# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Pd3Pt # 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 1.241543989e+03 nan nan 0.88 1.129022026e+03 nan nan 0.90 1.027847372e+03 nan nan 0.92 9.367231029e+02 nan nan 0.94 8.545196140e+02 nan nan 0.96 7.802513848e+02 1.126245959e+03 1.265852804e+03 0.98 7.130557078e+02 1.033158008e+03 1.162599438e+03 1.00 6.521753029e+02 9.486009431e+02 1.068734143e+03 1.02 5.969441875e+02 8.716898839e+02 9.832870357e+02 1.04 5.467753232e+02 8.016438276e+02 9.054016109e+02 1.06 5.011500744e+02 7.377723801e+02 8.343207634e+02 1.08 4.596090413e+02 6.794628839e+02 7.693727751e+02 1.10 4.217447403e+02 6.261713993e+02 7.099614157e+02 1.12 3.871952070e+02 5.774139006e+02 6.555556727e+02 1.14 3.556384642e+02 5.327583852e+02 6.056818847e+02 1.16 3.267869366e+02 4.918193898e+02 5.599168816e+02 1.18 3.003840122e+02 4.542519421e+02 5.178816976e+02 1.20 2.762001590e+02 4.197467580e+02 4.792367486e+02 1.22 2.540295577e+02 3.880258304e+02 4.436770350e+02 1.24 2.336876723e+02 3.588395756e+02 4.109279409e+02 1.26 2.150086243e+02 3.319633198e+02 3.807425208e+02 1.28 1.978432004e+02 3.071946925e+02 3.528979448e+02 1.30 1.820568728e+02 2.843506942e+02 3.271929204e+02 1.32 1.675284170e+02 2.632661722e+02 3.034454431e+02 1.34 1.541484036e+02 2.437917770e+02 2.814907995e+02 1.36 1.418176982e+02 2.257921808e+02 2.611796485e+02 1.38 1.304467354e+02 2.091446526e+02 2.423763394e+02 1.40 1.199543401e+02 1.937376457e+02 2.249575852e+02 1.42 1.102668905e+02 1.794697145e+02 2.088114439e+02 1.44 1.013175183e+02 1.662487561e+02 1.938359348e+02 1.46 9.304522969e+01 1.539908103e+02 1.799380938e+02 1.48 8.539477416e+01 1.426192842e+02 1.670329547e+02 1.50 7.831573818e+01 1.320644112e+02 1.550428543e+02 1.52 7.176224311e+01 1.222624328e+02 1.438971172e+02 1.54 6.569237983e+01 1.131549987e+02 1.335309633e+02 1.56 6.006786444e+01 1.046886194e+02 1.238850506e+02 1.58 5.485364384e+01 9.681435231e+01 1.149050963e+02 1.60 5.001779381e+01 8.948752726e+01 1.065412709e+02 1.62 4.553098309e+01 8.266711975e+01 9.874773445e+01 1.64 4.136632344e+01 7.631541016e+01 9.148249893e+01 1.66 3.750096653e+01 7.039778942e+01 8.470693951e+01 1.68 3.391396928e+01 6.488243747e+01 7.838549662e+01 1.70 3.058614155e+01 5.974006558e+01 7.248534565e+01 1.72 2.750945028e+01 5.494370022e+01 6.697637563e+01 1.74 2.466506625e+01 5.046848305e+01 6.183079067e+01 1.76 2.203741619e+01 4.629148980e+01 5.702294013e+01 1.78 1.961180085e+01 4.239149514e+01 5.252905796e+01 1.80 1.737455333e+01 3.874893426e+01 4.832722292e+01 1.82 1.531290999e+01 3.534913486e+01 4.439724539e+01 1.84 1.341491045e+01 3.217602466e+01 4.072042451e+01 1.86 1.166936446e+01 2.921823551e+01 3.728117814e+01 1.88 1.006573591e+01 2.646766601e+01 3.406413164e+01 1.90 8.594105908e+00 2.390949512e+01 3.105545520e+01 1.92 7.245429979e+00 2.153178800e+01 2.825167909e+01 1.94 