# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Oliveira-D-S-Kuritza-D-P-Zavarize-M-et-al--Ga-P # implementation = 2025--Oliveira-D-S--Ga-P--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 2025-12-17 r Ga Ga Ga P P P 0.02 -6.376321105e+10 -1.248027168e+11 -1.717373637e+02 0.04 -5.727531277e+10 -1.121040571e+11 -1.165627465e+02 0.06 -5.137994888e+10 -1.005651554e+11 -3.780798910e+01 0.08 -4.602932324e+10 -9.009246120e+10 5.909727361e+01 0.10 -4.117892642e+10 -8.059885688e+10 1.693537441e+02 0.12 -3.678746745e+10 -7.200352427e+10 2.887443736e+02 0.14 -3.281651291e+10 -6.423123829e+10 4.135883884e+02 0.16 -2.923049461e+10 -5.721238184e+10 5.406978406e+02 0.18 -2.599639884e+10 -5.088233774e+10 6.673368650e+02 0.20 -2.308368927e+10 -4.518133772e+10 7.911827585e+02 0.22 -2.046413462e+10 -4.005412511e+10 9.102898042e+02 0.24 -1.811162034e+10 -3.544958639e+10 1.023054439e+03 0.26 -1.600208425e+10 -3.132062497e+10 1.128183715e+03 0.28 -1.411332234e+10 -2.762378133e+10 1.224664157e+03 0.30 -1.242488492e+10 -2.431902961e+10 1.311732595e+03 0.32 -1.091797780e+10 -2.136958425e+10 1.388851926e+03 0.34 -9.575338427e+09 -1.874165752e+10 1.455684954e+03 0.36 -8.381112737e+09 -1.640421853e+10 1.512069481e+03 0.38 -7.320778252e+09 -1.432884266e+10 1.557998575e+03 0.40 -6.381055455e+09 -1.248953811e+10 1.593600360e+03 0.42 -5.549792032e+09 -1.086251937e+10 1.619118016e+03 0.44 -4.815906482e+09 -9.426096791e+09 1.634894279e+03 0.46 -4.169295531e+09 -8.160495393e+09 1.641352316e+03 0.48 -3.600774068e+09 -7.047737306e+09 1.638988427e+03 0.50 -3.101986522e+09 -6.071468307e+09 1.628347504e+03 0.52 -2.665357776e+09 -5.216861740e+09 1.610020517e+03 0.54 -2.284022751e+09 -4.470480698e+09 1.584628004e+03 0.56 -1.951780790e+09 -3.820188732e+09 1.552812187e+03 0.58 -1.663030151e+09 -3.255021644e+09 1.515226172e+03 0.60 -1.412725322e+09 -2.765103934e+09 1.472527859e+03 0.62 -1.196330850e+09 -2.341558433e+09 1.425371408e+03 0.64 -1.009773238e+09 -1.976412149e+09 1.374399215e+03 0.66 -8.494064855e+08 -1.662528825e+09 1.320240840e+03 0.68 -7.119707494e+08 -1.393528022e+09 1.263502795e+03 0.70 -5.945585908e+08 -1.163719056e+09 1.204768248e+03 0.72 -4.945824736e+08 -9.680373830e+08 1.144590648e+03 0.74 -4.097468739e+08 -8.019900113e+08 1.083494389e+03 0.76 -3.380177796e+08 -6.615958013e+08 1.021967985e+03 0.78 -2.775990162e+08 -5.433391283e+08 9.604662499e+02 0.80 -2.269085323e+08 -4.441234683e+08 8.994067727e+02 0.82 -1.845566837e+08 -3.612288923e+08 8.391690455e+02 0.84 -1.493264623e+08 -2.922733690e+08 7.800960066e+02 0.86 -1.201553250e+08 -2.351771996e+08 7.224923480e+02 0.88 -9.611862986e+07 -1.881305960e+08 6.666245093e+02 0.90 -7.641437397e+07 -1.495638105e+08 6.127227448e+02 0.92 -6.034959083e+07 -1.181205101e+08 5.609808635e+02 0.94 -4.732781941e+07 -9.263325042e+07 5.115586436e+02 0.96 -3.683754700e+07 -7.210085518e+07 4.645817158e+02 0.98 -2.844207435e+07 -5.566857929e+07 4.201445354e+02 