# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2021--Song-H-Mendelev-M-I--Al-Sm # implementation = 2021--Song-H--Al-Sm--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 Al Sm Sm Sm 0.02 4.367544468e+13 4.367544468e+13 4.367544468e+13 0.04 1.867544468e+13 1.867544468e+13 1.867544468e+13 0.06 1.034211135e+13 1.034211135e+13 1.034211135e+13 0.08 6.175444683e+12 6.175444683e+12 6.175444683e+12 0.10 1.252278208e+04 4.891196269e+04 2.018382717e+05 0.12 9.380260699e+03 3.562601049e+04 1.440231155e+05 0.14 7.261756892e+03 2.684966623e+04 1.064298163e+05 0.16 5.761048728e+03 2.075709728e+04 8.074919121e+04 0.18 4.657858023e+03 1.636898881e+04 6.255261722e+04 0.20 3.823298377e+03 1.311756023e+04 4.928821026e+04 0.22 3.177399618e+03 1.065337301e+04 3.939613147e+04 0.24 2.668165046e+03 8.751015990e+03 3.187825548e+04 0.26 2.260469474e+03 7.259496173e+03 2.607225346e+04 0.28 1.929820013e+03 6.074513197e+03 2.152547841e+04 0.30 1.658675960e+03 5.122165558e+03 1.792094496e+04 0.32 1.434187574e+03 4.348962323e+03 1.503205140e+04 0.34 1.246757038e+03 3.715477479e+03 1.269391360e+04 0.36 1.089094322e+03 3.192193774e+03 1.078468310e+04 0.38 9.555809462e+02 2.756708552e+03 9.213068592e+03 0.40 8.418310305e+02 2.391812534e+03 7.909822798e+03 0.42 7.443820570e+02 2.084142576e+03 6.821826813e+03 0.44 6.604729365e+02 1.823220488e+03 5.907912308e+03 0.46 5.878820716e+02 1.600756914e+03 5.135868370e+03 0.48 5.248074451e+02 1.410140373e+03 4.480269172e+03 0.50 4.697769920e+02 1.246057681e+03 3.920878801e+03 0.52 4.215809447e+02 1.104208892e+03 3.441467290e+03 0.54 3.792193129e+02 9.810910480e+02 3.028923108e+03 0.56 3.418609774e+02 8.738326304e+02 2.672581758e+03 0.58 3.088116685e+02 7.800659287e+02 2.363713454e+03 0.60 2.794886882e+02 6.978278399e+02 2.095129033e+03 0.62 2.534005372e+02 6.254821888e+02 1.860874478e+03 0.64 2.301302339e+02 5.616584945e+02 1.655992402e+03 0.66 2.093223726e+02 5.052033964e+02 1.476334534e+03 0.68 1.906728114e+02 4.551418930e+02 1.318413311e+03 0.70 1.739202848e+02 4.106462463e+02 1.179283686e+03 0.72 1.588395444e+02 3.710109414e+02 1.056448421e+03 0.74 1.452357285e+02 3.356323556e+02 9.477817670e+02 0.76 1.329398586e+02 3.039921562e+02 8.514676015e+02 0.78 1.218052231e+02 2.756437028e+02 7.659490339e+02 0.80 1.117041365e+02 2.502008614e+02 6.898871303e+02 0.82 1.025251736e+02 2.273287614e+02 6.221269464e+02 0.84 9.417084723e+01 2.067361262e+02 5.616694423e+02 0.86 8.655565062e+01 1.881688831e+02 5.076481565e+02 0.88 7.960440296e+01 1.714048180e+02 4.593097495e+02 0.90 7.325084515e+01 1.562490844e+02 4.159977093e+02 0.92 6.743640795e+01 1.425304051e+02 3.771386522e+02 0.94 6.210912416e+01 1.300978674e+02 3.422307617e+02 0.96 5.722276509e+01 1.188182115e+02 3.108339998e+02 0.98 5.273611878e+01 1.085735232e+02 2.825617899e+02 1.00 4.861236988e+01 9.925926255e+01 2.570739282e+02 1.02 4.481573316e+01 9.080610664e+01 2.341003888e+02 1.04 4.131512294e+01 