6.011059381e+00 1.932327986e+01 2.563815069e+01 1.96 4.882782020e+00 1.727338087e+01 2.320333856e+01 1.98 3.852947107e+00 1.537213432e+01 2.093638491e+01 2.00 2.914537447e+00 1.361017760e+01 1.882706723e+01 2.02 2.061264083e+00 1.197870559e+01 1.686536354e+01 2.04 1.287099036e+00 1.046943663e+01 1.504236025e+01 2.06 5.861186318e-01 9.074429129e+00 1.334959411e+01 2.08 -4.707313594e-02 7.786178184e+00 1.177903782e+01 2.10 -6.175228739e-01 6.598031954e+00 1.032312732e+01 2.12 -1.129948353e+00 5.503127984e+00 8.974734879e+00 2.14 -1.588757792e+00 4.495521867e+00 7.727143795e+00 2.16 -1.997991396e+00 3.569653711e+00 6.574025456e+00 2.18 -2.360606812e+00 2.720145914e+00 5.509265726e+00 2.20 -2.681139198e+00 1.941975600e+00 4.527336256e+00 2.22 -2.962930354e+00 1.230543892e+00 3.622977276e+00 2.24 -3.209102046e+00 5.812039482e-01 2.791205052e+00 2.26 -3.422562747e+00 -1.025843830e-02 2.027330408e+00 2.28 -3.606225570e+00 -5.478040959e-01 1.327144703e+00 2.30 -3.762336036e+00 -1.035224318e+00 6.862897833e-01 2.32 -3.893652940e+00 -1.476160812e+00 1.008427548e-01 2.34 -4.002666029e+00 -1.873618947e+00 -4.328896185e-01 2.36 -4.090661167e+00 -2.230332349e+00 -9.183821058e-01 2.38 -4.159748395e+00 -2.549155283e+00 -1.359454405e+00 2.40 -4.211665846e+00 -2.833235337e+00 -1.759239847e+00 2.42 -4.247065241e+00 -3.085121598e+00 -2.119694712e+00 2.44 -4.267919442e+00 -3.307201436e+00 -2.443319985e+00 2.46 -4.275786660e+00 -3.501709946e+00 -2.733197792e+00 2.48 -4.271932233e+00 -3.670602286e+00 -2.991720711e+00 2.50 -4.257524837e+00 -3.815875861e+00 -3.221134586e+00 2.52 -4.233643662e+00 -3.939462308e+00 -3.423546682e+00 2.54 -4.201284624e+00 -4.043074127e+00 -3.600932708e+00 2.56 -4.161366162e+00 -4.128310892e+00 -3.754919695e+00 2.58 -4.114734666e+00 -4.196665987e+00 -3.887469449e+00 2.60 -4.062169551e+00 -4.249537497e+00 -4.000212705e+00 2.62 -4.004383158e+00 -4.288026732e+00 -4.094673680e+00 2.64 -3.941931148e+00 -4.313040131e+00 -4.172279077e+00 2.66 -3.875260087e+00 -4.326525179e+00 -4.234850535e+00 2.68 -3.805562890e+00 -4.329592875e+00 -4.283617533e+00 2.70 -3.732981912e+00 -4.322842897e+00 -4.318903614e+00 2.72 -3.657982815e+00 -4.307185246e+00 -4.341758418e+00 2.74 -3.580986431e+00 -4.283465998e+00 -4.353607202e+00 2.76 -3.502518749e+00 -4.252479661e+00 -4.355395688e+00 2.78 -3.421145011e+00 -4.216458332e+00 -4.348009226e+00 2.80 -3.338130432e+00 -4.175472196e+00 -4.332273301e+00 2.82 -3.254627751e+00 -4.129136837e+00 -4.308957181e+00 2.84 -3.171451756e+00 -4.078036137e+00 -4.278777347e+00 2.86 -3.089251179e+00 -4.022727383e+00 -4.242400734e+00 2.88 -3.007168190e+00 -3.963371639e+00 -4.200447792e+00 2.90 -2.925397216e+00 -3.900374582e+00 -4.153495359e+00 2.92 -2.844112833e+00 -3.834588203e+00 -4.102079382e+00 2.94 -2.763475391e+00 -3.766405603e+00 -4.046699735e+00 2.96 -2.684510638e+00 -3.696192589e+00 -3.987627491e+00 