# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Zhou-X-W-Ward-D-K-Foster-M-E--C-Cu # implementation = 2015--Zhou-X-W--C-Cu--LAMMPS--ipr1 # composition = CCu3 # 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 2.00 3.201480121e+01 6.930116237e+01 8.603363265e+01 2.02 2.897245619e+01 6.322278792e+01 7.865101884e+01 2.04 2.613465521e+01 5.784989910e+01 7.231945789e+01 2.06 nan 5.309780006e+01 6.660103156e+01 2.08 nan 4.864423636e+01 6.122633370e+01 2.10 nan 4.419283862e+01 5.589989910e+01 2.12 nan 4.043413385e+01 5.140867439e+01 2.14 nan 3.694055126e+01 4.735805065e+01 2.16 nan 3.346124680e+01 4.313400028e+01 2.18 nan 3.055550671e+01 3.969148180e+01 2.20 nan 2.777595194e+01 3.643435452e+01 2.22 nan 2.530471644e+01 3.344829659e+01 2.24 nan 2.273820980e+01 3.029879279e+01 2.26 nan 2.063655541e+01 2.657630609e+04 2.28 nan 1.870779291e+01 2.526017411e+01 2.30 nan 1.689271184e+01 2.302457788e+01 2.32 nan 1.509838582e+01 2.071695925e+01 2.34 nan 1.357261719e+01 1.883127517e+01 2.36 nan 1.220168419e+01 1.710024301e+01 2.38 nan 1.080896713e+01 1.530977263e+01 2.40 nan 9.632702164e+00 1.385307987e+01 2.42 nan 8.578079276e+00 1.250534603e+01 2.44 nan 7.588255012e+00 1.125549637e+01 2.46 nan 6.601185695e+00 9.944186972e+00 2.48 nan 5.795524949e+00 8.883471033e+00 2.50 nan 5.040968771e+00 7.907150053e+00 2.52 nan 4.374867735e+00 7.009075191e+00 2.54 nan 3.711057693e+00 6.068036286e+00 2.56 nan 3.187273387e+00 5.317110638e+00 2.58 nan 2.739782543e+00 4.628071004e+00 2.60 nan 2.334329468e+00 3.996389637e+00 2.62 nan 1.928987591e+00 3.330048402e+00 2.64 nan 1.624222084e+00 2.806467974e+00 2.66 nan 1.340389552e+00 2.328298997e+00 2.68 nan 1.040208584e+00 1.820954335e+00 2.70 nan 7.991907918e-01 1.428388122e+00 2.72 nan 5.783766247e-01 1.071687431e+00 2.74 nan 3.733200248e-01 7.482648029e-01 2.76 nan 1.402945198e-01 4.019594041e-01 2.78 nan -3.384912192e-02 1.416281283e-01 2.80 nan -1.931334503e-01 -9.233154816e-02 2.82 nan -3.325901055e-01 -3.018199776e-01 2.84 nan -4.874496970e-01 -5.290098479e-01 2.86 nan -6.074963967e-01 -6.919985020e-01 2.88 nan -7.141338965e-01 -8.356105365e-01 2.90 nan -8.300023108e-01 -9.907819414e-01 2.92 nan -8.895121334e-01 -1.066545698e+00 2.94 nan -9.176379824e-01 -1.097077088e+00 2.96 nan -9.192504241e-01 -1.089436168e+00 2.98 nan -9.156427107e-01 -1.075390588e+00 3.00 nan -8.789277450e-01 -1.012673604e+00 3.02 nan -8.316254428e-01 -9.297832862e-01 3.04 nan -7.786884174e-01 -8.338671447e-01 3.06 nan -7.364257956e-01 -7.518175915e-01 3.08 nan -6.841752144e-01 -6.552526060e-01 3.10 nan -6.378294718e-01 -5.704450480e-01 3.12 nan -5.997571463e-01 -5.029026156e-01 3.14 nan -5.801557311e-01 -4.691884695e-01 3.16 nan -5.619174659e-01 -4.441199592e-01 3.18 nan -5.544178899e-01 -4.404796833e-01 3.20 nan 1.528554627e+04 2.477825607e+04 3.22 nan -5.622102702e-01 -4.704102102e-01 3.24 nan -5.581848778e-01 -4.744197156e-01 3.26 nan -5.510577956e-01 -4.742828877e-01 3.28 nan -5.461039987e-01 -4.777242752e-01 3.30 nan -5.338370488e-01 -4.704117392e-01 