# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ni3Pd # 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 5.464884707e+02 nan nan 0.88 4.958641302e+02 nan nan 0.90 4.503151958e+02 nan nan 0.92 4.092579439e+02 nan nan 0.94 3.721867471e+02 nan nan 0.96 3.386700000e+02 4.951281490e+02 5.591710821e+02 0.98 3.083244107e+02 4.534272678e+02 5.130909193e+02 1.00 2.808104507e+02 4.155019120e+02 4.711250204e+02 1.02 2.558457062e+02 3.809562604e+02 4.328381062e+02 1.04 2.331718593e+02 3.494487783e+02 3.978549881e+02 1.06 2.125543536e+02 3.206819137e+02 3.658528964e+02 1.08 1.937960403e+02 2.943859532e+02 3.365409559e+02 1.10 1.767169398e+02 2.703178800e+02 3.096706078e+02 1.12 1.611597843e+02 2.482721643e+02 2.850071676e+02 1.14 1.469823767e+02 2.280616039e+02 2.623590407e+02 1.16 1.340521581e+02 2.095262051e+02 2.415464684e+02 1.18 1.222516963e+02 1.925096759e+02 2.224051091e+02 1.20 1.114807372e+02 1.768835770e+02 2.047963427e+02 1.22 1.016431041e+02 1.625248950e+02 1.885874754e+02 1.24 9.265040626e+01 1.493281140e+02 1.736608035e+02 1.26 8.443396069e+01 1.371929521e+02 1.599059035e+02 1.28 7.692393060e+01 1.260266543e+02 1.472321864e+02 1.30 7.005652517e+01 1.157495539e+02 1.355494322e+02 1.32 6.377280726e+01 1.062895528e+02 1.247780166e+02 1.34 5.802360803e+01 9.757815583e+01 1.148406989e+02 1.36 5.276414765e+01 8.955743051e+01 1.056701882e+02 1.38 4.795198386e+01 8.217119845e+01 9.720929694e+01 1.40 4.354899257e+01 7.536490328e+01 8.939916307e+01 1.42 3.952031942e+01 6.908951415e+01 8.219138624e+01 1.44 3.583321139e+01 6.330792666e+01 7.553975513e+01 1.46 3.246071205e+01 5.798228955e+01 6.939896888e+01 1.48 2.937571672e+01 5.307545279e+01 6.372887822e+01 1.50 2.655530655e+01 4.855477048e+01 5.849425916e+01 1.52 2.397745197e+01 4.439094201e+01 5.366240688e+01 1.54 2.162202066e+01 4.055556413e+01 4.919935239e+01 1.56 1.947014366e+01 3.702248858e+01 4.508050779e+01 1.58 1.750246000e+01 3.376869643e+01 4.127961170e+01 1.60 1.570600801e+01 3.077355614e+01 3.777231357e+01 1.62 1.406649866e+01 2.801402227e+01 3.453223076e+01 1.64 1.257269910e+01 2.547527373e+01 3.154370527e+01 1.66 1.113752269e+01 2.314045709e+01 2.878779898e+01 1.68 9.844130618e+00 2.099395786e+01 2.624697357e+01 1.70 8.627521268e+00 1.902087030e+01 2.390487852e+01 1.72 7.484782647e+00 1.720560866e+01 2.174614983e+01 1.74 6.415329340e+00 1.553925667e+01 1.975786821e+01 1.76 5.415741077e+00 1.401040870e+01 1.792730672e+01 1.78 4.483482474e+00 1.258841433e+01 1.624196810e+01 1.80 3.617040818e+00 1.125377100e+01 1.469149822e+01 1.82 2.813687772e+00 1.004314457e+01 1.326491736e+01 1.84 2.070584477e+00 8.899291799e+00 1.194812843e+01 1.86 1.384864705e+00 7.820501183e+00 1.067143680e+01 1.88 7.536469459e-01 6.803267103e+00 9.518513504e+00 1.90 1.740744642e-01 5.847748407e+00 8.428787259e+00 