# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgCu3 # 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 2.780599783e+02 nan nan 1.02 2.538781945e+02 nan nan 1.04 2.318616625e+02 nan nan 1.06 2.118034946e+02 nan nan 1.08 1.935211030e+02 nan nan 1.10 1.768485271e+02 2.668187593e+02 nan 1.12 1.616341560e+02 2.454086074e+02 2.798298103e+02 1.14 1.477394698e+02 2.257686559e+02 2.579474938e+02 1.16 1.350398853e+02 2.077462452e+02 2.378377892e+02 1.18 1.234263517e+02 1.911984531e+02 2.193422766e+02 1.20 1.128030384e+02 1.759924673e+02 2.023206097e+02 1.22 1.030819863e+02 1.620082294e+02 1.866483475e+02 1.24 9.418112409e+01 1.491393107e+02 1.722113323e+02 1.26 8.602567257e+01 1.372922208e+02 1.589039041e+02 1.28 7.854885678e+01 1.263830978e+02 1.466300062e+02 1.30 7.169041065e+01 1.163338078e+02 1.353032629e+02 1.32 6.539517247e+01 1.070707527e+02 1.248457270e+02 1.34 5.961331443e+01 9.852645694e+01 1.151863329e+02 1.36 5.430124430e+01 9.064111441e+01 1.062601669e+02 1.38 4.942125520e+01 8.336212469e+01 9.800784804e+01 1.40 4.494021094e+01 7.664238294e+01 9.037486681e+01 1.42 4.082770392e+01 7.043904145e+01 8.331144987e+01 1.44 3.705476663e+01 6.471243067e+01 7.677278521e+01 1.46 3.359327240e+01 5.942487318e+01 7.071854615e+01 1.48 3.041630396e+01 5.454042706e+01 6.511221582e+01 1.50 2.749894885e+01 5.002528531e+01 5.991991120e+01 1.52 2.481887543e+01 4.584862645e+01 5.511017800e+01 1.54 2.235628468e+01 4.198307954e+01 5.065428023e+01 1.56 2.009342859e+01 3.840431510e+01 4.652631140e+01 1.58 1.801394590e+01 3.509025871e+01 4.270269844e+01 1.60 1.610250561e+01 3.202090416e+01 3.916183331e+01 1.62 1.434512450e+01 2.917843588e+01 3.588358749e+01 1.64 1.272964205e+01 2.654724607e+01 3.284887433e+01 1.66 1.124402316e+01 2.411348994e+01 3.003911030e+01 1.68 9.877738490e+00 2.186442478e+01 2.743607073e+01 1.70 8.621790679e+00 1.978775083e+01 2.502222456e+01 1.72 7.468543386e+00 1.787123986e+01 2.278154548e+01 1.74 6.411330541e+00 1.610264079e+01 2.070012914e+01 1.76 5.444088478e+00 1.447009540e+01 1.876622645e+01 1.78 4.561117923e+00 1.296323021e+01 1.696980224e+01 1.80 3.756867327e+00 1.157157186e+01 1.530192404e+01 1.82 3.025876511e+00 1.028573564e+01 1.375499150e+01 1.84 2.362671688e+00 9.097566463e+00 1.232193978e+01 1.86 1.761782761e+00 7.999957719e+00 1.099559320e+01 1.88 1.217789019e+00 6.986544880e+00 9.769335049e+00 1.90 7.254324762e-01 6.051440540e+00 8.636997941e+00 1.92 2.797287278e-01 5.189087049e+00 7.592727350e+00 1.94 -1.239082527e-01 4.394223000e+00 6.630786179e+00 1.96 -4.896251256e-01 3.661922046e+00 5.745423664e+00 1.98 -8.210965633e-01 2.987679032e+00 4.930845727e+00 2.00 -1.121534695e+00 2.367433856e+00 4.181286152e+00 2.02 -1.393701012e+00 1.797560938e+00 3.491217723e+00 2.04 -1.639926959e+00 