# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-In-N--LAMMPS--ipr1 # composition = GaIn3 # 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 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 4.680362702e+02 nan nan 0.80 4.433402884e+02 nan nan 0.82 4.198924518e+02 nan nan 0.84 3.976313863e+02 3.401936440e+02 nan 0.86 3.764986688e+02 3.238093106e+02 4.421764158e+02 0.88 3.564386875e+02 3.081690051e+02 4.217126371e+02 0.90 3.373985095e+02 2.932401956e+02 4.021489288e+02 0.92 3.193277545e+02 2.789917310e+02 3.834469847e+02 0.94 3.021784741e+02 2.653937838e+02 3.655700882e+02 0.96 2.859050368e+02 2.524177948e+02 3.484830475e+02 0.98 2.704640181e+02 2.400364213e+02 3.321521334e+02 1.00 2.558140962e+02 2.282234860e+02 3.165450198e+02 1.02 2.419159523e+02 2.169539287e+02 3.016307265e+02 1.04 2.287321754e+02 2.062037602e+02 2.873795645e+02 1.06 2.162271717e+02 1.959500172e+02 2.737630828e+02 1.08 2.043670781e+02 1.861707201e+02 2.607540184e+02 1.10 1.931196800e+02 1.768448316e+02 2.483262475e+02 1.12 1.824543326e+02 1.679522175e+02 2.364547391e+02 1.14 1.723418862e+02 1.594736089e+02 2.251155098e+02 1.16 1.627546148e+02 1.513905662e+02 2.142855815e+02 1.18 1.536661479e+02 1.436854441e+02 2.039429400e+02 1.20 1.450514057e+02 1.363413585e+02 1.940664952e+02 1.22 1.368865377e+02 1.293421546e+02 1.846360437e+02 1.24 1.291488633e+02 1.226723763e+02 1.756322320e+02 1.26 1.218168159e+02 1.163172363e+02 1.670365216e+02 1.28 1.148698896e+02 1.102625889e+02 1.588311557e+02 1.30 1.082885876e+02 1.044949022e+02 1.509991270e+02 1.32 1.020543745e+02 9.900123231e+01 1.435241466e+02 1.34 9.614962931e+01 9.376919901e+01 1.363906147e+02 1.36 9.055760174e+01 8.878696141e+01 1.295835918e+02 1.38 8.526237000e+01 8.404319535e+01 1.230887718e+02 1.40 8.024880085e+01 7.952707152e+01 1.168924557e+02 1.42 7.550251146e+01 7.522823441e+01 1.109815263e+02 1.44 7.100983305e+01 7.113678224e+01 1.053434247e+02 1.46 6.675777631e+01 6.724324768e+01 9.996612630e+01 1.48 6.273399843e+01 6.353857932e+01 9.483811941e+01 1.50 5.892677169e+01 6.001412403e+01 8.994838359e+01 1.52 5.532495355e+01 5.666160991e+01 8.528636934e+01 1.54 5.191795818e+01 5.347313005e+01 8.084197851e+01 1.56 4.869572931e+01 5.044112689e+01 7.660554550e+01 1.58 4.564871440e+01 4.755837734e+01 7.256781931e+01 1.60 4.276784007e+01 4.481797836e+01 6.871994615e+01 1.62 4.004448861e+01 4.221333332e+01 6.505345295e+01 1.64 3.747047572e+01 3.973813877e+01 6.156023142e+01 1.66 3.503802925e+01 3.738637188e+01 5.823252280e+01 1.68 3.273976899e+01 3.515227833e+01 5.506290323e+01 1.70 3.056868739e+01 3.303036073e+01 5.204426970e+01 1.72 2.851813125e+01 3.101536758e+01 4.916982663e+01 1.74 2.658178428e+01 2.910228259e+01 4.643307293e+01 1.76 2.475365046e+01 2.728631452e+01 4.382778963e+01 1.78 2.302803826e+01 2.556288742e+01 4.134802800e+01 1.80 2.139954558e+01 2.392763134e+01 3.898809819e+01 1.82 1.986304541e+01 2.237637330e+01 3.674255828e+01 1.84 1.841367223e+01 2.090512879e+01 3.460620385e+01 1.86 1.704680903e+01 1.951009353e+01 3.257405789e+01 1.88 1.575807496e+01 