1.92 -3.545065647e-01 4.950819268e+00 7.400641816e+00 1.94 -8.370025060e-01 4.111046597e+00 6.432315887e+00 1.96 -1.276203159e+00 3.326927389e+00 5.521915915e+00 1.98 -1.675011719e+00 2.596184771e+00 4.666732752e+00 2.00 -2.035641862e+00 1.916531380e+00 3.865687517e+00 2.02 -2.360125844e+00 1.285685037e+00 3.115808220e+00 2.04 -2.650729531e+00 7.013823680e-01 2.415903767e+00 2.06 -2.910050831e+00 1.612116853e-01 1.764021411e+00 2.08 -3.139891966e+00 -3.363058000e-01 1.158039736e+00 2.10 -3.342116301e+00 -7.931333460e-01 5.958597375e-01 2.12 -3.518849314e+00 -1.212554604e+00 7.541434082e-02 2.14 -3.671088052e+00 -1.596338819e+00 -4.044424195e-01 2.16 -3.801228474e+00 -1.946293725e+00 -8.465790573e-01 2.18 -3.910611667e+00 -2.264310294e+00 -1.253621945e+00 2.20 -4.000964384e+00 -2.552214017e+00 -1.626849158e+00 2.22 -4.073779391e+00 -2.811763644e+00 -1.968048637e+00 2.24 -4.130453600e+00 -3.044650698e+00 -2.278962736e+00 2.26 -4.172307198e+00 -3.252499530e+00 -2.561274698e+00 2.28 -4.200585923e+00 -3.436867806e+00 -2.816607599e+00 2.30 -4.216463400e+00 -3.599267043e+00 -3.046523967e+00 2.32 -4.221182502e+00 -3.740949545e+00 -3.252525756e+00 2.34 -4.215878234e+00 -3.862978986e+00 -3.436054814e+00 2.36 -4.201248256e+00 -3.966935758e+00 -3.598493634e+00 2.38 -4.178208822e+00 -4.054055303e+00 -3.741347969e+00 2.40 -4.147335607e+00 -4.125780689e+00 -3.865242343e+00 2.42 -4.110074467e+00 -4.183718891e+00 -3.972496465e+00 2.44 -4.066778146e+00 -4.228411438e+00 -4.063229034e+00 2.46 -4.018125359e+00 -4.260857839e+00 -4.138884702e+00 2.48 -3.964533380e+00 -4.282017534e+00 -4.200531386e+00 2.50 -3.905289516e+00 -4.292793199e+00 -4.249175545e+00 2.52 -3.842591673e+00 -4.295197675e+00 -4.285773777e+00 2.54 -3.776908568e+00 -4.289380595e+00 -4.311234262e+00 2.56 -3.708670579e+00 -4.275533020e+00 -4.326418197e+00 2.58 -3.639283257e+00 -4.254378652e+00 -4.332141218e+00 2.60 -3.568429251e+00 -4.226523357e+00 -4.329174830e+00 2.62 -3.496090092e+00 -4.192443175e+00 -4.318247809e+00 2.64 -3.422585234e+00 -4.152991125e+00 -4.300047684e+00 2.66 -3.348288585e+00 -4.108785754e+00 -4.275349001e+00 2.68 -3.274000602e+00 -4.060346137e+00 -4.244596313e+00 2.70 -3.198678100e+00 -4.007429070e+00 -4.208252646e+00 2.72 -3.122910663e+00 -3.950481287e+00 -4.167005699e+00 2.74 -3.047217608e+00 -3.890409345e+00 -4.121357896e+00 2.76 -2.971762655e+00 -3.827866996e+00 -4.071777814e+00 2.78 -2.896697999e+00 -3.763447764e+00 -4.018829739e+00 2.80 -2.822158499e+00 -3.697369700e+00 -3.963011952e+00 2.82 -2.748263745e+00 -3.629767523e+00 -3.904474030e+00 2.84 -2.675119314e+00 -3.560917556e+00 -3.843576066e+00 2.86 -2.602817967e+00 -3.491073383e+00 -3.780641295e+00 2.88 -2.531440773e+00 -3.420467278e+00 -3.715969121e+00 2.90 -2.461058134e+00 -3.349309797e+00 -3.649836369e+00 2.92 -2.391730721e+00 -3.277832467e+00 -3.582498567e+00 2.94 -2.323511673e+00 -3.205548372e+00 -3.514191111e+00 2.96 -2.256735462e+00 -3.133978201e+00 -3.445130419e+00 2.98 -2.191133513e+00 -3.062568491e+00 -3.375515138e+00 3.00 -2.126736798e+00 -2.991424735e+00 -3.305553705e+00 3.02 -2.063569374e+00 -2.920665992e+00 -3.234964917e+00 3.04 -2.001637474e+00 -2.850397907e+00 -3.163899463e+00 3.06 -1.941057126e+00 -2.780714857e+00 -3.092972870e+00 3.08 -1.881992360e+00 -2.711700849e+00 -3.022748766e+00 3.10 -1.823708321e+00 -2.643430347e+00 -2.952874141e+00 3.12 -1.766427370e+00 -2.575969067e+00 -2.883449676e+00 3.14 -1.710469496e+00 -2.509374673e+00 -2.814565742e+00 3.16 -1.655817690e+00 -2.443697468e+00 -2.746303175e+00 3.18 -1.602422127e+00 -2.378981074e+00 -2.678734013e+00 3.20 -1.550210616e+00 -2.315262921e+00 -2.611922167e+00 3.22 -1.499138428e+00 -2.252574611e+00 -2.545924100e+00 3.24 -1.449246446e+00 -2.190940093e+00 -2.480789413e+00 3.26 -1.400591093e+00 -2.130693156e+00 -2.416561307e+00 3.28 -1.353192501e+00 -2.071634177e+00 -2.353277101e+00 3.30 -1.307008821e+00 -2.013651760e+00 -2.290968819e+00 3.32 -1.262018308e+00 -1.956848884e+00 -2.229663960e+00 3.34 -1.218208270e+00 -1.901100308e+00 -2.169384967e+00 3.36 -1.175538015e+00 -1.846055334e+00 -2.110150193e+00 3.38 -1.133990228e+00 -1.791842664e+00 -2.051965580e+00 3.40 -1.093562568e+00 -1.738764911e+00 -1.995059222e+00 3.42 -1.054246372e+00 -1.686848678e+00 -1.939783304e+00 3.44 -1.015949377e+00 -1.636057646e+00 -1.885326520e+00 3.46 -9.786626811e-01 -1.586371149e+00 -1.831524563e+00 3.48 -9.424125833e-01 -1.537729613e+00 -1.778668486e+00 3.50 -9.072201025e-01 -1.490087826e+00 -1.726949531e+00 3.52 -8.730224353e-01 -1.443465573e+00 -1.676325366e+00 3.54 -8.395779698e-01 -1.397912438e+00 -1.626774944e+00 3.56 -8.070577903e-01 -1.353455295e+00 -1.578278887e+00 3.58 -7.755692189e-01 -1.310070195e+00 -1.530777545e+00 3.60 -7.451564211e-01 -1.267737809e+00 -1.484230889e+00 3.62 -7.158496424e-01 -1.226438682e+00 -1.438665239e+00 3.64 -6.876670671e-01 -1.186149809e+00 -1.394131448e+00 3.66 -6.608042038e-01 -1.146849520e+00 -1.350651186e+00 3.68 -6.351611587e-01 -1.108533279e+00 -1.308197322e+00 3.70 -6.102792758e-01 -1.071180890e+00 -1.266754676e+00 3.72 -5.858290016e-01 -1.034777540e+00 -1.226311413e+00 3.74 -5.615791372e-01 -9.992732507e-01 -1.186832221e+00 3.76 -5.373678657e-01 -9.646611830e-01 -1.148447602e+00 3.78 -5.131373872e-01 -9.309469070e-01 -1.111091644e+00 3.80 -4.888736858e-01 -8.980577947e-01 -1.074671066e+00 3.82 -4.645895785e-01 -8.660242929e-01 -1.039138177e+00 3.84 -4.403169451e-01 -8.347424120e-01 -1.004459241e+00 3.86 -4.160861585e-01 -8.042987527e-01 -9.706277241e-01 3.88 -3.918203200e-01 -7.748201720e-01 -9.376648703e-01 3.90 -3.677283363e-01 -7.463396483e-01 -9.055879755e-01 