8.314749528e+01 2.133971140e+02 1.06 3.808558361e+01 7.620001473e+01 1.947179493e+02 1.08 3.510442175e+01 6.988983528e+01 1.778455576e+02 1.10 3.235098684e+01 6.415152358e+01 1.625878196e+02 1.12 2.980647972e+01 5.892701189e+01 1.487747095e+02 1.14 2.745378108e+01 5.416470256e+01 1.362555804e+02 1.16 2.527729114e+01 4.981869003e+01 1.248968033e+02 1.18 2.326278477e+01 4.584808270e+01 1.145797102e+02 1.20 2.139728139e+01 4.221641028e+01 1.051988009e+02 1.22 1.966892798e+01 3.889110589e+01 9.666017834e+01 1.24 1.806689376e+01 3.584305322e+01 8.888018031e+01 1.26 1.658127540e+01 3.304618990e+01 8.178418307e+01 1.28 1.520301160e+01 3.047715970e+01 7.530555330e+01 1.30 1.392380603e+01 2.811500729e+01 6.938472919e+01 1.32 1.273605786e+01 2.594090989e+01 6.396841397e+01 1.34 1.163279893e+01 2.393794114e+01 5.900886722e+01 1.36 1.060763706e+01 2.209086306e+01 5.446328156e+01 1.38 9.654704775e+00 2.038594260e+01 5.029323374e+01 1.40 8.768612863e+00 1.881078951e+01 4.646420087e+01 1.42 7.944408390e+00 1.735421316e+01 4.294513357e+01 1.44 7.177536610e+00 1.600609572e+01 3.970807885e+01 1.46 6.463806455e+00 1.475727978e+01 3.672784682e+01 1.48 5.799359221e+00 1.359946874e+01 3.398171557e+01 1.50 5.180640143e+00 1.252513829e+01 3.144916987e+01 1.52 4.604372570e+00 1.152745773e+01 2.911166930e+01 1.54 4.067534498e+00 1.060021998e+01 2.695244253e+01 1.56 3.567337219e+00 9.737779213e+00 2.495630452e+01 1.58 3.101205890e+00 8.934995228e+00 2.310949389e+01 1.60 2.666761846e+00 8.187183806e+00 2.139952821e+01 1.62 2.261806473e+00 7.490072351e+00 1.981507502e+01 1.64 1.884306508e+00 6.839760204e+00 1.834583683e+01 1.66 1.532380627e+00 6.232683113e+00 1.698244841e+01 1.68 1.204287204e+00 5.665581385e+00 1.571638505e+01 1.70 8.984131261e-01 5.135471326e+00 1.453988056e+01 1.72 6.132635705e-01 4.639619581e+00 1.344585375e+01 1.74 3.474526592e-01 4.175520078e+00 1.242784272e+01 1.76 9.969490426e-02 3.740873285e+00 1.147994579e+01 1.78 -1.312026239e-01 3.333567526e+00 1.059676861e+01 1.80 -3.463474710e-01 2.951662149e+00 9.773376566e+00 1.82 -5.467683754e-01 2.593372329e+00 9.005252037e+00 1.84 -7.334213003e-01 2.257055355e+00 8.288255936e+00 1.86 -9.071949692e-01 1.941198234e+00 7.618593058e+00 1.88 -1.068915949e+00 1.644406474e+00 6.992780867e+00 1.90 -1.219353318e+00 1.365393932e+00 6.407621338e+00 1.92 -1.359222964e+00 1.102973614e+00 5.860175538e+00 1.94 -1.489191524e+00 8.560493258e-01 5.347740662e+00 1.96 -1.609880026e+00 6.236081016e-01 4.867829273e+00 1.98 -1.721867233e+00 4.047133180e-01 4.418150514e+00 2.00 -1.825692724e+00 1.984984349e-01 3.996593097e+00 2.02 -1.921859735e+00 4.161298737e-03 3.601209887e+00 2.04 -2.010837785e+00 -1.790410484e-01 3.230203919e+00 2.06 -2.093065094e+00 -3.517971005e-01 2.881915711e+00 2.08 -2.168950812e+00 -5.147452062e-01 2.554811732e+00 2.10 -2.238877091e+00 -6.684775133e-01 2.247473932e+00 2.12 -2.303200988e+00 -8.135435746e-01 1.958590207e+00 