# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Ahn-H-H-Hur-J-Xu-G-Ko-W-S--Mg-Sc # implementation = 2026--Ahn-H-H--Mg-Sc--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 2026-08-31 r Mg Mg Sc Sc Mg Sc 0.02 4.940460652e+02 1.641601551e+02 2.137953548e+02 0.04 4.707591272e+02 1.577511877e+02 2.069559851e+02 0.06 4.486172516e+02 1.516603340e+02 2.002012859e+02 0.08 4.275492719e+02 1.458618711e+02 1.935528859e+02 0.10 4.074911719e+02 1.403330649e+02 1.870273703e+02 0.12 3.883850148e+02 1.350537795e+02 1.806372572e+02 0.14 3.701780584e+02 1.300061391e+02 1.743917860e+02 0.16 3.528220227e+02 1.251742344e+02 1.682975551e+02 0.18 3.362724819e+02 1.205438673e+02 1.623590377e+02 0.20 3.204883607e+02 1.161023312e+02 1.565789994e+02 0.22 3.054315141e+02 1.118382193e+02 1.509588357e+02 0.24 2.910663770e+02 1.077412590e+02 1.454988453e+02 0.26 2.773596720e+02 1.038021681e+02 1.401984519e+02 0.28 2.642801626e+02 1.000125308e+02 1.350563831e+02 0.30 2.517984464e+02 9.636468953e+01 1.300708162e+02 0.32 2.398867791e+02 9.285165193e+01 1.252394960e+02 0.34 2.285189253e+02 8.946700952e+01 1.205598302e+02 0.36 2.176700310e+02 8.620486788e+01 1.160289676e+02 0.38 2.073165128e+02 8.305978576e+01 1.116438605e+02 0.40 1.974359633e+02 8.002672244e+01 1.074013166e+02 0.42 1.880070676e+02 7.710099202e+01 1.032980401e+02 0.44 1.790095302e+02 7.427822382e+01 9.933066562e+01 0.46 1.704240106e+02 7.155432798e+01 9.549578600e+01 0.48 1.622320656e+02 6.892546560e+01 9.178997423e+01 0.50 1.544160975e+02 6.638802278e+01 8.820980179e+01 0.52 1.469593075e+02 6.393858803e+01 8.475185329e+01 0.54 1.398456532e+02 6.157393269e+01 8.141273834e+01 0.56 1.330598098e+02 5.929099373e+01 7.818910117e+01 0.58 1.265871339e+02 5.708685882e+01 7.507762835e+01 0.60 1.204136305e+02 5.495875330e+01 7.207505496e+01 0.62 1.145259225e+02 5.290402871e+01 6.917816946e+01 0.64 1.089112211e+02 5.092015274e+01 6.638381763e+01 0.66 1.035572996e+02 4.900470046e+01 6.368890549e+01 0.68 9.845246719e+01 4.715534648e+01 6.109040160e+01 0.70 9.358554547e+01 4.536985814e+01 5.858533879e+01 0.72 8.894584544e+01 4.364608937e+01 5.617081532e+01 0.74 8.452314605e+01 4.198197532e+01 5.384399566e+01 0.76 8.030767372e+01 4.037552750e+01 5.160211096e+01 0.78 7.629008280e+01 3.882482947e+01 4.944245923e+01 0.80 7.246143708e+01 3.732803294e+01 4.736240522e+01 0.82 6.881319209e+01 3.588335432e+01 4.535938017e+01 0.84 6.533717815e+01 3.448907147e+01 4.343088138e+01 0.86 6.202558429e+01 3.314352086e+01 4.157447160e+01 0.88 5.887094283e+01 3.184509493e+01 3.978777836e+01 0.90 5.586611455e+01 3.059223965e+01 3.806849316e+01 0.92 5.300427469e+01 2.938345232e+01 3.641437061e+01 0.94 5.027889937e+01 2.821727946e+01 3.482322747e+01 0.96 4.768375269e+01 2.709231494e+01 3.329294165e+01 0.98 4.521287437e+01 2.600719816e+01 3.182145118e+01 1.00 4.286056784e+01 2.496061240e+01 3.040675311e+01 1.02 4.062138898e+01 2.395128323e+01 2.904690242e+01 1.04 