1.818763562e+01 3.064136124e+01 1.90 1.454331357e+01 1.693428798e+01 2.880356332e+01 1.92 1.339858166e+01 1.574674122e+01 2.705631326e+01 1.94 1.232013866e+01 1.462183664e+01 2.539545149e+01 1.96 1.130443646e+01 1.355655967e+01 2.381700156e+01 1.98 1.034810983e+01 1.254803357e+01 2.231716233e+01 2.00 9.447967269e+00 1.159351330e+01 2.089230054e+01 2.02 8.600982259e+00 1.069037975e+01 1.953894362e+01 2.04 7.804285019e+00 9.836134216e+00 1.825377284e+01 2.06 7.055154612e+00 9.028393037e+00 1.703361670e+01 2.08 6.351011454e+00 8.264882527e+00 1.587544467e+01 2.10 5.689410188e+00 7.543434099e+00 1.477636110e+01 2.12 5.068032916e+00 6.861979605e+00 1.373359944e+01 2.14 4.484682745e+00 6.218546866e+00 1.274451671e+01 2.16 3.937277673e+00 5.611255409e+00 1.180658814e+01 2.18 3.423844758e+00 5.038312372e+00 1.091740211e+01 2.20 2.942514585e+00 4.498008599e+00 1.007465524e+01 2.22 2.491516000e+00 3.988714891e+00 9.276147724e+00 2.24 2.069171111e+00 3.508878430e+00 8.519778839e+00 2.26 1.673890526e+00 3.057019349e+00 7.803542647e+00 2.28 1.304168842e+00 2.631727455e+00 7.125523884e+00 2.30 9.585803409e-01 2.231659095e+00 6.483894015e+00 2.32 6.357749135e-01 1.855534155e+00 5.876907456e+00 2.34 3.344741776e-01 1.502133188e+00 5.302897960e+00 2.36 5.346779298e-02 1.170294673e+00 4.760275149e+00 2.38 -2.083900403e-01 8.589123890e-01 4.247521194e+00 2.40 -4.521839095e-01 5.669329045e-01 3.763187642e+00 2.42 -6.789403490e-01 2.933531766e-01 3.305892368e+00 2.44 -8.896308437e-01 3.721825553e-02 2.874316660e+00 2.46 -1.085174680e+00 -2.023809098e-01 2.467202431e+00 2.48 -1.266441654e+00 -4.263095714e-01 2.083349546e+00 2.50 -1.434254647e+00 -6.353911874e-01 1.721613262e+00 2.52 -1.589392062e+00 -8.304093413e-01 1.380901776e+00 2.54 -1.732590151e+00 -1.012109575e+00 1.060173888e+00 2.56 -1.864545213e+00 -1.181201141e+00 7.584367484e-01 2.58 -1.985915685e+00 -1.338358678e+00 4.747437113e-01 2.60 -2.097324131e+00 -1.484223812e+00 2.081922798e-01 2.62 -2.199359122e+00 -1.619406688e+00 -4.207786471e-02 2.64 -2.292577029e+00 -1.744487426e+00 -2.768867457e-01 2.66 -2.377503720e+00 -1.860017527e+00 -4.970158947e-01 2.68 -2.454636169e+00 -1.966521200e+00 -7.032100765e-01 2.70 -2.524443989e+00 -2.064496641e+00 -8.961789399e-01 2.72 -2.587370882e+00 -2.154417250e+00 -1.076598597e+00 2.74 -2.643836017e+00 -2.236732799e+00 -1.245113136e+00 2.76 -2.694235333e+00 -2.311870534e+00 -1.402336065e+00 2.78 -2.738942785e+00 -2.380236247e+00 -1.548851694e+00 2.80 -2.778311515e+00 -2.442215285e+00 -1.685216461e+00 2.82 -2.812674967e+00 -2.498173518e+00 -1.811960198e+00 2.84 -2.842347952e+00 -2.548458265e+00 -1.929587334e+00 2.86 -2.867627641e+00 -2.593399175e+00 -2.038578061e+00 2.88 -2.888794527e+00 -2.633309074e+00 -2.139389436e+00 2.90 -2.906113320e+00 -2.668484764e+00 -2.232456440e+00 2.92 -2.919833808e+00 -2.699207797e+00 -2.318192990e+00 2.94 -2.930191666e+00 -2.725745202e+00 -2.396992908e+00 2.96 -2.937409223e+00 -2.748350190e+00 -2.469230841e+00 2.98 -2.941696197e+00 -2.767262821e+00 -2.535263152e+00 3.00 -2.943250381e+00 -2.782710636e+00 -2.595428759e+00 3.02 -2.942258301e+00 -2.794909274e+00 -2.650049946e+00 3.04 -2.938895838e+00 -2.804063044e+00 -2.699433132e+00 3.06 -2.933328814e+00 -2.810365484e+00 -2.743869614e+00 3.08 -2.925713551e+00 -2.813999887e+00 -2.783636266e+00 3.10 -2.916197400e+00 -2.815139804e+00 -2.818996213e+00 3.12 -2.904919240e+00 -2.813949526e+00 -2.850199479e+00 3.14 -2.892009958e+00 -2.810584543e+00 -2.877483597e+00 3.16 -2.877592891e+00 -2.805191977e+00 -2.901074198e+00 3.18 -2.861784256e+00 -2.797911002e+00 -2.921185572e+00 3.20 -2.843879160e+00 -2.788873243e+00 -2.938021203e+00 3.22 -2.803900300e+00 -2.778203151e+00 -2.951774279e+00 3.24 -2.670852203e+00 -2.766018366e+00 -2.962628184e+00 3.26 -2.414465592e+00 -2.752430059e+00 -2.970756961e+00 3.28 -2.365587793e+00 -2.737543266e+00 -2.976325759e+00 3.30 -2.348088932e+00 -2.721457195e+00 -2.979491255e+00 3.32 -2.330176564e+00 -2.704265524e+00 -2.980402065e+00 3.34 -2.311898564e+00 -2.686056692e+00 -2.979199128e+00 3.36 -2.293299328e+00 -2.666914161e+00 -2.976016073e+00 3.38 -2.274419867e+00 -2.646916578e+00 -2.970979577e+00 3.40 -2.255297896e+00 -2.625467428e+00 -2.964209697e+00 3.42 -2.235967910e+00 -2.596013430e+00 -2.955820193e+00 3.44 -2.216461257e+00 -2.544126297e+00 -2.945918836e+00 3.46 -2.196806205e+00 -2.474273463e+00 -2.934607696e+00 3.48 -2.177028007e+00 -2.447013175e+00 -2.921983423e+00 3.50 -2.156578585e+00 -2.422491857e+00 -2.908137513e+00 3.52 -2.106565684e+00 -2.397677711e+00 -2.893156559e+00 3.54 -1.902588969e+00 -2.372612697e+00 -2.877122497e+00 3.56 -1.361779786e+00 -2.347336299e+00 -2.860112831e+00 3.58 -8.192750548e-01 -2.321885661e+00 -2.842200857e+00 3.60 -8.056837768e-01 -2.296295720e+00 -2.823455871e+00 3.62 -7.921707907e-01 -2.270599326e+00 -2.803943364e+00 3.64 -7.787451909e-01 -2.244827365e+00 -2.783725222e+00 3.66 -7.654153660e-01 -2.219008872e+00 -2.762859895e+00 3.68 -7.521890367e-01 -2.193171134e+00 -2.741402579e+00 3.70 -7.390732921e-01 -2.167339799e+00 -2.719405376e+00 3.72 -7.260746239e-01 -2.141538967e+00 -2.696917452e+00 3.74 -7.131989599e-01 -2.115791288e+00 -2.673985185e+00 3.76 -7.004516947e-01 -2.090118045e+00 -2.650652308e+00 3.78 -6.878377201e-01 -2.064539244e+00 -2.626960042e+00 3.80 -6.753614529e-01 -2.039073685e+00 -2.602947228e+00 3.82 -6.630268623e-01 -2.013739047e+00 -2.578650448e+00 3.84 -6.508374955e-01 -1.988551950e+00 -2.554104140e+00 3.86 -6.387965022e-01 -1.963528031e+00 -2.529340713e+00 3.88 -6.269066577e-01 -1.938682002e+00 -2.504390646e+00 3.90 -6.151703853e-01 -1.914027712e+00 -2.479282596e+00 3.92 -6.023579305e-01 -1.885553493e+00 -2.449224429e+00 3.94 -5.726692764e-01 -1.801269545e+00 -2.351237502e+00 3.96 -4.832600905e-01 -1.520243850e+00 -2.008328442e+00 3.98 -2.716752595e-01 -8.459940287e-01 -1.146676987e+00 4.00 -1.820582028e-22 -4.131747854e-22 -4.801041345e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 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0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 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