2.98 -2.606395270e+00 -3.624287266e+00 -3.924980858e+00 3.00 -2.529242254e+00 -3.550881434e+00 -3.859685473e+00 3.02 -2.453151200e+00 -3.475724477e+00 -3.792111629e+00 3.04 -2.378209388e+00 -3.398488293e+00 -3.722596744e+00 3.06 -2.304493233e+00 -3.320664552e+00 -3.651458776e+00 3.08 -2.232391756e+00 -3.242575054e+00 -3.581765710e+00 3.10 -2.161615387e+00 -3.164407543e+00 -3.510547278e+00 3.12 -2.092212133e+00 -3.086340530e+00 -3.436660714e+00 3.14 -2.024222662e+00 -3.008534052e+00 -3.362065706e+00 3.16 -1.957679421e+00 -2.931132833e+00 -3.287051970e+00 3.18 -1.892606902e+00 -2.854267391e+00 -3.211798704e+00 3.20 -1.829028541e+00 -2.778055071e+00 -3.136482243e+00 3.22 -1.766960896e+00 -2.702601015e+00 -3.061261072e+00 3.24 -1.706401121e+00 -2.627989210e+00 -2.986279564e+00 3.26 -1.647344944e+00 -2.555488446e+00 -2.911668931e+00 3.28 -1.589794741e+00 -2.484354484e+00 -2.837548097e+00 3.30 -1.533699659e+00 -2.414207197e+00 -2.764024557e+00 3.32 -1.479014518e+00 -2.345108201e+00 -2.691195183e+00 3.34 -1.425770133e+00 -2.277111300e+00 -2.619146935e+00 3.36 -1.373983185e+00 -2.210262795e+00 -2.547957463e+00 3.38 -1.323542847e+00 -2.144602789e+00 -2.477695945e+00 3.40 -1.274326316e+00 -2.080164556e+00 -2.408423715e+00 3.42 -1.226340778e+00 -2.016976358e+00 -2.340194365e+00 3.44 -1.179700318e+00 -1.955060526e+00 -2.273055058e+00 3.46 -1.134493469e+00 -1.894433861e+00 -2.207046396e+00 3.48 -1.090734465e+00 -1.835112524e+00 -2.142202990e+00 3.50 -1.048369819e+00 -1.777109605e+00 -2.078554510e+00 3.52 -1.007360522e+00 -1.720420797e+00 -2.016124859e+00 3.54 -9.676621986e-01 -1.665043159e+00 -1.954934177e+00 3.56 -9.292360141e-01 -1.610978488e+00 -1.894995987e+00 3.58 -8.920542612e-01 -1.558196516e+00 -1.836326234e+00 3.60 -8.560981814e-01 -1.506652200e+00 -1.778934543e+00 3.62 -8.213493736e-01 -1.456337450e+00 -1.722816536e+00 3.64 -7.877563248e-01 -1.407265685e+00 -1.667965620e+00 3.66 -7.552461935e-01 -1.359405997e+00 -1.614389622e+00 3.68 -7.237652570e-01 -1.312669537e+00 -1.562055865e+00 3.70 -6.933481425e-01 -1.267002433e+00 -1.510917241e+00 3.72 -6.640211138e-01 -1.222437603e+00 -1.460966327e+00 3.74 -6.357978762e-01 -1.179060822e+00 -1.412242914e+00 3.76 -6.086817402e-01 -1.136924914e+00 -1.365230988e+00 3.78 -5.826927009e-01 -1.096036402e+00 -1.319605764e+00 3.80 -5.578502533e-01 -1.056355168e+00 -1.274952137e+00 3.82 -5.341047398e-01 -1.017849344e+00 -1.231320122e+00 3.84 -5.112683799e-01 -9.804875358e-01 -1.188796587e+00 3.86 -4.891823739e-01 -9.442334592e-01 -1.147447298e+00 3.88 -4.677283145e-01 -9.090627352e-01 -1.107282578e+00 3.90 -4.468200531e-01 -8.749588280e-01 -1.068261683e+00 3.92 -4.263969505e-01 -8.419069311e-01 -1.030356323e+00 3.94 -4.064183024e-01 -8.098923391e-01 -9.935408660e-01 3.96 -3.868587548e-01 -7.788542299e-01 -9.577825708e-01 3.98 -3.677045568e-01 -7.487222318e-01 -9.230553660e-01 