3.849013519e+01 2.297797701e+01 2.774001086e+01 1.06 3.646183498e+01 2.203949954e+01 2.648424583e+01 1.08 3.453173804e+01 2.113469465e+01 2.527782918e+01 1.10 3.269530564e+01 2.026244301e+01 2.411903607e+01 1.12 3.094820154e+01 1.942166087e+01 2.300619373e+01 1.14 2.928628316e+01 1.861129892e+01 2.193768039e+01 1.16 2.770559325e+01 1.783034121e+01 2.091192397e+01 1.18 2.620235181e+01 1.707780404e+01 1.992740102e+01 1.20 2.477294843e+01 1.635273497e+01 1.898263546e+01 1.22 2.341393485e+01 1.565421184e+01 1.807619747e+01 1.24 2.212201799e+01 1.498134181e+01 1.720670234e+01 1.26 2.089405312e+01 1.433326047e+01 1.637280930e+01 1.28 1.972703740e+01 1.370913093e+01 1.557322041e+01 1.30 1.861810370e+01 1.310814299e+01 1.480667943e+01 1.32 1.756451463e+01 1.252951231e+01 1.407197074e+01 1.34 1.656365688e+01 1.197247963e+01 1.336791824e+01 1.36 1.561303579e+01 1.143630996e+01 1.269338430e+01 1.38 1.471027009e+01 1.092029188e+01 1.204726867e+01 1.40 1.385308696e+01 1.042373677e+01 1.142850749e+01 1.42 1.303931722e+01 9.945978153e+00 1.083607223e+01 1.44 1.226689080e+01 9.486370990e+00 1.026896875e+01 1.46 1.153383232e+01 9.044291023e+00 9.726236263e+00 1.48 1.083825693e+01 8.619134141e+00 9.206946395e+00 1.50 1.017836629e+01 8.210315756e+00 8.710202257e+00 1.52 9.552444761e+00 7.817270203e+00 8.235137513e+00 1.54 8.958855684e+00 7.439450158e+00 7.780915482e+00 1.56 8.396037910e+00 7.076326067e+00 7.346728249e+00 1.58 7.862502431e+00 6.727385603e+00 6.931795812e+00 1.60 7.356829154e+00 6.392133126e+00 6.535365234e+00 1.62 6.877663830e+00 6.070089172e+00 6.156709820e+00 1.64 6.423715114e+00 5.760789946e+00 5.795128319e+00 1.66 5.993751744e+00 5.463786839e+00 5.449944135e+00 1.68 5.586599851e+00 5.178645951e+00 5.120504563e+00 1.70 5.201140381e+00 4.904947639e+00 4.806180049e+00 1.72 4.836306629e+00 4.642286064e+00 4.506363457e+00 1.74 4.491081888e+00 4.390268766e+00 4.220469369e+00 1.76 4.164497190e+00 4.148516243e+00 3.947933392e+00 1.78 3.855629149e+00 3.916661545e+00 3.688211488e+00 1.80 3.563597907e+00 3.694349879e+00 3.440779324e+00 1.82 3.287565154e+00 3.481238228e+00 3.205131641e+00 1.84 3.026732251e+00 3.276994981e+00 2.980781629e+00 1.86 2.780338423e+00 3.081299572e+00 2.767260338e+00 1.88 2.547659039e+00 2.893842131e+00 2.564116090e+00 1.90 2.328003967e+00 2.714323146e+00 2.370913918e+00 1.92 2.120715994e+00 2.542453138e+00 2.187235013e+00 1.94 1.925169329e+00 2.377952339e+00 2.012676197e+00 1.96 1.740768157e+00 2.220550385e+00 1.846849401e+00 1.98 1.566945273e+00 2.069986018e+00 1.689381168e+00 2.00 1.403160758e+00 1.926006794e+00 1.539912164e+00 2.02 1.248900737e+00 1.788368804e+00 1.398096710e+00 2.04 1.103676165e+00 1.656836401e+00 1.263602321e+00 2.06 9.670216927e-01 1.531181933e+00 1.136109267e+00 2.08 8.384945650e-01 1.411185494e+00 1.015310141e+00 2.10 7.176735759e-01 1.296634665e+00 9.009094430e-01 2.12 6.041580696e-01 1.187324283e+00 7.926231796e-01 2.14 