1.274797590e+00 2.855567915e+00 2.06 -1.862169834e+00 7.961578400e-01 2.269890338e+00 2.08 -2.062089788e+00 3.588403251e-01 1.730356504e+00 2.10 -2.241141572e+00 -3.982334183e-02 1.233688678e+00 2.12 -2.400658147e+00 -4.024052212e-01 7.770016368e-01 2.14 -2.541920373e+00 -7.313753259e-01 3.576850488e-01 2.16 -2.666203495e+00 -1.029123082e+00 -2.673355969e-02 2.18 -2.774786236e+00 -1.297948294e+00 -3.786622260e-01 2.20 -2.868949386e+00 -1.540057558e+00 -7.004683777e-01 2.22 -2.949946086e+00 -1.757586409e+00 -9.944994101e-01 2.24 -3.018956932e+00 -1.952586129e+00 -1.263003868e+00 2.26 -3.077099382e+00 -2.127054187e+00 -1.508090887e+00 2.28 -3.126126011e+00 -2.282911367e+00 -1.731613712e+00 2.30 -3.166383805e+00 -2.422035622e+00 -1.935179964e+00 2.32 -3.197765768e+00 -2.546219625e+00 -2.120110587e+00 2.34 -3.220388405e+00 -2.657145916e+00 -2.287523329e+00 2.36 -3.234592245e+00 -2.756311723e+00 -2.438373355e+00 2.38 -3.240915730e+00 -2.844979115e+00 -2.573522355e+00 2.40 -3.240047607e+00 -2.924147123e+00 -2.693783633e+00 2.42 -3.232862470e+00 -2.994575386e+00 -2.799959695e+00 2.44 -3.220329299e+00 -3.056832443e+00 -2.892859998e+00 2.46 -3.203088841e+00 -3.111437580e+00 -2.973320528e+00 2.48 -3.181677443e+00 -3.159244094e+00 -3.042227751e+00 2.50 -3.156537394e+00 -3.200459860e+00 -3.100524596e+00 2.52 -3.128027719e+00 -3.234751595e+00 -3.149219069e+00 2.54 -3.096437739e+00 -3.261953461e+00 -3.189572912e+00 2.56 -3.062002085e+00 -3.282026526e+00 -3.223233009e+00 2.58 -3.024919936e+00 -3.295047263e+00 -3.250633228e+00 2.60 -2.985357527e+00 -3.301188713e+00 -3.272138634e+00 2.62 -2.943452797e+00 -3.300712845e+00 -3.288130555e+00 2.64 -2.899329135e+00 -3.294096736e+00 -3.298951401e+00 2.66 -2.853103877e+00 -3.281794720e+00 -3.304871960e+00 2.68 -2.804899723e+00 -3.264262002e+00 -3.306091666e+00 2.70 -2.754852435e+00 -3.242003323e+00 -3.302823248e+00 2.72 -2.703119320e+00 -3.215555373e+00 -3.295261889e+00 2.74 -2.649880700e+00 -3.185461236e+00 -3.283480969e+00 2.76 -2.595344446e+00 -3.152238500e+00 -3.267572861e+00 2.78 -2.539736971e+00 -3.116349763e+00 -3.247662604e+00 2.80 -2.483298889e+00 -3.078182076e+00 -3.223909956e+00 2.82 -2.426272726e+00 -3.038044911e+00 -3.196512320e+00 2.84 -2.368892528e+00 -2.996166002e+00 -3.165701273e+00 2.86 -2.311379961e+00 -2.952710490e+00 -3.131739131e+00 2.88 -2.253928588e+00 -2.907799733e+00 -3.094914541e+00 2.90 -2.196708315e+00 -2.861534102e+00 -3.055528734e+00 2.92 -2.139863107e+00 -2.814010157e+00 -3.013884205e+00 2.94 -2.083510728e+00 -2.765332856e+00 -2.970266486e+00 2.96 -2.027746802e+00 -2.715622853e+00 -2.924939201e+00 2.98 -1.972646535e+00 -2.665017254e+00 -2.878139138e+00 3.00 -1.918270313e+00 -2.613670930e+00 -2.830075955e+00 3.02 -1.864666798e+00 -2.561750581e+00 -2.780935369e+00 