1.00 -2.177026709e+07 -4.261000678e+07 3.783111909e+02 1.02 -1.650816395e+07 -3.231062570e+07 3.391180603e+02 1.04 -1.239156377e+07 -2.425331880e+07 3.025752868e+02 1.06 -9.199302118e+06 -1.800520400e+07 2.686687699e+02 1.08 -6.747399201e+06 -1.320618013e+07 2.373637416e+02 1.10 -4.883655957e+06 -9.558350005e+06 2.086048565e+02 1.12 -3.483080482e+06 -6.817068640e+06 1.823197114e+02 1.14 -2.443752000e+06 -4.782847848e+06 1.584210353e+02 1.16 -1.683218963e+06 -3.294306301e+06 1.368084577e+02 1.18 -1.135355073e+06 -2.222015883e+06 1.173710383e+02 1.20 -7.476261000e+05 -1.463152069e+06 9.998926986e+01 1.22 -4.787319226e+05 -9.368787302e+05 8.453696017e+01 1.24 -2.965792039e+05 -5.803800762e+05 7.088344946e+01 1.26 -1.765519833e+05 -3.454757147e+05 5.889516151e+01 1.28 -1.000483056e+05 -1.957564115e+05 4.843778139e+01 1.30 -5.324391818e+04 -1.041642916e+05 3.937730569e+01 1.32 -2.606703536e+04 -5.098615629e+04 3.158193273e+01 1.34 -1.134863708e+04 -2.219037122e+04 2.492323275e+01 1.36 -4.128228314e+03 -8.068034539e+03 1.927739383e+01 1.38 -1.093048031e+03 -2.135343924e+03 1.452626362e+01 1.40 -1.312514663e+02 -2.590416753e+02 1.055818734e+01 1.42 1.860813078e+01 2.965468825e+01 7.268770853e+00 1.44 1.630652100e+01 2.188026072e+01 4.561412817e+00 1.46 1.427574252e+01 1.571626047e+01 2.347769700e+00 1.48 1.265184771e+01 1.120352677e+01 5.479113135e-01 1.50 1.126485756e+01 7.866220931e+00 -9.095146052e-01 1.52 1.007257539e+01 5.479245346e+00 -2.087354543e+00 1.54 9.032602835e+00 3.813259031e+00 -3.185347607e+00 1.56 8.108035000e+00 2.667310519e+00 -4.215644012e+00 1.58 7.271029897e+00 1.876400146e+00 -4.969069723e+00 1.60 6.502274035e+00 1.303537596e+00 -5.483567703e+00 1.62 5.789681926e+00 8.475040096e-01 -5.857779181e+00 1.64 5.126844321e+00 4.435509759e-01 -6.152673357e+00 1.66 4.511388205e+00 5.779714393e-02 -6.395273549e+00 1.68 3.943317191e+00 -3.212129587e-01 -6.595347928e+00 1.70 3.423515042e+00 -6.914569489e-01 -6.763502762e+00 1.72 2.952384923e+00 -1.043034179e+00 -6.911429566e+00 1.74 2.528722514e+00 -1.364199102e+00 -7.046239120e+00 1.76 2.148823249e+00 -1.646538437e+00 -7.169722700e+00 1.78 1.805854341e+00 -1.889005238e+00 -7.280628151e+00 1.80 1.489516350e+00 -2.100696300e+00 -7.376089153e+00 1.82 1.189908324e+00 -2.296944611e+00 -7.453562479e+00 1.84 9.069773526e-01 -2.483920012e+00 -7.514717936e+00 1.86 6.426144914e-01 -2.663845447e+00 -7.561153990e+00 1.88 3.983226787e-01 -2.837464367e+00 -7.593509600e+00 1.90 1.750024718e-01 -3.004352715e+00 -7.611804182e+00 1.92 -2.720571654e-02 -3.163194889e+00 -7.615780349e+00 1.94 -2.090007070e-01 -3.312021756e+00 -7.605216229e+00 1.96 -3.719021715e-01 -3.448403915e+00 -7.580203937e+00 1.98 -5.181077754e-01 -3.569590703e+00 -7.541476517e+00 2.00 -6.501985635e-01 -3.672593855e+00 -7.491367115e+00 2.02 -7.712515465e-01 -3.755840821e+00 -7.432857487e+00 2.04 -8.849261795e-01 -3.822237102e+00 -7.368297845e+00 2.06 -9.933201560e-01 -3.874763221e+00 -7.299381881e+00 2.08 -1.097027968e+00 -3.915624894e+00 -7.227292638e+00 2.10 -1.195614279e+00 -3.946390513e+00 -7.152788671e+00 2.12 -1.288052075e+00 -3.968130763e+00 -7.076276294e+00 2.14 -1.373106288e+00 -3.981551581e+00 -6.997876899e+00 2.16 -1.449666749e+00 -3.987121831e+00 -6.917468051e+00 2.18 -1.516987101e+00 -3.985177693e+00 -6.834730124e+00 2.20 -1.574836640e+00 -3.976006713e+00 -6.749176441e+00 2.22 -1.623618593e+00 -3.959969354e+00 -6.660414071e+00 2.24 -1.664249817e+00 -3.937655311e+00 -6.568633895e+00 2.26 -1.697629078e+00 -3.909716473e+00 -6.474110639e+00 2.28 -1.724569790e+00 -3.876820219e+00 -6.377089434e+00 2.30 -1.745810152e+00 -3.839647476e+00 -6.277796957e+00 2.32 -1.762025749e+00 -3.798890874e+00 -6.176496596e+00 2.34 -1.773837398e+00 -3.755250367e+00 -6.073482831e+00 2.36 -1.781820275e+00 -3.709424047e+00 -5.969041517e+00 2.38 -1.786510686e+00 -3.662101196e+00 -5.863455319e+00 2.40 -1.788410502e+00 -3.613958837e+00 -5.757009499e+00 2.42 -1.787963467e+00 -3.565595666e+00 -5.649971955e+00 2.44 -1.785515877e+00 -3.517419972e+00 -5.542555454e+00 2.46 -1.781395061e+00 -3.469790509e+00 -5.434977370e+00 2.48 -1.775920702e+00 -3.423041647e+00 -5.327478266e+00 2.50 -1.769405791e+00 -3.377483784e+00 -5.220321900e+00 2.52 -1.762155976e+00 -3.333401946e+00 -5.113803189e+00 2.54 -1.754468463e+00 -3.291055410e+00 -5.008244419e+00 2.56 -1.746632924e+00 -3.250679034e+00 -4.904002382e+00 2.58 -1.738930680e+00 -3.212483870e+00 -4.801465620e+00 2.60 -1.731635304e+00 -3.176661094e+00 -4.701058659e+00 2.62 -1.724916990e+00 -3.143276174e+00 -4.603377669e+00 2.64 -1.718680418e+00 -3.112101393e+00 -4.509376561e+00 2.66 -1.712781317e+00 -3.082871396e+00 -4.419988923e+00 2.68 -1.707026470e+00 -3.055231685e+00 -4.335986891e+00 2.70 -1.701215498e+00 -3.028650521e+00 -4.256484337e+00 2.72 -1.695166707e+00 -3.002476209e+00 -4.178924239e+00 2.74 -1.688708023e+00 -2.976146322e+00 -4.101092021e+00 2.76 -1.681667270e+00 -2.949205464e+00 -4.021395557e+00 2.78 -1.673864596e+00 -2.921300603e+00 -3.938999159e+00 2.80 -1.665105852e+00 -2.892176949e+00 -3.853905515e+00 2.82 -1.655243261e+00 -2.861708635e+00 -3.766675335e+00 2.84 -1.644292924e+00 -2.829943726e+00 -3.677688573e+00 2.86 -1.632306143e+00 -2.796981281e+00 -3.587464385e+00 2.88 -1.619344709e+00 -2.762945807e+00 -3.496661856e+00 2.90 -1.605484990e+00 -2.727984745e+00 -3.405997589e+00 2.92 -1.590821419e+00 -2.692268263e+00 -3.316169675e+00 2.94 -1.575469468e+00 -2.655989797e+00 -3.227816176e+00 2.96 -1.559568307e+00 -2.619368283e+00 -3.141475022e+00 2.98 -1.543283252e+00 -2.582650782e+00 -3.057563035e+00 3.00 -1.526805861e+00 -2.546112938e+00 -2.976360506e+00 3.02 -1.510293625e+00 -2.509974545e+00 -2.898012533e+00 3.04 -1.493758655e+00 -2.474242135e+00 -2.822548511e+00 3.06 -1.477180321e+00 -2.438854498e+00 -2.749857262e+00 3.08 -1.460526986e+00 -2.403714286e+00 -2.679691491e+00 3.10 -1.443755363e+00 -2.368687266e+00 -2.611674448e+00 3.12 -1.426810474e+00 -2.333601253e+00 -2.545308955e+00 3.14 -1.409625894e+00 -2.298247906e+00 -2.479987748e+00 3.16 -1.392121387e+00 -2.262380967e+00 -2.414994908e+00 3.18 -1.374205137e+00 -2.225716782e+00 -2.349514368e+00 3.20 -1.355771163e+00 -2.187933895e+00 -2.282631508e+00 3.22 -1.336753039e+00 -2.148813403e+00 -2.213680954e+00 3.24 -1.317211681e+00 -2.108481262e+00 -2.142828428e+00 3.26 -1.297238079e+00 -2.067138066e+00 -2.070399562e+00 3.28 -1.276933142e+00 -2.025008585e+00 -1.996754768e+00 3.30 -1.256409250e+00 -1.982341774e+00 -1.922289430e+00 3.32 -1.235789482e+00 -1.939412190e+00 -1.847434262e+00 3.34 -1.215207643e+00 -1.896518846e+00 -1.772655417e+00 3.36 -1.194808075e+00 -1.853984891e+00 -1.698453737e+00 3.38 -1.174744710e+00 -1.812156083e+00 -1.625362936e+00 3.40 -1.155180717e+00 -1.771399260e+00 -1.553947959e+00 3.42 -1.136241341e+00 -1.732006330e+00 -1.484710540e+00 3.44 -1.117942457e+00 -1.694045635e+00 -1.417948494e+00 3.46 -1.100276688e+00 -1.657538550e+00 -1.353926817e+00 3.48 -1.083229423e+00 -1.622493411e+00 -1.292908445e+00 3.50 -1.066779035e+00 -1.588904931e+00 -1.235152685e+00 3.52 -1.050898197e+00 -1.556756430e+00 -1.180916185e+00 3.54 -1.035552893e+00 -1.526018055e+00 -1.130448283e+00 3.56 -1.020703633e+00 -1.496648619e+00 -1.083991953e+00 3.58 -1.006305834e+00 -1.468596052e+00 -1.041781671e+00 3.60 -9.923101638e-01 -1.441797653e+00 -1.004042187e+00 3.62 -9.786814409e-01 -1.416198584e+00 -9.708591569e-01 3.64 -9.654253321e-01 -1.391778885e+00 -9.419971777e-01 3.66 -9.525526422e-01 -1.368519453e+00 -9.171543873e-01 3.68 -9.400733516e-01 -1.346396752e+00 -8.960086555e-01 3.70 -9.279963083e-01 -1.325382979e+00 -8.782205390e-01 3.72 -9.163294094e-01 -1.305446720e+00 -8.634362454e-01 3.74 -9.050796093e-01 -1.286553285e+00 -8.512899416e-01 3.76 -8.942529714e-01 -1.268665196e+00 -8.414062766e-01 3.78 -8.838546655e-01 -1.251742394e+00 -8.334021249e-01 3.80 -8.738889335e-01 -1.235742415e+00 -8.268885303e-01 3.82 -8.643320277e-01 -1.220576742e+00 -8.214867629e-01 3.84 -8.550955468e-01 -1.206051286e+00 -8.168488559e-01 3.86 -8.460797118e-01 -1.191952156e+00 -8.126284604e-01 3.88 -8.371819944e-01 -1.178059673e+00 -8.084767307e-01 3.90 -8.282972813e-01 -1.164148673e+00 -8.040424375e-01 3.92 -8.193183006e-01 -1.149989302e+00 -7.989724850e-01 3.94 -8.101349779e-01 -1.135345919e+00 -7.929113158e-01 3.96 -8.006347008e-01 -1.119977481e+00 -7.855007538e-01 3.98 -7.907019542e-01 -1.103636775e+00 -7.763794150e-01 4.00 -7.802185619e-01 -1.086070787e+00 -7.651829847e-01 4.02 -7.691350379e-01 -1.067170941e+00 -7.517572057e-01 4.04 -7.575637118e-01 -1.047168817e+00 -7.364271628e-01 4.06 -7.456416927e-01 -1.026348189e+00 -7.195845900e-01 4.08 -7.335106106e-01 -1.005002010e+00 -7.016250763e-01 4.10 -7.213165545e-01 -9.834324210e-01 -6.829489511e-01 4.12 -7.092103192e-01 -9.619513123e-01 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