# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Cu # implementation = 2018--Jeong-G-U--Pd-Cu--LAMMPS--ipr1 # composition = CuPd3 # 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 1.215311399e+03 nan nan 0.86 1.123187199e+03 nan nan 0.88 1.037781477e+03 nan nan 0.90 9.586176479e+02 nan nan 0.92 8.852521627e+02 9.111336303e+02 nan 0.94 8.172722672e+02 8.492277377e+02 1.146799562e+03 0.96 7.542939062e+02 7.913073846e+02 1.070673776e+03 0.98 6.959597690e+02 7.371264751e+02 9.993471527e+02 1.00 6.419374652e+02 6.864535403e+02 9.325294086e+02 1.02 5.919178234e+02 6.390709018e+02 8.699471597e+02 1.04 5.456133027e+02 5.947738811e+02 8.113429740e+02 1.06 5.027565118e+02 5.533700518e+02 7.564744762e+02 1.08 4.630988270e+02 5.146785344e+02 7.051134992e+02 1.10 4.264091035e+02 4.785293284e+02 6.570452825e+02 1.12 3.924724735e+02 4.447626830e+02 6.120677143e+02 1.14 3.610892247e+02 4.132285020e+02 5.699906135e+02 1.16 3.320737556e+02 3.837857818e+02 5.306350525e+02 1.18 3.052536005e+02 3.563020812e+02 4.938327156e+02 1.20 2.804685211e+02 3.306530208e+02 4.594252936e+02 1.22 2.575696591e+02 3.067218105e+02 4.272639105e+02 1.24 2.364187469e+02 2.843988034e+02 3.972085834e+02 1.26 2.168873716e+02 2.635810756e+02 3.691277103e+02 1.28 1.988562891e+02 2.441720289e+02 3.428975875e+02 1.30 1.822147853e+02 2.260810166e+02 3.184019536e+02 1.32 1.668600800e+02 2.092229908e+02 2.955315585e+02 1.34 1.526967728e+02 1.935181690e+02 2.741837563e+02 1.36 1.396363257e+02 1.788917208e+02 2.542621215e+02 1.38 1.275965821e+02 1.652734719e+02 2.356760863e+02 1.40 1.165013181e+02 1.525976250e+02 2.183405981e+02 1.42 1.062798251e+02 1.408024977e+02 2.021757968e+02 1.44 9.686652087e+01 1.298302745e+02 1.871067096e+02 1.46 8.820058765e+01 1.196267734e+02 1.730629637e+02 1.48 8.022563492e+01 1.101412269e+02 1.599785146e+02 1.50 7.288938576e+01 1.013260745e+02 1.477913907e+02 1.52 6.614338481e+01 9.313676822e+01 1.364434513e+02 1.54 5.994272647e+01 8.553158890e+01 1.258801595e+02 1.56 5.424580197e+01 7.847147382e+01 1.160503674e+02 1.58 4.901406410e+01 7.191985399e+01 1.069061138e+02 1.60 4.421180826e+01 6.584250128e+01 9.840243346e+01 1.62 3.980596880e+01 6.020738446e+01 9.049717756e+01 1.64 3.576592960e+01 5.498453378e+01 8.315084421e+01 1.66 3.206334794e+01 5.014591368e+01 7.632641895e+01 1.68 2.867199067e+01 4.566530290e+01 6.998922448e+01 1.70 2.556758189e+01 4.151818188e+01 6.410677906e+01 1.72 2.272766141e+01 3.768162682e+01 5.864866319e+01 1.74 2.013145308e+01 3.413421011e+01 5.358639411e+01 1.76 1.775974250e+01 3.085590671e+01 4.889330756e+01 1.78 1.559476337e+01 2.782800620e+01 4.454444655e+01 1.80 1.362009181e+01 2.503303010e+01 4.051645665e+01 1.82 1.182054832e+01 2.245465424e+01 3.678748741e+01 1.84 1.018210655e+01 2.007763575e+01 3.333709968e+01 1.86 8.691808710e+00 1.788774457e+01 3.014617835e+01 1.88 7.337686907e+00 1.587169912e+01 2.719685030e+01 1.90 6.108690190e+00 1.401710583e+01 2.447240723e+01 1.92 4.994616760e+00 1.231240246e+01 2.195723310e+01 1.94 3.986051078e+00 1.074680482e+01 1.963673589e+01 1.96 3.074305482e+00 9.310256834e+00 1.749728348e+01 1.98 