2.14 -2.362256232e+00 -9.504536475e-01 1.686945726e+00 2.16 -2.416354857e+00 -1.079681716e+00 1.431415031e+00 2.18 -2.465788718e+00 -1.201668261e+00 1.190954829e+00 2.20 -2.510830889e+00 -1.316822801e+00 9.645974239e-01 2.22 -2.551736967e+00 -1.425526228e+00 7.514447187e-01 2.24 -2.588746276e+00 -1.528132950e+00 5.506627336e-01 2.26 -2.622082988e+00 -1.624972871e+00 3.614765986e-01 2.28 -2.651957161e+00 -1.716353202e+00 1.831659714e-01 2.30 -2.678565710e+00 -1.802560144e+00 1.506084356e-02 2.32 -2.701633351e+00 -1.883860432e+00 -1.434623007e-01 2.34 -2.720993939e+00 -1.960502761e+00 -2.929840056e-01 2.36 -2.736968477e+00 -2.032719112e+00 -4.340450732e-01 2.38 -2.749841120e+00 -2.100725973e+00 -5.671495266e-01 2.40 -2.759863371e+00 -2.164725468e+00 -6.927673316e-01 2.42 -2.767257986e+00 -2.224906413e+00 -8.113368985e-01 2.44 -2.772222587e+00 -2.281445283e+00 -9.232673814e-01 2.46 -2.774932985e+00 -2.334507123e+00 -1.028940794e+00 2.48 -2.775546221e+00 -2.384246388e+00 -1.128713960e+00 2.50 -2.774203326e+00 -2.430807725e+00 -1.222920305e+00 2.52 -2.771031810e+00 -2.474326698e+00 -1.311871515e+00 2.54 -2.766147892e+00 -2.514930476e+00 -1.395859058e+00 2.56 -2.759658461e+00 -2.552738455e+00 -1.475155600e+00 2.58 -2.751662796e+00 -2.587862858e+00 -1.550016301e+00 2.60 -2.742254055e+00 -2.620409277e+00 -1.620680019e+00 2.62 -2.731520510e+00 -2.650477195e+00 -1.687370425e+00 2.64 -2.719546482e+00 -2.678160459e+00 -1.750297030e+00 2.66 -2.706413065e+00 -2.703547729e+00 -1.809656140e+00 2.68 -2.692198737e+00 -2.726722900e+00 -1.865631738e+00 2.70 -2.676979821e+00 -2.747765487e+00 -1.918396305e+00 2.72 -2.660830760e+00 -2.766347929e+00 -1.968111580e+00 2.74 -2.643824154e+00 -2.782230701e+00 -2.014929264e+00 2.76 -2.626030648e+00 -2.795608212e+00 -2.058991676e+00 2.78 -2.607518810e+00 -2.806657034e+00 -2.100432368e+00 2.80 -2.588354927e+00 -2.815537143e+00 -2.139376683e+00 2.82 -2.568602708e+00 -2.822393173e+00 -2.175942291e+00 2.84 -2.548322834e+00 -2.827355690e+00 -2.210239679e+00 2.86 -2.527572456e+00 -2.830542459e+00 -2.242372610e+00 2.88 -2.506404784e+00 -2.832059691e+00 -2.272438548e+00 2.90 -2.484868698e+00 -2.832003265e+00 -2.300529064e+00 2.92 -2.463008389e+00 -2.830459919e+00 -2.326730204e+00 2.94 -2.440863062e+00 -2.827508379e+00 -2.351122845e+00 2.96 -2.418466717e+00 -2.823220445e+00 -2.373783013e+00 2.98 -2.395848039e+00 -2.817662007e+00 -2.394782199e+00 3.00 -2.373030428e+00 -2.810893984e+00 -2.414187640e+00 3.02 -2.350032175e+00 -2.802973201e+00 -2.432062592e+00 3.04 -2.326866727e+00 -2.793953175e+00 -2.448466580e+00 3.06 -2.303543156e+00 -2.783884817e+00 -2.463455637e+00 3.08 -2.280066985e+00 -2.772817046e+00 -2.477082529e+00 3.10 -2.256441312e+00 -2.760797324e+00 -2.489396962e+00 3.12 -2.232668245e+00 -2.747872083e+00 -2.500445782e+00 3.14 -2.208750690e+00 -2.734087081e+00 -2.510273165e+00 3.16 -2.184694518e+00 -2.719487653e+00 -2.518920783e+00 3.18 -2.160511129e+00 -2.704118892e+00 -2.526427978e+00 3.20 -2.136220484e+00 -2.688025732e+00 -2.532831919e+00 3.22 -2.111853816e+00 -2.671252965e+00 -2.538167742e+00 3.24 -2.087447934e+00 -2.653845174e+00 -2.542468699e+00 3.26 -2.063037361e+00 -2.635846606e+00 -2.545766282e+00 3.28 -2.038653599e+00 -2.617300982e+00 -2.548090351e+00 3.30 -2.014325209e+00 -2.598251256e+00 -2.549469255e+00 3.32 -1.990077772e+00 -2.578739328e+00 -2.550030030e+00 3.34 -1.965933966e+00 -2.558805728e+00 -2.549862795e+00 3.36 -1.941913769e+00 -2.538489274e+00 -2.548951070e+00 3.38 -1.918034381e+00 -2.517826726e+00 -2.547291378e+00 3.40 -1.894310459e+00 -2.496852442e+00 -2.544890434e+00 3.42 -1.870754294e+00 -2.475598054e+00 -2.541762697e+00 3.44 -1.847375705e+00 -2.454092161e+00 -2.537928250e+00 3.46 -1.824182538e+00 -2.432360087e+00 -2.533410986e+00 3.48 -1.801180405e+00 -2.410423702e+00 -2.528237083e+00 3.50 -1.778373229e+00 -2.388301336e+00 -2.522433722e+00 3.52 -1.755763105e+00 -2.366007773e+00 -2.516028053e+00 3.54 -1.733350663e+00 -2.343554363e+00 -2.509046364e+00 3.56 -1.711135131e+00 -2.320949324e+00 -2.501513444e+00 3.58 -1.689114538e+00 -2.298198183e+00 -2.493452119e+00 3.60 -1.667285858e+00 -2.275304361e+00 -2.484882937e+00 3.62 -1.645645238e+00 -2.252270037e+00 -2.475823980e+00 3.64 -1.624187955e+00 -2.229097261e+00 -2.466290806e+00 3.66 -1.602908999e+00 -2.205789216e+00 -2.456296477e+00 3.68 -1.581802456e+00 -2.182351895e+00 -2.445851672e+00 3.70 -1.560862808e+00 -2.158796090e+00 -2.434964873e+00 3.72 -1.540083541e+00 -2.135139091e+00 -2.423642600e+00 3.74 -1.519458918e+00 -2.111401888e+00 -2.411889684e+00 3.76 -1.498982725e+00 -2.087604805e+00 -2.399709581e+00 3.78 -1.478648950e+00 -2.063767047e+00 -2.387104698e+00 3.80 -1.458452561e+00 -2.039906894e+00 -2.374076724e+00 3.82 -1.438387644e+00 -2.016041473e+00 -2.360626946e+00 3.84 -1.418449814e+00 -1.992187065e+00 -2.346756582e+00 3.86 -1.398634986e+00 -1.968358875e+00 -2.332467084e+00 3.88 -1.378938644e+00 -1.944571247e+00 -2.317760419e+00 3.90 -1.359358358e+00 -1.920837584e+00 -2.302639283e+00 3.92 -1.339891575e+00 -1.897170395e+00 -2.287107339e+00 3.94 -1.320535466e+00 -1.873581371e+00 -2.271169406e+00 3.96 -1.301289568e+00 -1.850081306e+00 -2.254831541e+00 3.98 -1.282153653e+00 -1.826680262e+00 -2.238101130e+00 4.00 -1.263126183e+00 -1.803387449e+00 -2.220986984e+00 4.02 -1.244208277e+00 -1.780211360e+00 -2.203499256e+00 4.04 -1.225402549e+00 -1.757159781e+00 -2.185649394e+00 4.06 -1.206708793e+00 -1.734239673e+00 -2.167450129e+00 4.08 -1.188128574e+00 -1.711457571e+00 -2.148915203e+00 4.10 -1.169665843e+00 -1.688818949e+00 -2.130059264e+00 4.12 -1.151324818e+00 -1.666329210e+00 -2.110897705e+00 4.14 -1.133105277e+00 -1.643992513e+00 -2.091446235e+00 4.16 -1.115010550e+00 -1.621813022e+00 -2.071720861e+00 4.18 -1.097046005e+00 -1.599793998e+00 -2.051737375e+00 4.20 -1.079217678e+00 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