# Potential energy (eV/atom) vs. nearest neighbor 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 # composition = Ga # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-12-17 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan -6.594990753e+09 nan 0.78 nan nan nan nan nan nan nan nan -4.103972614e+09 nan 0.80 nan nan nan nan nan nan nan nan -2.484613832e+09 nan 0.82 nan nan nan nan nan -6.248154901e+08 nan nan -1.443535558e+09 nan 0.84 nan nan nan nan nan -3.763236094e+08 nan nan -8.084684107e+08 nan 0.86 nan nan nan nan nan -2.295530374e+08 nan nan -4.350212910e+08 nan 0.88 nan nan nan nan nan -1.403893263e+08 nan nan -2.239997001e+08 nan 0.90 nan nan nan nan nan -8.793844982e+07 nan nan -1.112183818e+08 nan 0.92 nan nan nan -8.195939774e+09 -8.252095803e+09 -5.636257849e+07 nan nan -5.285992220e+07 -8.112785651e+08 0.94 nan -6.171969743e+08 nan -5.859217177e+09 -5.938244511e+09 -3.564344790e+07 -5.442896686e+08 nan -2.306024120e+07 -4.583145488e+08 0.96 nan -3.607796507e+08 nan -4.157924709e+09 -4.231207351e+09 -2.200590458e+07 -2.808767991e+08 nan -8.726969007e+06 -2.502997008e+08 0.98 nan -1.919719283e+08 nan -2.915808520e+09 -2.967259495e+09 -1.289203450e+07 -1.360324163e+08 nan -2.577299445e+06 -1.326026570e+08 1.00 nan -9.029695952e+07 nan -2.010178046e+09 -2.037825669e+09 -6.982203426e+06 -6.077070271e+07 nan -4.574308425e+05 -6.631075758e+07 1.02 nan -3.515601189e+07 nan -1.350913820e+09 -1.360098808e+09 -3.579637977e+06 -2.423595211e+07 nan -1.413447647e+04 -3.021303228e+07 1.04 nan -9.975175646e+06 -3.885678589e+08 -8.744754461e+08 -8.736219736e+08 -1.685571865e+06 -7.796892108e+06 -5.292368825e+08 3.370114418e+02 -1.221020019e+07 1.06 -5.385558301e+08 -1.545109978e+06 -2.094222361e+08 -5.361939874e+08 -5.314907817e+08 -6.991493210e+05 -1.693374275e+06 -3.038405721e+08 3.158540615e+02 -3.992070210e+06 1.08 -3.141210310e+08 -6.770008540e+04 -1.041437025e+08 -3.091954017e+08 -3.049711464e+08 -2.248853671e+05 -1.465769494e+05 -1.597962314e+08 2.956258159e+02 -7.932155814e+05 1.10 -1.687779919e+08 2.888967275e+02 -4.584979947e+07 -1.651673131e+08 -1.627319790e+08 -3.927969911e+04 2.986876790e+02 -7.448914163e+07 2.755640591e+02 -3.599347766e+04 1.12 -8.063803963e+07 2.603725110e+02 -1.608673596e+07 -7.902527123e+07 -7.777938373e+07 -1.260975251e+02 2.701198653e+02 -2.932060191e+07 2.553496939e+02 2.684012286e+02 1.14 -3.284410673e+07 2.343580611e+02 -3.751435834e+06 -3.225529228e+07 -3.177073966e+07 1.465090952e+02 2.451347808e+02 -8.788943260e+06 2.348468404e+02 2.440248130e+02 1.16 -1.057254883e+07 2.105913226e+02 -2.924576722e+05 -1.037972581e+07 -1.026482272e+07 1.339622391e+02 2.223925084e+02 -1.531982273e+06 2.142774992e+02 2.221304555e+02 1.18 -2.124803358e+06 1.888801396e+02 3.160914636e+02 -2.141909558e+06 -2.117098400e+06 1.224352948e+02 2.016326539e+02 -4.183944543e+04 1.939676044e+02 2.022375819e+02 1.20 -1.116204376e+05 1.690694414e+02 2.870645883e+02 -1.178897535e+05 -1.140531213e+05 