2.251366015e+00 7.993383639e+00 1.552614334e+01 2.00 1.509842161e+00 6.787447590e+00 1.371142591e+01 2.02 8.429202204e-01 5.684307003e+00 1.204203132e+01 2.04 2.443200594e-01 4.676377454e+00 1.050759944e+01 2.06 -2.917449923e-01 3.756595485e+00 9.098462864e+00 2.08 -7.706053301e-01 2.918384584e+00 7.805602812e+00 2.10 -1.197169548e+00 2.155623285e+00 6.620607706e+00 2.12 -1.575956393e+00 1.462615276e+00 5.535634275e+00 2.14 -1.911124379e+00 8.340613858e-01 4.543371054e+00 2.16 -2.206499221e+00 2.650333377e-01 3.637004123e+00 2.18 -2.465599264e+00 -2.490508373e-01 2.810184952e+00 2.20 -2.691659016e+00 -7.124498270e-01 2.057000245e+00 2.22 -2.887650963e+00 -1.129120603e+00 1.371943644e+00 2.24 -3.056305748e+00 -1.502738607e+00 7.498891938e-01 2.26 -3.200130869e+00 -1.836716653e+00 1.860664592e-01 2.28 -3.321427968e+00 -2.134222609e+00 -3.239628023e-01 2.30 -3.422308843e+00 -2.398195954e+00 -7.843265072e-01 2.32 -3.504710252e+00 -2.631363255e+00 -1.198862739e+00 2.34 -3.570407616e+00 -2.836252655e+00 -1.571138951e+00 2.36 -3.621027680e+00 -3.015207414e+00 -1.904469956e+00 2.38 -3.658060233e+00 -3.170398576e+00 -2.201934775e+00 2.40 -3.682868926e+00 -3.303836805e+00 -2.466392416e+00 2.42 -3.696701285e+00 -3.417383450e+00 -2.700496651e+00 2.44 -3.700697955e+00 -3.512760884e+00 -2.906709845e+00 2.46 -3.695901236e+00 -3.591562166e+00 -3.087315898e+00 2.48 -3.683262978e+00 -3.655260058e+00 -3.244432358e+00 2.50 -3.663651858e+00 -3.705215453e+00 -3.380021753e+00 2.52 -3.637860106e+00 -3.742685241e+00 -3.495902188e+00 2.54 -3.606609710e+00 -3.768829650e+00 -3.593757257e+00 2.56 -3.570602748e+00 -3.784719099e+00 -3.675145308e+00 2.58 -3.530904618e+00 -3.791340590e+00 -3.741508104e+00 2.60 -3.487766949e+00 -3.789603670e+00 -3.794178918e+00 2.62 -3.440559881e+00 -3.780345994e+00 -3.834390095e+00 2.64 -3.390645454e+00 -3.764338508e+00 -3.863280117e+00 2.66 -3.338429377e+00 -3.742290283e+00 -3.881900196e+00 2.68 -3.284278977e+00 -3.714853017e+00 -3.891220440e+00 2.70 -3.228526430e+00 -3.682625347e+00 -3.892135594e+00 2.72 -3.171471738e+00 -3.646204210e+00 -3.885470415e+00 2.74 -3.113385469e+00 -3.606331177e+00 -3.871984667e+00 2.76 -3.054511271e+00 -3.563138776e+00 -3.852377798e+00 2.78 -2.995068194e+00 -3.516743524e+00 -3.827293291e+00 2.80 -2.935252819e+00 -3.467884450e+00 -3.797322722e+00 2.82 -2.875241212e+00 -3.416914000e+00 -3.763009544e+00 2.84 -2.815190726e+00 -3.364153738e+00 -3.724852610e+00 2.86 -2.755241655e+00 -3.309896702e+00 -3.683309460e+00 2.88 -2.695518746e+00 -3.254409594e+00 -3.638799373e+00 2.90 -2.636132592e+00 -3.197934814e+00 -3.591706216e+00 2.92 -2.577180911e+00 -3.140692351e+00 -3.542381096e+00 2.94 -2.518749716e+00 -3.082881534e+00 -3.491144817e+00 2.96 -2.460914385e+00 -3.024682663e+00 -3.438290181e+00 2.98 -2.403740651e+00 -2.966258516e+00 -3.384084113e+00 3.00 -2.347285495e+00 -2.907755752e+00 -3.328769646e+00 3.02 -2.291597975e+00 -2.849306208e+00 -3.272567759e+00 3.04 -2.236719980e+00 -2.791028103e+00 -3.215679091e+00 3.06 -2.182686918e+00 -2.733027150e+00 -3.158285525e+00 3.08 -2.129528347e+00 -2.675397590e+00 -3.100551665e+00 