3.04 -1.811877372e+00 -2.509432102e+00 -2.730889108e+00 3.06 -1.759937836e+00 -2.456892763e+00 -2.680100820e+00 3.08 -1.708880232e+00 -2.404305078e+00 -2.628735553e+00 3.10 -1.658733600e+00 -2.351828348e+00 -2.576963018e+00 3.12 -1.609522880e+00 -2.299603265e+00 -2.524957446e+00 3.14 -1.561267828e+00 -2.247746951e+00 -2.472895125e+00 3.16 -1.513982694e+00 -2.196348917e+00 -2.420943573e+00 3.18 -1.467674933e+00 -2.145472747e+00 -2.369253313e+00 3.20 -1.422342673e+00 -2.095155709e+00 -2.317945347e+00 3.22 -1.377977036e+00 -2.045414375e+00 -2.267106265e+00 3.24 -1.334559479e+00 -1.996246318e+00 -2.216783168e+00 3.26 -1.292065077e+00 -1.947640483e+00 -2.166991292e+00 3.28 -1.250460194e+00 -1.899576801e+00 -2.117713934e+00 3.30 -1.209704021e+00 -1.852033063e+00 -2.068915658e+00 3.32 -1.169751897e+00 -1.804989802e+00 -2.020552672e+00 3.34 -1.130553740e+00 -1.758431838e+00 -1.972582124e+00 3.36 -1.092057279e+00 -1.712351392e+00 -1.924968809e+00 3.38 -1.054209529e+00 -1.666746960e+00 -1.877692960e+00 3.40 -1.016957128e+00 -1.621631013e+00 -1.830749502e+00 3.42 -9.802514925e-01 -1.577016076e+00 -1.784152870e+00 3.44 -9.440487908e-01 -1.532922084e+00 -1.737931523e+00 3.46 -9.083133911e-01 -1.489372912e+00 -1.692129379e+00 3.48 -8.730235183e-01 -1.446392685e+00 -1.646800860e+00 3.50 -8.381710252e-01 -1.404004519e+00 -1.602007330e+00 3.52 -8.037682071e-01 -1.362228899e+00 -1.557814094e+00 3.54 -7.698480513e-01 -1.321081043e+00 -1.514286872e+00 3.56 -7.364661768e-01 -1.280572108e+00 -1.471488014e+00 3.58 -7.036996454e-01 -1.240706301e+00 -1.429474059e+00 3.60 -6.716412906e-01 -1.201484139e+00 -1.388293928e+00 3.62 -6.404004920e-01 -1.162900020e+00 -1.347985630e+00 3.64 -6.100836441e-01 -1.124946398e+00 -1.308578371e+00 3.66 -5.807930350e-01 -1.087614081e+00 -1.270090551e+00 3.68 -5.526131770e-01 -1.050894577e+00 -1.232530512e+00 3.70 -5.256048255e-01 -1.014783134e+00 -1.195898257e+00 3.72 -4.997986416e-01 -9.792822714e-01 -1.160187001e+00 3.74 -4.751947320e-01 -9.444011443e-01 -1.125380218e+00 3.76 -4.517678925e-01 -9.101617491e-01 -1.091466098e+00 3.78 -4.294657587e-01 -8.765954465e-01 -1.058419003e+00 3.80 -4.082213999e-01 -8.437470841e-01 -1.026215958e+00 3.82 -3.879586878e-01 -8.116688614e-01 -9.948304078e-01 3.84 -3.686001341e-01 -7.804210685e-01 -9.642361306e-01 3.86 -3.500725611e-01 -7.500633034e-01 -9.344044216e-01 3.88 -3.323130719e-01 -7.206529035e-01 -9.053074498e-01 3.90 -3.152706542e-01 -6.922368853e-01 -8.769164605e-01 3.92 -2.989097061e-01 -6.648485671e-01 -8.492017178e-01 3.94 -2.832073736e-01 -6.385036773e-01 -8.221341818e-01 3.96 -2.681533319e-01 -6.131978340e-01 -7.956823458e-01 3.98 -2.537464709e-01 -5.889121622e-01 -7.698156296e-01 4.00 -2.399894405e-01 -5.656063903e-01 -7.445007169e-01 4.02 -2.268864641e-01 -5.432269053e-01 -7.197032674e-01 4.04 -2.144374904e-01 -5.217102655e-01 -6.953883144e-01 4.06 -2.026371247e-01 -5.009851549e-01 -6.715189677e-01 4.08 -1.914704134e-01 -4.809751561e-01 -6.480553762e-01 4.10 -1.809140956e-01 -4.616042694e-01 -6.249583001e-01 4.12 -1.709359238e-01 -4.427966117e-01 -6.021870856e-01 4.14 -1.614957866e-01 -4.244795726e-01 -5.796999636e-01 4.16 -1.525485072e-01 -4.065849499e-01 -5.574562425e-01 4.18 -1.440449767e-01 -3.890510041e-01 -5.354166830e-01 4.20 -1.359357416e-01 -3.718236794e-01 -5.135457601e-01 4.22 -1.281717313e-01 -3.548562738e-01 -4.918108431e-01 4.24 -1.207075540e-01 -3.381132857e-01 -4.701880029e-01 4.26 -1.135019405e-01 -3.215690987e-01 -4.486616425e-01 4.28 -1.065193120e-01 -3.052096835e-01 -4.272261244e-01 4.30 -9.973138045e-02 -2.890343027e-01 -4.058901621e-01 4.32 -9.311763668e-02 -2.730553018e-01 -3.846776807e-01 4.34 -8.666562705e-02 -2.572979219e-01 -3.636283430e-01 4.36 -8.037054748e-02 -2.418000330e-01 -3.427982178e-01 4.38 -7.423588981e-02 -2.266109646e-01 -3.222602854e-01 4.40 -6.827187119e-02 -2.117892870e-01 -3.021009880e-01 4.42 -6.249484936e-02 -1.973986250e-01 -2.824154704e-01 4.44 -5.692570981e-02 -1.835065433e-01 -2.633063001e-01 4.46 -5.158816104e-02 -1.701789765e-01 -2.448758268e-01 4.48 -4.650653435e-02 -1.574758121e-01 -2.272193315e-01 4.50 -4.170397750e-02 -1.454484607e-01 -2.104214139e-01 4.52 -3.720083168e-02 -1.341364861e-01 -1.945507512e-01 4.54 -3.301264564e-02 -1.235655777e-01 -1.796563961e-01 4.56 -2.914957064e-02 -1.137457892e-01 -1.657647716e-01 4.58 -2.561564569e-02 -1.046732281e-01 -1.528810267e-01 4.60 -2.240886290e-02 -9.633012144e-02 -1.409919179e-01 4.62 -1.952147284e-02 -8.868732615e-02 -1.300644729e-01 4.64 -1.694059128e-02 -8.170551972e-02 -1.200505083e-01 4.66 -1.464918743e-02 -7.533941309e-02 -1.108920306e-01 4.68 -1.262758481e-02 -6.953928346e-02 -1.025235585e-01 4.70 -1.085454976e-02 -6.425316025e-02 -9.487534786e-02 4.72 -9.307665851e-03 -5.942904370e-02 -8.787673237e-02 4.74 -7.964472308e-03 -5.501633608e-02 -8.145861332e-02 4.76 -6.802947366e-03 -5.096743239e-02 -7.555512559e-02 4.78 -5.802146149e-03 -4.723841582e-02 -7.010465805e-02 4.80 -4.942529077e-03 -4.378966056e-02 -6.505158721e-02 4.82 -4.206136904e-03 -4.058584877e-02 -6.034660967e-02 4.84 -3.576725827e-03 -3.759614618e-02 -5.594658396e-02 4.86 -3.039769323e-03 -3.479444210e-02 -5.181496079e-02 4.88 -2.582408549e-03 -3.215905216e-02 -4.792141773e-02 4.90 -2.193321251e-03 -2.967240364e-02 -4.424143574e-02 4.92 -1.862651590e-03 -2.732082989e-02 -4.075605964e-02 4.94 -1.581844199e-03 -2.509422251e-02 -3.745142056e-02 4.96 -1.343516763e-03 -2.298543922e-02 -3.431789019e-02 4.98 -1.141315628e-03 -2.098975708e-02 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