# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # composition = Cd3Zn # 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 1.664262515e+04 nan nan 0.80 1.428941016e+04 nan nan 0.82 1.230546509e+04 nan nan 0.84 1.062815400e+04 nan nan 0.86 9.207382382e+03 1.559376352e+04 nan 0.88 8.002537301e+03 1.359096503e+04 1.607834894e+04 0.90 6.979554812e+03 1.187422914e+04 1.403710005e+04 0.92 6.108280979e+03 1.039517600e+04 1.228635260e+04 0.94 5.362982950e+03 9.116755299e+03 1.078359478e+04 0.96 4.723176111e+03 8.013374750e+03 9.493762320e+03 0.98 4.171600241e+03 7.062819473e+03 8.385841418e+03 1.00 3.694151711e+03 6.243052027e+03 7.432152905e+03 1.02 3.279143318e+03 5.534862182e+03 6.608777219e+03 1.04 2.916315674e+03 4.922846339e+03 5.893045749e+03 1.06 2.597552777e+03 4.393123557e+03 5.264243917e+03 1.08 2.317023610e+03 3.931832655e+03 4.707288528e+03 1.10 2.069934980e+03 3.525698572e+03 4.212864355e+03 1.12 1.851761418e+03 3.164103717e+03 3.773979079e+03 1.14 1.658534628e+03 2.840513497e+03 3.384244839e+03 1.16 1.487159673e+03 2.551237854e+03 3.037859564e+03 1.18 1.335208617e+03 2.293380458e+03 2.729894076e+03 1.20 1.200423975e+03 2.064096224e+03 2.456113053e+03 1.22 1.080611715e+03 1.860437314e+03 2.212619313e+03 1.24 9.738143995e+02 1.679321427e+03 1.995783965e+03 1.26 8.784545676e+02 1.517727795e+03 1.802284734e+03 1.28 7.933165139e+02 1.373064896e+03 1.629356538e+03 1.30 7.173717166e+02 1.243406213e+03 1.474984844e+03 1.32 6.496118107e+02 1.127329448e+03 1.337618597e+03 1.34 5.890069911e+02 1.023619323e+03 1.215712112e+03 1.36 5.345550857e+02 9.311811346e+02 1.107576744e+03 1.38 4.853415008e+02 8.489944850e+02 1.011406041e+03 1.40 4.405904996e+02 7.759992219e+02 9.253436597e+02 1.42 3.997191112e+02 7.110236782e+02 8.476229816e+02 1.44 3.623620201e+02 6.528143813e+02 7.767762410e+02 1.46 3.283165515e+02 6.001310899e+02 7.118091125e+02 1.48 2.974343648e+02 5.518766698e+02 6.521787039e+02 1.50 2.695540653e+02 5.072146181e+02 5.975645857e+02 1.52 2.444885980e+02 4.656064474e+02 5.476778937e+02 1.54 2.220254273e+02 4.267538941e+02 5.022201929e+02 1.56 2.019292052e+02 3.905030286e+02 4.608876794e+02 1.58 1.839474005e+02 3.567538610e+02 4.233701218e+02 1.60 1.678196546e+02 3.254132803e+02 3.893409598e+02 1.62 1.532909782e+02 2.963900818e+02 3.584486378e+02 1.64 1.401276112e+02 2.695990635e+02 3.303216718e+02 1.66 1.281328128e+02 2.449629812e+02 3.045882066e+02 1.68 1.171585169e+02 2.224098613e+02 2.809049386e+02 1.70 1.071067922e+02 2.018663397e+02 2.589886259e+02 1.72 9.791600164e+01 1.832514158e+02 2.386371816e+02 1.74 8.953996823e+01 1.664738254e+02 2.197249762e+02 1.76 8.193485429e+01 1.514316856e+02 2.021713719e+02 1.78 7.505445181e+01 1.380127582e+02 1.859070662e+02 1.80 6.884939750e+01 1.260950935e+02 1.708605982e+02 1.82 6.326770991e+01 1.155481733e+02 1.569582378e+02 1.84 5.825571075e+01 1.062347212e+02 1.441265888e+02 1.86 5.375922562e+01 9.801336760e+01 1.322958377e+02 1.88 4.972493639e+01 9.074227262e+01 1.214029829e+02 1.90 4.610162000e+01 8.428353573e+01 