3.10 -2.077268551e+00 -2.618223148e+00 -3.042626203e+00 3.12 -2.025927066e+00 -2.561577914e+00 -2.984643769e+00 3.14 -1.975519161e+00 -2.505527162e+00 -2.926774781e+00 3.16 -1.926056274e+00 -2.450128106e+00 -2.869237262e+00 3.18 -1.877546411e+00 -2.395430594e+00 -2.811840088e+00 3.20 -1.829994509e+00 -2.341477759e+00 -2.754498081e+00 3.22 -1.783402770e+00 -2.288306608e+00 -2.697602241e+00 3.24 -1.737770957e+00 -2.235948575e+00 -2.641222362e+00 3.26 -1.693096671e+00 -2.184430022e+00 -2.585417523e+00 3.28 -1.649375598e+00 -2.133772714e+00 -2.530239517e+00 3.30 -1.606601733e+00 -2.083994238e+00 -2.475733480e+00 3.32 -1.564767587e+00 -2.035108407e+00 -2.421938475e+00 3.34 -1.523864372e+00 -1.987125620e+00 -2.368888032e+00 3.36 -1.483882166e+00 -1.940053195e+00 -2.316610638e+00 3.38 -1.444810065e+00 -1.893895679e+00 -2.265130201e+00 3.40 -1.406636323e+00 -1.848655129e+00 -2.214466467e+00 3.42 -1.369348473e+00 -1.804331372e+00 -2.164635411e+00 3.44 -1.332933436e+00 -1.760922238e+00 -2.115649593e+00 3.46 -1.297377627e+00 -1.718423781e+00 -2.067518486e+00 3.48 -1.262667039e+00 -1.676830477e+00 -2.020248779e+00 3.50 -1.228787327e+00 -1.636135406e+00 -1.973844654e+00 3.52 -1.195723880e+00 -1.596330417e+00 -1.928308041e+00 3.54 -1.163461885e+00 -1.557406277e+00 -1.883638851e+00 3.56 -1.131986384e+00 -1.519352816e+00 -1.839835192e+00 3.58 -1.101282328e+00 -1.482159046e+00 -1.796893561e+00 3.60 -1.071311162e+00 -1.445813279e+00 -1.754809026e+00 3.62 -1.037961276e+00 -1.410303228e+00 -1.713575391e+00 3.64 -9.861478663e-01 -1.375616103e+00 -1.673185343e+00 3.66 -9.743674319e-01 -1.341738698e+00 -1.633630590e+00 3.68 -9.841335025e-01 -1.308657464e+00 -1.594901985e+00 3.70 -9.626673650e-01 -1.276358580e+00 -1.556989639e+00 3.72 -9.416105224e-01 -1.244828019e+00 -1.519883025e+00 3.74 -9.209491811e-01 -1.214051599e+00 -1.483571070e+00 3.76 -9.006702036e-01 -1.184015038e+00 -1.448042241e+00 3.78 -8.807611446e-01 -1.154703995e+00 -1.413284621e+00 3.80 -8.612102821e-01 -1.126104114e+00 -1.379285978e+00 3.82 -8.420066413e-01 -1.098185629e+00 -1.346033829e+00 3.84 -8.231400141e-01 -1.069582635e+00 -1.313515496e+00 3.86 -8.046009696e-01 -1.034069205e+00 -1.281718155e+00 3.88 -7.863808594e-01 -9.853073500e-01 -1.250628882e+00 3.90 -7.684718146e-01 -9.436004411e-01 -1.220234697e+00 3.92 -7.508667355e-01 -9.201819139e-01 -1.190522595e+00 3.94 -7.335547478e-01 -8.973579115e-01 -1.161479583e+00 3.96 -7.127184620e-01 -8.751147453e-01 -1.133092705e+00 3.98 -6.590959361e-01 -8.534389419e-01 -1.105349072e+00 4.00 -5.051506979e-01 -8.323172516e-01 -1.078235878e+00 4.02 -2.539703723e-01 -8.117366545e-01 -1.051740425e+00 4.04 -2.303059575e-01 -7.916843658e-01 -1.025850137e+00 4.06 -2.232505536e-01 -7.721478393e-01 -1.000552578e+00 4.08 -2.164070973e-01 -7.531147703e-01 -9.758354592e-01 4.10 -2.097694566e-01 -7.345730967e-01 -9.516866567e-01 4.12 -2.033316540e-01 -7.165109994e-01 -9.280942156e-01 4.14 -1.970878652e-01 -6.989169023e-01 -9.050463598e-01 4.16 -1.910324175e-01 -6.817794704e-01 -8.825314977e-01 4.18 -1.851597871e-01 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