3.32 nan -5.198736634e-01 -4.606728736e-01 3.34 nan -5.046255846e-01 -4.490331163e-01 3.36 nan -4.924663132e-01 -4.419662959e-01 3.38 nan -4.762536754e-01 -4.286790631e-01 3.40 nan -4.597448200e-01 -4.147340707e-01 3.42 nan -4.432715018e-01 -4.005636623e-01 3.44 nan -4.271304946e-01 -3.865562956e-01 3.46 nan -4.115794660e-01 -3.730511529e-01 3.48 nan -3.968331570e-01 -3.603331597e-01 3.50 nan -3.830601271e-01 -3.486287550e-01 3.52 nan -3.703803015e-01 -3.381027298e-01 3.54 nan -3.588635309e-01 -3.288564098e-01 3.56 nan -3.485293101e-01 -3.209273429e-01 3.58 nan -3.393478653e-01 -3.142905942e-01 3.60 nan -3.312433482e-01 -3.088619511e-01 3.62 nan -3.241022592e-01 -3.045049130e-01 3.64 nan -3.177983495e-01 -3.010501741e-01 3.66 nan -3.122632268e-01 -2.983580938e-01 3.68 nan -3.076202249e-01 -2.964817131e-01 3.70 nan -3.041821905e-01 -2.958175030e-01 3.72 nan -3.017194132e-01 -2.962605484e-01 3.74 -2.353537191e-01 -3.003703856e-01 -2.982787102e-01 3.76 -2.300731935e-01 -2.984890069e-01 -2.994630358e-01 3.78 -2.247792299e-01 -2.961842535e-01 -2.999705596e-01 3.80 -2.194856991e-01 -2.935000381e-01 -2.998614903e-01 3.82 -2.142050774e-01 -2.904769564e-01 -2.991917685e-01 3.84 -2.089485569e-01 -2.871525141e-01 -2.980133435e-01 3.86 -2.037261472e-01 -2.835613394e-01 -2.963744387e-01 3.88 -1.985467717e-01 -2.797353801e-01 -2.943197939e-01 3.90 -1.934183551e-01 -2.757040889e-01 -2.918908957e-01 3.92 -1.883479047e-01 -2.714945960e-01 -2.891261934e-01 3.94 -1.833415871e-01 -2.671318704e-01 -2.860612995e-01 3.96 -1.784047973e-01 -2.626388709e-01 -2.827291790e-01 3.98 -1.735422235e-01 -2.580366865e-01 -2.791603254e-01 4.00 -1.687579073e-01 -2.533446672e-01 -2.753829268e-01 4.02 -1.640552988e-01 -2.485805476e-01 -2.714230195e-01 4.04 -1.594373082e-01 -2.437605613e-01 -2.673046346e-01 4.06 -1.549063535e-01 -2.388995465e-01 -2.630499314e-01 4.08 -1.504644031e-01 -2.340110479e-01 -2.586793271e-01 4.10 -1.461130176e-01 -2.291074072e-01 -2.542116126e-01 4.12 -1.418533867e-01 -2.241998522e-01 -2.496640659e-01 4.14 -1.376863628e-01 -2.192985766e-01 -2.450525551e-01 4.16 -1.336124944e-01 -2.144128152e-01 -2.403916352e-01 4.18 -1.296320541e-01 -2.095509156e-01 -2.356946403e-01 4.20 -1.257450664e-01 -2.047204028e-01 -2.309737674e-01 4.22 -1.219513319e-01 -1.999280405e-01 -2.262401563e-01 4.24 -1.182504510e-01 -1.951798894e-01 -2.215039650e-01 4.26 -1.146418449e-01 -1.904813589e-01 -2.167744378e-01 4.28 -1.111247742e-01 -1.858372566e-01 -2.120599700e-01 4.30 -1.076983575e-01 -1.812518364e-01 -2.073681707e-01 4.32 -1.043615876e-01 -1.767288386e-01 -2.027059170e-01 4.34 -1.011133469e-01 -1.722715329e-01 -1.980794092e-01 4.36 -9.795241991e-02 -1.678827531e-01 -1.934942184e-01 4.38 -9.487750774e-02 -1.635649334e-01 -1.889553335e-01 4.40 -9.188723766e-02 -1.593201398e-01 -1.844672047e-01 4.42 -8.898017545e-02 -1.551501008e-01 -1.800337836e-01 4.44 -8.615483427e-02 -1.510562345e-01 -1.756585601e-01 4.46 -8.340968261e-02 -1.470396751e-01 -1.713445980e-01 4.48 -8.074315397e-02 -1.431012966e-01 -1.670945679e-01 4.50 -7.815365312e-02 -1.391593397e-01 -1.629107770e-01 4.52 -7.563956304e-02 -1.345863335e-01 -1.587951980e-01 4.54 -7.319925060e-02 -1.293637331e-01 -1.547494959e-01 4.56 -7.083107275e-02 -1.236560492e-01 -1.507750516e-01 4.58 -6.853338087e-02 -1.176483437e-01 -1.468729862e-01 4.60 -6.630452499e-02 -1.115341662e-01 -1.430441817e-01 4.62 -6.414285829e-02 -1.055038001e-01 -1.392893006e-01 4.64 -6.204262457e-02 -9.973348259e-02 -1.356088049e-01 4.66 -5.908774110e-02 -9.437615889e-02 -1.320029740e-01 4.68 -5.472001577e-02 -8.955420319e-02 -1.284719195e-01 4.70 -4.921531860e-02 -8.535439693e-02 -1.250156003e-01 4.72 -4.289433800e-02 -8.182530309e-02 -1.216338373e-01 4.74 -3.610278411e-02 -7.897702439e-02 -1.183263255e-01 4.76 -2.919094318e-02 -7.673560103e-02 -1.150926468e-01 4.78 -2.249431716e-02 -7.462151971e-02 -1.119322796e-01 4.80 -1.631633630e-02 -7.256307344e-02 -1.088446102e-01 4.82 -1.091394644e-02 -7.055262814e-02 -1.058289422e-01 4.84 -6.486670631e-03 -6.858967015e-02 -1.028845052e-01 4.86 -3.169510709e-03 -6.667364192e-02 -1.000104629e-01 4.88 -1.029822349e-03 -6.480394705e-02 -9.720592058e-02 4.90 -6.807126650e-05 -6.297995475e-02 -9.446993212e-02 4.92 0.000000000e+00 -6.120100415e-02 -9.180150623e-02 4.94 0.000000000e+00 -5.946640903e-02 -8.919961355e-02 4.96 0.000000000e+00 -5.777546015e-02 -8.666319022e-02 4.98 0.000000000e+00 -5.612742978e-02 -8.419114467e-02 5.00 0.000000000e+00 -5.452157387e-02 -8.178236081e-02 5.02 0.000000000e+00 -5.295713593e-02 -7.943570389e-02 5.04 0.000000000e+00 -5.143334839e-02 -7.715002259e-02 5.06 0.000000000e+00 -4.994943659e-02 -7.492415489e-02 5.08 0.000000000e+00 -4.850461905e-02 -7.275692858e-02 5.10 0.000000000e+00 -4.709811123e-02 -7.064716685e-02 5.12 0.000000000e+00 -4.572912639e-02 -6.859368958e-02 5.14 0.000000000e+00 -4.439687748e-02 -6.659531621e-02 5.16 0.000000000e+00 -4.310057884e-02 -6.465086826e-02 5.18 0.000000000e+00 -4.183944699e-02 -6.275917049e-02 5.20 0.000000000e+00 -4.040235085e-02 -6.060352628e-02 5.22 0.000000000e+00 -3.820084604e-02 -5.730126905e-02 5.24 0.000000000e+00 -3.530738087e-02 -5.296107130e-02 5.26 0.000000000e+00 -3.186314525e-02 -4.779471787e-02 5.28 0.000000000e+00 -2.802579827e-02 -4.203869741e-02 5.30 0.000000000e+00 -2.396160962e-02 -3.594241444e-02 5.32 0.000000000e+00 -1.983768487e-02 -2.975652731e-02 5.34 0.000000000e+00 -1.581460882e-02 -2.372191323e-02 5.36 0.000000000e+00 -1.203980722e-02 -1.805971083e-02 5.38 0.000000000e+00 -8.641873076e-03 -1.296280961e-02 5.40 0.000000000e+00 -5.726050203e-03 -8.589075304e-03 5.42 0.000000000e+00 -3.371003210e-03 -5.056504815e-03 5.44 0.000000000e+00 -1.626939067e-03 -2.440408601e-03 5.46 0.000000000e+00 -5.150820567e-04 -7.726230851e-04 5.48 0.000000000e+00 -2.844544964e-05 -4.266817445e-05 5.50 0.000000000e+00 -1.258176991e-16 -1.077535367e-16 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 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 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