1.116971734e+02 1.826528635e+02 3.024465226e+02 1.741544100e+02 1.841554696e+02 1.22 3.078738227e+02 1.510522980e+02 2.605789125e+02 3.079508064e+02 3.080288439e+02 1.017227938e+02 1.652622548e+02 2.756960556e+02 1.551373237e+02 1.676918780e+02 1.24 2.811597755e+02 1.347096160e+02 2.361286892e+02 2.812090123e+02 2.812606373e+02 9.249328474e+01 1.492588244e+02 2.509409370e+02 1.371109597e+02 1.526458546e+02 1.26 2.565132625e+02 1.199208209e+02 2.136066480e+02 2.565361812e+02 2.565564921e+02 8.397373520e+01 1.345085397e+02 2.279785708e+02 1.201685596e+02 1.388056301e+02 1.28 2.335642839e+02 1.065860939e+02 1.929062255e+02 2.335705621e+02 2.335707075e+02 7.611933400e+01 1.209438241e+02 2.066645391e+02 1.044108203e+02 1.259648010e+02 1.30 2.121989567e+02 9.460950795e+01 1.739270932e+02 2.121922079e+02 2.121815595e+02 6.888534281e+01 1.085405083e+02 1.869074276e+02 8.994992178e+01 1.140047770e+02 1.32 1.923528237e+02 8.387212553e+01 1.565646036e+02 1.923364488e+02 1.923206961e+02 6.222413146e+01 9.728174470e+01 1.686383322e+02 7.690716556e+01 1.028987233e+02 1.34 1.739586210e+02 7.427602062e+01 1.407094954e+02 1.739403889e+02 1.739230572e+02 5.608516061e+01 8.710550229e+01 1.517759853e+02 6.536776504e+01 9.262973990e+01 1.36 1.569530234e+02 6.573504734e+01 1.262518749e+02 1.569406621e+02 1.569235151e+02 5.042135241e+01 7.792290685e+01 1.362500222e+02 5.534420265e+01 8.317390946e+01 1.38 1.412844835e+02 5.815495127e+01 1.130983882e+02 1.412767276e+02 1.412596930e+02 4.520479554e+01 6.964668498e+01 1.220254299e+02 4.680443223e+01 7.449916318e+01 1.40 1.269010592e+02 5.143741045e+01 1.011583205e+02 1.268908813e+02 1.268741850e+02 4.041172780e+01 6.218471399e+01 1.090547989e+02 3.966992425e+01 6.656836017e+01 1.42 1.137397058e+02 4.547739975e+01 9.034684634e+01 1.137228487e+02 1.137083430e+02 3.601933901e+01 5.544693696e+01 9.726295327e+01 3.384645886e+01 5.934527620e+01 1.44 1.017313332e+02 4.017447996e+01 8.058502062e+01 1.017107084e+02 1.017012091e+02 3.200427584e+01 4.935213298e+01 8.658153941e+01 2.920978205e+01 5.279259910e+01 1.46 9.080551928e+01 3.544370242e+01 7.180060478e+01 9.078912256e+01 9.078684189e+01 2.834740425e+01 4.382671883e+01 7.694803342e+01 2.560069105e+01 4.686544438e+01 1.48 8.089899726e+01 3.120668284e+01 6.392076719e+01 8.089325677e+01 8.089851194e+01 2.503219101e+01 3.882076349e+01 6.828337290e+01 2.283211336e+01 4.152524943e+01 1.50 7.194738283e+01 2.741520474e+01 5.686414522e+01 7.195503226e+01 7.196690458e+01 2.204011411e+01 3.429961954e+01 6.050427887e+01 2.071390879e+01 3.673340459e+01 1.52 6.388778177e+01 2.404139157e+01 5.054597658e+01 6.390845924e+01 6.392524569e+01 1.935062837e+01 3.022531758e+01 5.354343633e+01 1.906934902e+01 3.244829471e+01 1.54 5.666155584e+01 2.105828485e+01 4.488674662e+01 5.669185822e+01 5.671103268e+01 1.694364372e+01 2.656656263e+01 4.734969042e+01 1.774728438e+01 2.862295460e+01 1.56 5.021027981e+01 1.843368838e+01 3.981231910e+01 5.024404097e+01 5.026314913e+01 1.479958141e+01 