3.92 -3.442439084e-01 -7.189139734e-01 -8.742597798e-01 3.94 -3.242585033e-01 -6.925536256e-01 -8.435686621e-01 3.96 -3.049779399e-01 -6.671072266e-01 -8.136519622e-01 3.98 -2.863957714e-01 -6.425938474e-01 -7.846390887e-01 4.00 -2.685434737e-01 -6.188175008e-01 -7.565771027e-01 4.02 -2.514425434e-01 -5.954908395e-01 -7.294786941e-01 4.04 -2.351025228e-01 -5.724098803e-01 -7.033498502e-01 4.06 -2.195233955e-01 -5.494368089e-01 -6.782695406e-01 4.08 -2.046975846e-01 -5.264700639e-01 -6.543541981e-01 4.10 -1.906116125e-01 -5.034702136e-01 -6.312494784e-01 4.12 -1.772474754e-01 -4.804446239e-01 -6.086559650e-01 4.14 -1.645837792e-01 -4.573832938e-01 -5.863567991e-01 4.16 -1.525966717e-01 -4.345789980e-01 -5.642012620e-01 4.18 -1.412606038e-01 -4.133142099e-01 -5.420873037e-01 4.20 -1.305489483e-01 -3.922773330e-01 -5.199431829e-01 4.22 -1.204344999e-01 -3.714766693e-01 -4.977622200e-01 4.24 -1.108898755e-01 -3.510222307e-01 -4.755609421e-01 4.26 -1.018878336e-01 -3.310328195e-01 -4.533682167e-01 4.28 -9.340437616e-02 -3.115986459e-01 -4.312213579e-01 4.30 -8.570308305e-02 -2.927862669e-01 -4.090783081e-01 4.32 -7.907389184e-02 -2.746427540e-01 -3.869889334e-01 4.34 -7.281159989e-02 -2.571992090e-01 -3.651521670e-01 4.36 -6.691095692e-02 -2.404737289e-01 -3.437242566e-01 4.38 -6.135268450e-02 -2.244738841e-01 -3.228253325e-01 4.40 -5.611816687e-02 -2.091988044e-01 -3.025456124e-01 4.42 -5.118957300e-02 -1.946409194e-01 -2.829506418e-01 4.44 -4.654986767e-02 -1.807874093e-01 -2.640857118e-01 4.46 -4.218281382e-02 -1.676214158e-01 -2.459795875e-01 4.48 -3.807296307e-02 -1.551230350e-01 -2.286476258e-01 4.50 -3.420564202e-02 -1.432701423e-01 -2.120943975e-01 4.52 -3.056693303e-02 -1.320390682e-01 -1.963158782e-01 4.54 -2.714365096e-02 -1.214051489e-01 -1.813012729e-01 4.56 -2.392331874e-02 -1.113431773e-01 -1.670345406e-01 4.58 -2.089413894e-02 -1.018289606e-01 -1.534956457e-01 4.60 -1.804496540e-02 -9.308614555e-02 -1.406615964e-01 4.62 -1.536527428e-02 -8.506389632e-02 -1.285072967e-01 4.64 -1.284513449e-02 -7.748044771e-02 -1.170062403e-01 4.66 -1.047517968e-02 -7.031408310e-02 -1.061310807e-01 4.68 -8.246578963e-03 -6.354373447e-02 -9.585408222e-02 4.70 -6.151009189e-03 -5.714904648e-02 -8.614748387e-02 4.72 -4.180628061e-03 -5.111042065e-02 -7.698378713e-02 4.74 -2.318029628e-03 -4.540904229e-02 -6.833597897e-02 4.76 -1.490712186e-03 -4.002689627e-02 -6.017770558e-02 4.78 -7.268978194e-04 -3.496054845e-02 -5.250440981e-02 4.80 -3.225753122e-05 -3.026581841e-02 -4.540139019e-02 4.82 -1.908519180e-06 -2.802826713e-02 -4.204254942e-02 4.84 0.000000000e+00 -2.600065651e-02 -3.900098476e-02 4.86 0.000000000e+00 -2.408411917e-02 -3.612617876e-02 4.88 0.000000000e+00 -2.226674941e-02 -3.340012412e-02 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