4.00 -3.489480925e-01 -7.194849787e-01 -8.893449479e-01 4.02 -3.305627121e-01 -6.911727199e-01 -8.566386933e-01 4.04 -3.125377487e-01 -6.638055631e-01 -8.249240664e-01 4.06 -2.949213656e-01 -6.373944007e-01 -7.941787059e-01 4.08 -2.777940769e-01 -6.119423889e-01 -7.643183867e-01 4.10 -2.612151895e-01 -5.874485774e-01 -7.352969662e-01 4.12 -2.452265655e-01 -5.639708369e-01 -7.071465856e-01 4.14 -2.298557916e-01 -5.414847352e-01 -6.798912532e-01 4.16 -2.151188445e-01 -5.198374260e-01 -6.535458207e-01 4.18 -2.010223265e-01 -4.988870684e-01 -6.281173846e-01 4.20 -1.875653365e-01 -4.785248962e-01 -6.036065059e-01 4.22 -1.747410314e-01 -4.586690971e-01 -5.800194040e-01 4.24 -1.625379256e-01 -4.392596524e-01 -5.574296297e-01 4.26 -1.509409686e-01 -4.202540021e-01 -5.357482635e-01 4.28 -1.399324354e-01 -4.016234176e-01 -5.148205373e-01 4.30 -1.294926588e-01 -3.833499793e-01 -4.945258833e-01 4.32 -1.195898606e-01 -3.654240715e-01 -4.747718663e-01 4.34 -1.110609237e-01 -3.478423157e-01 -4.554890332e-01 4.36 -1.034461634e-01 -3.305854934e-01 -4.366265539e-01 4.38 -9.623322747e-02 -3.136101203e-01 -4.181485459e-01 4.40 -8.940372414e-02 -2.969830424e-01 -4.000309877e-01 4.42 -8.293959430e-02 -2.807730485e-01 -3.822591381e-01 4.44 -7.682320818e-02 -2.650322397e-01 -3.648253890e-01 4.46 -7.103743823e-02 -2.497987786e-01 -3.477274883e-01 4.48 -6.556571243e-02 -2.350992376e-01 -3.309457333e-01 4.50 -6.039205142e-02 -2.209505995e-01 -3.144377885e-01 4.52 -5.550109235e-02 -2.073619594e-01 -2.982723261e-01 4.54 -5.087810213e-02 -1.943359683e-01 -2.825121638e-01 4.56 -4.650898191e-02 -1.818700573e-01 -2.672050330e-01 4.58 -4.238026475e-02 -1.699607366e-01 -2.523860174e-01 4.60 -3.847910781e-02 -1.592804387e-01 -2.380796428e-01 4.62 -3.479328023e-02 -1.497594556e-01 -2.243016645e-01 4.64 -3.131114785e-02 -1.406788839e-01 -2.110605935e-01 4.66 -2.802165551e-02 -1.320248022e-01 -1.983589972e-01 4.68 -2.491430756e-02 -1.237826524e-01 -1.861946049e-01 4.70 -2.197914721e-02 -1.159374701e-01 -1.745612456e-01 4.72 -1.920673517e-02 -1.084740767e-01 -1.634496412e-01 4.74 -1.657305718e-02 -1.013772364e-01 -1.528480764e-01 4.76 -1.547576431e-02 -9.463178467e-02 -1.427429603e-01 4.78 -1.444925683e-02 -8.822273215e-02 -1.331192985e-01 4.80 -1.347280531e-02 -8.213534749e-02 -1.239610862e-01 4.82 -1.254407223e-02 -7.635522273e-02 -1.152516345e-01 4.84 -1.166082233e-02 -7.086832378e-02 -1.069738408e-01 4.86 -1.082091874e-02 -6.566102838e-02 -9.911041010e-02 4.88 -1.002231908e-02 -6.072015365e-02 -9.164403522e-02 4.90 -9.263071701e-03 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-5.563340017e-04 -3.286458230e-03 -4.932506061e-03 5.28 -2.710630801e-04 -1.599646259e-03 -2.400144837e-03 5.30 -5.264041527e-16 -2.505385008e-15 -2.921069919e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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