2.330107639e+01 4.186902994e+01 1.662450850e+01 2.520913286e+01 1.58 4.447593699e+01 1.612821985e+01 3.525766707e+01 4.450559198e+01 4.452287054e+01 1.289703323e+01 2.040510611e+01 3.703792763e+01 1.559866405e+01 2.216486461e+01 1.60 3.939983129e+01 1.410065439e+01 3.118459006e+01 3.942186401e+01 3.943691529e+01 1.121485886e+01 1.785468738e+01 3.279468150e+01 1.458427101e+01 1.945967261e+01 1.62 3.492252503e+01 1.231114030e+01 2.756137682e+01 3.493769336e+01 3.495117485e+01 9.734443749e+00 1.562414386e+01 2.907790849e+01 1.350610298e+01 1.706490296e+01 1.64 3.098845451e+01 1.073508118e+01 2.435781016e+01 3.099829025e+01 3.101095260e+01 8.439236481e+00 1.368052009e+01 2.583463418e+01 1.231743526e+01 1.495461707e+01 1.66 2.754493455e+01 9.354749133e+00 2.154060173e+01 2.755149112e+01 2.756325661e+01 7.312664001e+00 1.198476561e+01 2.301244897e+01 1.102764880e+01 1.310250169e+01 1.68 2.454280434e+01 8.146849463e+00 1.907225044e+01 2.454535232e+01 2.455463996e+01 6.336422157e+00 1.050033327e+01 2.055653400e+01 9.674764681e+00 1.148459396e+01 1.70 2.193246945e+01 7.085864232e+00 1.691238372e+01 2.192858518e+01 2.193334915e+01 5.490172190e+00 9.194624224e+00 1.840980971e+01 8.300805395e+00 1.007583187e+01 1.72 1.965974092e+01 6.145719912e+00 1.502154544e+01 1.964906411e+01 1.964813060e+01 4.753922813e+00 8.040676087e+00 1.651629531e+01 6.956636970e+00 8.848091970e+00 1.74 1.767016538e+01 5.304761513e+00 1.336289153e+01 1.765528389e+01 1.764852200e+01 4.109557726e+00 7.019795156e+00 1.481989066e+01 5.690694731e+00 7.772981728e+00 1.76 1.591173514e+01 4.546074567e+00 1.190062764e+01 1.589553095e+01 1.588372333e+01 3.540177575e+00 6.114066655e+00 1.326899532e+01 4.539683169e+00 6.823816597e+00 1.78 1.433374961e+01 3.854490382e+00 1.059928057e+01 1.431846308e+01 1.430323411e+01 3.030570026e+00 5.304882664e+00 1.183733551e+01 3.525492903e+00 5.975836270e+00 1.80 1.288424454e+01 3.213873334e+00 9.420583140e+00 1.287167068e+01 1.285514888e+01 2.563662558e+00 4.570925048e+00 1.050963024e+01 2.657080873e+00 5.202811392e+00 1.82 1.152119513e+01 2.617470335e+00 8.331648867e+00 1.151267934e+01 1.149716656e+01 2.124891490e+00 3.892265839e+00 9.273662272e+00 1.922969841e+00 4.482770917e+00 1.84 1.023784365e+01 2.065859893e+00 7.321923569e+00 1.023397198e+01 1.022118211e+01 1.710898617e+00 3.261709450e+00 8.126779150e+00 1.307226439e+00 3.811238170e+00 1.86 9.035165499e+00 1.558720726e+00 6.385866839e+00 9.035397774e+00 9.026126768e+00 1.321282343e+00 2.677247844e+00 7.065922548e+00 7.936124169e-01 3.186948290e+00 1.88 7.915390866e+00 1.094128152e+00 5.519143568e+00 7.917520787e+00 7.911510113e+00 9.566917038e-01 2.137480017e+00 6.088109496e+00 3.661123755e-01 2.609980272e+00 1.90 6.879079620e+00 6.684524947e-01 4.716658907e+00 6.880827093e+00 6.877460404e+00 6.170063631e-01 1.638446006e+00 5.190376503e+00 1.215689891e-02 2.079030096e+00 1.92 5.924210342e+00 2.790969734e-01 3.973171305e+00 5.923961250e+00 5.922822192e+00 3.017295032e-01 1.175452459e+00 