1.113940860e+02 1.92 4.284090521e+01 7.850776102e+01 1.022242672e+02 1.94 3.989733799e+01 7.329786949e+01 9.385485879e+01 1.96 3.722805439e+01 6.855188016e+01 8.624880432e+01 1.98 3.479280949e+01 6.418571831e+01 7.936686809e+01 2.00 3.255474565e+01 6.013639054e+01 7.316607826e+01 2.02 3.048149323e+01 5.636250656e+01 6.759948080e+01 2.04 2.854601344e+01 5.283933315e+01 6.261620150e+01 2.06 2.672661538e+01 4.955069132e+01 5.816168445e+01 2.08 2.500604999e+01 4.648314073e+01 5.417821153e+01 2.10 2.337049855e+01 4.362400668e+01 5.060584647e+01 2.12 2.180938035e+01 4.096066218e+01 4.738396683e+01 2.14 2.031564754e+01 3.847994901e+01 4.445351023e+01 2.16 1.888541044e+01 3.616792060e+01 4.175991044e+01 2.18 1.751667307e+01 3.400990767e+01 3.925638909e+01 2.20 1.620808656e+01 3.199074395e+01 3.690678764e+01 2.22 1.495843189e+01 3.009510164e+01 3.468676992e+01 2.24 1.376655202e+01 2.830795966e+01 3.258238087e+01 2.26 1.263134399e+01 2.661517618e+01 3.058625772e+01 2.28 1.155174805e+01 2.500413729e+01 2.869359626e+01 2.30 1.052673740e+01 2.346436137e+01 2.690001202e+01 2.32 9.555307733e+00 2.198791602e+01 2.520115483e+01 2.34 8.636467786e+00 2.056947557e+01 2.359278247e+01 2.36 7.769229889e+00 1.920592560e+01 2.207083156e+01 2.38 6.952600880e+00 1.789561100e+01 2.063145848e+01 2.40 6.185573499e+00 1.663754463e+01 1.927102953e+01 2.42 5.467118284e+00 1.543091506e+01 1.798604153e+01 2.44 4.796175483e+00 1.427494283e+01 1.677300482e+01 2.46 4.171647737e+00 1.316887716e+01 1.562833370e+01 2.48 3.592393385e+00 1.211199552e+01 1.454829545e+01 2.50 3.057220010e+00 1.110359680e+01 1.352902205e+01 2.52 2.564878869e+00 1.014299411e+01 1.256655435e+01 2.54 2.114060004e+00 9.229507567e+00 1.165690235e+01 2.56 1.703388220e+00 8.362457387e+00 1.079612216e+01 2.58 1.331419980e+00 7.541157069e+00 9.980409807e+00 2.60 9.966414268e-01 6.764906691e+00 9.206206508e+00 2.62 6.974675739e-01 6.032986379e+00 8.470310104e+00 2.64 4.322428693e-01 5.344650112e+00 7.769973102e+00 2.66 1.992432256e-01 4.699118926e+00 7.102975074e+00 2.68 -3.320327600e-03 4.095575672e+00 6.467642496e+00 2.70 -1.772962439e-01 3.533159325e+00 5.862805899e+00 2.72 -3.245851959e-01 3.010959002e+00 5.287689328e+00 2.74 -4.471308515e-01 2.528009529e+00 4.741760700e+00 2.76 -5.469086261e-01 2.083286452e+00 4.224587566e+00 2.78 -6.259123890e-01 1.675702765e+00 3.735747433e+00 2.80 -6.861391541e-01 1.304104671e+00 3.274799034e+00 2.82 -7.295718570e-01 9.672695294e-01 2.841286324e+00 2.84 -7.581604081e-01 6.639039990e-01 2.434741554e+00 2.86 -7.738013183e-01 3.926433331e-01 2.054683723e+00 2.88 -7.783163272e-01 1.520518472e-01 1.700615744e+00 2.90 -7.734306253e-01 -5.937527612e-02 1.372021660e+00 2.92 -7.607514492e-01 -2.432086854e-01 1.068363966e+00 2.94 -7.417480711e-01 -4.010798542e-01 7.890810681e-01 2.96 -7.177344358e-01 -5.346742407e-01 5.335848828e-01 2.98 -6.898559949e-01 -6.457224162e-01 3.012586116e-01 3.00 -6.590825113e-01 -7.359890373e-01 9.145470355e-02 3.02 -6.262087509e-01 -8.072595574e-01 -9.650694967e-02 3.04 -5.918648569e-01 -8.613246383e-01 -2.633406275e-01 3.06 -5.565376422e-01 -8.999623075e-01 -4.097959918e-01 3.08 -5.206027387e-01 -9.249180406e-01 -5.366591007e-01 3.10 -4.843653977e-01 -9.378831005e-01 -6.447530017e-01 3.12 -4.481046616e-01 -9.404717025e-01 -7.349379367e-01 3.14 -4.121124709e-01 -9.341978454e-01 -8.081111115e-01 3.16 -3.767175139e-01 -9.204529874e-01 -8.652059335e-01 3.18 -3.422858042e-01 -9.004861368e-01 -9.071908001e-01 3.20 -3.091976206e-01 -8.753883111e-01 -9.350672175e-01 3.22 -2.778112601e-01 -8.460836642e-01 -9.498673314e-01 3.24 -2.484297878e-01 -8.133296962e-01 -9.526508200e-01 3.26 -2.212806845e-01 -7.777287079e-01 -9.445010066e-01 3.28 -1.965065398e-01 -7.397517100e-01 -9.265203086e-01 3.30 -1.741613374e-01 -6.997741219e-01 -8.998248956e-01 3.32 -1.542105309e-01 -6.581196580e-01 -8.655386248e-01 3.34 -1.365356013e-01 -6.151052328e-01 -8.247861531e-01 3.36 -1.209442276e-01 -5.710768506e-01 -7.786853535e-01 3.38 -1.071870425e-01 -5.264267212e-01 -7.283390345e-01 3.40 -9.498127654e-02 -4.815876508e-01 -6.748260398e-01 3.42 -8.404018789e-02 -4.370112107e-01 -6.191917805e-01 3.44 -7.410489566e-02 -3.931438821e-01 -5.624383866e-01 3.46 -6.497247937e-02 -3.504115704e-01 -5.055145767e-01 3.48 -5.651236048e-02 -3.092117214e-01 -4.493054427e-01 3.50 -4.866449961e-02 -2.699079204e-01 -3.946223613e-01 3.52 -4.141977689e-02 -2.328247514e-01 -3.421932684e-01 3.54 -3.479265255e-02 -1.982427108e-01 -2.926535531e-01 3.56 -2.879997281e-02 -1.663932974e-01 -2.465378660e-01 3.58 -2.345152821e-02 -1.374544368e-01 -2.042731388e-01 3.60 -1.874762670e-02 -1.115464327e-01 -1.661731434e-01 3.62 -1.467846643e-02 -8.872867796e-02 -1.324349290e-01 3.64 -1.122386158e-02 -6.899740628e-02 -1.031375020e-01 3.66 -8.353269365e-03 -5.228481904e-02 -7.824314157e-02 3.68 -6.026204198e-03 -3.845998102e-02 -5.760177939e-02 3.70 -4.193127786e-03 -2.733192801e-02 -4.095890949e-02 3.72 -2.796892864e-03 -1.865545480e-02 -2.796750737e-02 3.74 -1.774786920e-03 -1.214001753e-02 -1.820439317e-02 3.76 -1.061164504e-03 -7.462042522e-03 -1.119129460e-02 3.78 -5.905663165e-04 -4.280622275e-03 -6.420461627e-03 3.80 -3.011011207e-04 -2.256037106e-03 -3.383952797e-03 3.82 -1.377267662e-04 -1.069745192e-03 -1.604600354e-03 3.84 -5.494539435e-05 -4.435122786e-04 -6.652662741e-04 3.86 -1.838800245e-05 -1.544741529e-04 -2.317110557e-04 3.88 -4.884299026e-06 -4.266233206e-05 -6.399349004e-05 3.90 -9.493523031e-07 -8.567433811e-06 -1.285115054e-05 3.92 -1.192124060e-07 -1.092030454e-06 -1.638045680e-06 3.94 -7.910632082e-09 -7.051421331e-08 -1.057713200e-07 3.96 -1.961464197e-10 -1.547071508e-09 -2.320607263e-09 3.98 -9.456071312e-13 -5.416916882e-12 -8.125375323e-12 4.00 -2.195200707e-16 -7.271995524e-16 -1.090799329e-15 4.02 -6.631785114e-23 -1.770435298e-22 -2.655652946e-22 4.04 -5.259862584e-38 -1.402630022e-37 -2.103945034e-37 4.06 -3.424981933e-111 -9.133285155e-111 -1.369992773e-110 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 0.000000000e+00 0.000000000e+00 4.18 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