4.975669859e-01 1.083056205e+00 6.901784715e-01 2.16 3.975379461e-01 9.836390771e-01 5.933131748e-01 2.18 3.037263839e-01 8.888881229e-01 5.017755165e-01 2.20 2.158047117e-01 7.986249259e-01 4.153237378e-01 2.22 1.334615253e-01 7.126772251e-01 3.337257506e-01 2.24 5.640084653e-02 6.308787163e-01 2.567588053e-01 2.26 -1.565860401e-02 5.530688577e-01 1.842091668e-01 2.28 -8.298409865e-02 4.790926826e-01 1.158718022e-01 2.30 -1.458295631e-01 4.088006179e-01 5.155007830e-02 2.32 -2.044362096e-01 3.420483072e-01 -8.944533341e-03 2.34 -2.590331390e-01 2.786964390e-01 -6.579274008e-02 2.36 -3.098379163e-01 2.186105808e-01 -1.191677044e-01 2.38 -3.570571219e-01 1.616610150e-01 -1.692353125e-01 2.40 -4.008868750e-01 1.077225813e-01 -2.161544325e-01 2.42 -4.415133358e-01 5.667452053e-02 -2.600771673e-01 2.44 -4.791131846e-01 8.400321602e-03 -3.011490989e-01 2.46 -5.138540773e-01 -3.721242835e-02 -3.395095251e-01 2.48 -5.458950832e-01 -8.027219315e-02 -3.752916902e-01 2.50 -5.753871008e-01 -1.208836342e-01 -4.086230083e-01 2.52 -6.024732555e-01 -1.591477552e-01 -4.396252801e-01 2.54 -6.272892797e-01 -1.951620456e-01 -4.684149048e-01 2.56 -6.499638746e-01 -2.290206206e-01 -4.951030834e-01 2.58 -6.706190566e-01 -2.608143571e-01 -5.197960186e-01 2.60 -6.893704875e-01 -2.906310252e-01 -5.425951080e-01 2.62 -7.063277894e-01 -3.185554122e-01 -5.635971314e-01 2.64 -7.215948458e-01 -3.446694373e-01 -5.828944329e-01 2.66 -7.352700889e-01 -3.690522564e-01 -6.005750983e-01 2.68 -7.474467726e-01 -3.917803531e-01 -6.167231260e-01 2.70 -7.582132347e-01 -4.129276160e-01 -6.314185929e-01 2.72 -7.676531461e-01 -4.325653999e-01 -6.447378152e-01 2.74 -7.758457477e-01 -4.507625721e-01 -6.567535020e-01 2.76 -7.828660781e-01 -4.675855425e-01 -6.675349038e-01 2.78 -7.887851891e-01 -4.830982804e-01 -6.771479532e-01 2.80 -7.936703512e-01 -4.973623184e-01 -6.856553970e-01 2.82 -7.975852507e-01 -5.104367491e-01 -6.931169203e-01 2.84 -8.005901753e-01 -5.223782146e-01 -6.995892571e-01 2.86 -8.027421926e-01 -5.332408971e-01 -7.051262891e-01 2.88 -8.040953190e-01 -5.430765118e-01 -7.097791260e-01 2.90 -8.047006797e-01 -5.519343071e-01 -7.135961647e-01 2.92 -8.046066627e-01 -5.598610783e-01 -7.166231229e-01 2.94 -8.038590627e-01 -5.669011951e-01 -7.189030381e-01 2.96 -8.025012192e-01 -5.730966473e-01 -7.204762255e-01 2.98 -8.005741469e-01 -5.784871116e-01 -7.213801831e-01 3.00 -7.981166595e-01 -5.831100368e-01 -7.216494320e-01 3.02 -7.951654864e-01 -5.870007508e-01 -7.213152740e-01 3.04 -7.917553837e-01 -5.901925860e-01 -7.204054496e-01 3.06 -7.879192389e-01 -5.927170203e-01 -7.189436703e-01 3.08 -7.836881695e-01 -5.946038326e-01 -7.169490006e-01 3.10 -7.790916166e-01 -5.958812672e-01 -7.144350567e-01 3.12 -7.741574325e-01 -5.965762039e-01 -7.114089907e-01 3.14 -7.689119638e-01 -5.967143292e-01 -7.078702284e-01 3.16 -7.633801295e-01 -5.963203046e-01 -7.038089365e-01 3.18 -7.575854942e-01 -5.954179268e-01 -6.992042167e-01 