+00 3.20 -1.352298757e+00 3.22 -1.345706925e+00 3.24 -1.339052237e+00 3.26 -1.332336168e+00 3.28 -1.325560266e+00 3.30 -1.318726166e+00 3.32 -1.311835609e+00 3.34 -1.304890442e+00 3.36 -1.297892629e+00 3.38 -1.290844244e+00 3.40 -1.283747467e+00 3.42 -1.276604575e+00 3.44 -1.269417927e+00 3.46 -1.262189946e+00 3.48 -1.254923105e+00 3.50 -1.247619902e+00 3.52 -1.240282835e+00 3.54 -1.232914382e+00 3.56 -1.225516970e+00 3.58 -1.218092950e+00 3.60 -1.210644565e+00 3.62 -1.203173928e+00 3.64 -1.195682986e+00 3.66 -1.188173493e+00 3.68 -1.180646984e+00 3.70 -1.173104742e+00 3.72 -1.165547774e+00 3.74 -1.157976780e+00 3.76 -1.150392131e+00 3.78 -1.142793842e+00 3.80 -1.135181549e+00 3.82 -1.127554486e+00 3.84 -1.119911471e+00 3.86 -1.112250882e+00 3.88 -1.104570642e+00 3.90 -1.096868213e+00 3.92 -1.089140576e+00 3.94 -1.081384234e+00 3.96 -1.073595197e+00 3.98 -1.065768992e+00 4.00 -1.057900656e+00 4.02 -1.049984749e+00 4.04 -1.042015361e+00 4.06 -1.033986126e+00 4.08 -1.025890239e+00 4.10 -1.017720480e+00 4.12 -1.009469242e+00 4.14 -1.001128554e+00 4.16 -9.926901260e-01 4.18 -9.841453803e-01 4.20 -9.754854987e-01 4.22 -9.667014694e-01 4.24 -9.577841381e-01 4.26 -9.487242642e-01 4.28 -9.395125800e-01 4.30 -9.301398528e-01 4.32 -9.205969517e-01 4.34 -9.108749154e-01 4.36 -9.009650239e-01 4.38 -8.908588715e-01 4.40 -8.805484416e-01 4.42 -8.700261821e-01 4.44 -8.592850822e-01 4.46 -8.483187478e-01 4.48 -8.371214772e-01 4.50 -8.256883347e-01 4.52 -8.140152220e-01 4.54 -8.020989470e-01 4.56 -7.899372883e-01 4.58 -7.775290556e-01 4.60 -7.648741446e-01 4.62 -7.519735856e-01 4.64 -7.388295854e-01 4.66 -7.254455614e-01 4.68 -7.118261676e-01 4.70 -6.979773112e-01 4.72 -6.839061602e-01 4.74 -6.696211409e-01 4.76 -6.551319248e-01 4.78 -6.404494056e-01 4.80 -6.255856657e-01 4.82 -6.105539315e-01 4.84 -5.953685196e-01 4.86 -5.800447727e-01 4.88 -5.645989866e-01 4.90 -5.490483288e-01 4.92 -5.334107493e-01 4.94 -5.177048856e-01 4.96 -5.019499616e-01 4.98 -4.861656829e-01 5.00 -4.703721289e-01 5.02 -4.545896439e-01 5.04 -4.388387269e-01 5.06 -4.231399244e-01 5.08 -4.075137234e-01 5.10 -3.919804499e-01 5.12 -3.765601707e-01 5.14 -3.612726024e-01 5.16 -3.461370252e-01 5.18 -3.311722058e-01 5.20 -3.163963268e-01 5.22 -3.018269257e-01 5.24 -2.874808410e-01 5.26 -2.733741687e-01 5.28 -2.595222260e-01 5.30 -2.459395249e-01 5.32 -2.326397529e-01 5.34 -2.196357624e-01 5.36 -2.069395675e-01 5.38 -1.945623475e-01 5.40 -1.825144569e-01 5.42 -1.708054415e-01 5.44 -1.594440589e-01 5.46 -1.484383040e-01 5.48 -1.377954383e-01 5.50 -1.275220225e-01 5.52 -1.176239510e-01 5.54 -1.081064892e-01 5.56 -9.897431162e-02 5.58 -9.023154147e-02 5.60 -8.188179021e-02 5.62 -7.392819732e-02 5.64 -6.637346971e-02 5.66 -5.921992036e-02 5.68 -5.246950597e-02 5.70 -4.612386337e-02 5.72 -4.018434437e-02 5.74 -3.465204895e-02 5.76 -2.952785665e-02 5.78 -2.481245596e-02 5.80 -2.050637159e-02 5.82 -1.660998974e-02 5.84 -1.312358102e-02 5.86 -1.004732119e-02 5.88 -7.381309676e-03 5.90 -5.125585702e-03 5.92 -3.280142228e-03 5.94 -1.844937556e-03 5.96 -8.199046778e-04 5.98 -2.049583619e-04 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