4.369611727e+00 -2.792825922e-01 1.592405671e+00 1.94 5.046928092e+00 -7.480411884e-02 3.287321606e+00 5.044544103e+00 5.045657561e+00 1.084984361e-02 7.474092383e-01 3.622566538e+00 -5.174742835e-01 1.148155038e+00 1.96 4.243553499e+00 -3.936541951e-01 2.659237628e+00 4.240798908e+00 4.244611925e+00 -2.551517005e-01 3.580635171e-01 2.945435888e+00 -7.125548203e-01 7.444655027e-01 1.98 3.511340963e+00 -6.783515733e-01 2.088511501e+00 3.510554914e+00 3.517227319e+00 -4.954549779e-01 1.085723738e-02 2.334619108e+00 -8.755087267e-01 3.802317672e-01 2.00 2.849893650e+00 -9.304234957e-01 1.574446919e+00 2.852753212e+00 2.861993107e+00 -7.093966839e-01 -2.939214220e-01 1.789776966e+00 -1.016866110e+00 5.504121220e-02 2.02 2.259375198e+00 -1.152028872e+00 1.114492061e+00 2.266068850e+00 2.277067699e+00 -8.977866950e-01 -5.589419952e-01 1.311028142e+00 -1.145147102e+00 -2.312173666e-01 2.04 1.735840864e+00 -1.346758712e+00 7.033929871e-01 1.745578897e+00 1.757215886e+00 -1.063256292e+00 -7.898613272e-01 8.933844836e-01 -1.264016194e+00 -4.807729062e-01 2.06 1.274011766e+00 -1.517690181e+00 3.358475767e-01 1.285672399e+00 1.296973745e+00 -1.208919180e+00 -9.914776503e-01 5.296032498e-01 -1.374727309e+00 -6.969946376e-01 2.08 8.685014241e-01 -1.667152709e+00 7.070623565e-03 8.808208815e-01 8.910888191e-01 -1.337500633e+00 -1.167522745e+00 2.119459744e-01 -1.477082625e+00 -8.842259057e-01 2.10 5.138209961e-01 -1.797254595e+00 -2.864638110e-01 5.260349312e-01 5.349789537e-01 -1.450933084e+00 -1.321590147e+00 -6.693078633e-02 -1.571317348e+00 -1.047046044e+00 2.12 2.044066881e-01 -1.910349689e+00 -5.478923105e-01 2.157568436e-01 2.233305953e-01 -1.550940544e+00 -1.456549569e+00 -3.144171174e-01 -1.658273220e+00 -1.190067570e+00 2.14 -6.608877150e-02 -2.008269833e+00 -7.799018863e-01 -5.670358418e-02 -5.059063999e-02 -1.638802476e+00 -1.574875737e+00 -5.377998213e-01 -1.738872780e+00 -1.317490423e+00 2.16 -3.053036964e-01 -2.092728698e+00 -9.852323842e-01 -2.985708859e-01 -2.939133480e-01 -1.715847118e+00 -1.679015589e+00 -7.428160350e-01 -1.813912495e+00 -1.432530181e+00 2.18 -5.205391777e-01 -2.165636612e+00 -1.167015976e+00 -5.164909924e-01 -5.132002791e-01 -1.783782817e+00 -1.771252111e+00 -9.326726978e-01 -1.883936295e+00 -1.537812234e+00 2.20 -7.188249423e-01 -2.228916756e+00 -1.329287241e+00 -7.172799847e-01 -7.153444520e-01 -1.844517399e+00 -1.854053773e+00 -1.109610167e+00 -1.948878990e+00 -1.635715079e+00 2.22 -9.051726659e-01 -2.284296100e+00 -1.475829512e+00 -9.059716156e-01 -9.054432292e-01 -1.899642157e+00 -1.929554297e+00 -1.274963969e+00 -2.008783160e+00 -1.727866143e+00 2.24 -1.080003099e+00 -2.332944519e+00 -1.608099397e+00 -1.082797164e+00 -1.083876763e+00 -1.949590833e+00 -1.998620379e+00 -1.428682303e+00 -2.063357716e+00 -1.813804806e+00 2.26 -1.243426695e+00 -2.375294300e+00 -1.727803547e+00 -1.247824840e+00 -1.250793958e+00 -1.994941528e+00 -2.061925821e+00 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