3.20 -7.515503375e-01 -5.940302780e-01 -6.940220653e-01 3.22 -7.452957185e-01 -5.921798608e-01 -6.882132073e-01 3.24 -7.388415374e-01 -5.898887166e-01 -6.817110449e-01 3.26 -7.322065928e-01 -5.871785253e-01 -6.744301432e-01 3.28 -7.254086355e-01 -5.840706840e-01 -6.662659518e-01 3.30 -7.184644195e-01 -5.805863656e-01 -6.570967843e-01 3.32 -7.113897503e-01 -5.767465559e-01 -6.467893956e-01 3.34 -7.041995295e-01 -5.725720709e-01 -6.352096088e-01 3.36 -6.969077976e-01 -5.680835558e-01 -6.222390668e-01 3.38 -6.895277748e-01 -5.633014653e-01 -6.077979504e-01 3.40 -6.820718987e-01 -5.582460312e-01 -5.918712720e-01 3.42 -6.745518609e-01 -5.529372150e-01 -5.745335231e-01 3.44 -6.669786416e-01 -5.473946528e-01 -5.559642799e-01 3.46 -6.593625422e-01 -5.416375913e-01 -5.364475732e-01 3.48 -6.517132174e-01 -5.356848209e-01 -5.163514625e-01 3.50 -6.440397047e-01 -5.295546060e-01 -4.960904410e-01 3.52 -6.363504540e-01 -5.232646171e-01 -4.760792209e-01 3.54 -6.286533555e-01 -5.168318663e-01 -4.566890418e-01 3.56 -6.209557663e-01 -5.102726482e-01 -4.382157990e-01 3.58 -6.132645365e-01 -5.036024883e-01 -4.208644271e-01 3.60 -6.055860346e-01 -4.968361006e-01 -4.047487760e-01 3.62 -5.979261719e-01 -4.899873551e-01 -3.899027837e-01 3.64 -5.902904256e-01 -4.830692566e-01 -3.762976724e-01 3.66 -5.826838623e-01 -4.760939340e-01 -3.638605938e-01 3.68 -5.751111595e-01 -4.690726416e-01 -3.524916543e-01 3.70 -5.675766276e-01 -4.620157707e-01 -3.420777680e-01 3.72 -5.600842300e-01 -4.549328717e-01 -3.325029329e-01 3.74 -5.526376035e-01 -4.478326850e-01 -3.236552108e-01 3.76 -5.452400771e-01 -4.407231799e-01 -3.154310090e-01 3.78 -5.378946910e-01 -4.336116001e-01 -3.077373292e-01 3.80 -5.306042137e-01 -4.265045143e-01 -3.004925883e-01 3.82 -5.233711591e-01 -4.194078701e-01 -2.936265034e-01 3.84 -5.161978030e-01 -4.123270496e-01 -2.870794094e-01 3.86 -5.090861980e-01 -4.052669264e-01 -2.808012739e-01 3.88 -5.020381885e-01 -3.982319203e-01 -2.747505841e-01 3.90 -4.950554240e-01 -3.912260512e-01 -2.688932199e-01 3.92 -4.881393727e-01 -3.842529888e-01 -2.632013817e-01 3.94 -4.812913334e-01 -3.773160994e-01 -2.576526069e-01 3.96 -4.745124473e-01 -3.704184873e-01 -2.522288947e-01 3.98 -4.678037088e-01 -3.635630317e-01 -2.469159401e-01 4.00 -4.611659753e-01 -3.567524185e-01 -2.417024744e-01 4.02 -4.545999774e-01 -3.499891667e-01 -2.365797035e-01 4.04 -4.481063273e-01 -3.432756507e-01 -2.315408351e-01 4.06 -4.416855272e-01 -3.366141171e-01 -2.265806824e-01 4.08 -4.353379771e-01 -3.300066983e-01 -2.216953359e-01 4.10 -4.290639822e-01 -3.234554215e-01 -2.168818919e-01 4.12 -4.228637592e-01 -3.169622156e-01 -2.121382313e-01 4.14 -4.167374434e-01 -3.105289154e-01 -2.074628384e-01 4.16 -4.106850938e-01 -3.041572629e-01 -2.028546552e-01 4.18 -4.047066989e-01 -2.978489091e-01 -1.983129642e-01 4.20 -3.988021823e-01 -2.916054127e-01 -1.938372953e-01 4.22 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