# 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 = Au3Cu # 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 5.667902481e+02 nan nan 1.02 5.201173507e+02 nan nan 1.04 4.775440975e+02 nan nan 1.06 4.386699518e+02 nan nan 1.08 4.031403391e+02 nan nan 1.10 3.706408450e+02 5.454638391e+02 nan 1.12 3.408892762e+02 5.041291579e+02 5.705623057e+02 1.14 3.136303724e+02 4.661290402e+02 5.283476907e+02 1.16 2.886334824e+02 4.311674569e+02 4.894674026e+02 1.18 2.656904061e+02 3.989787848e+02 4.536283231e+02 1.20 2.446152479e+02 3.693211597e+02 4.205669496e+02 1.22 2.252427588e+02 3.419730247e+02 3.900465621e+02 1.24 2.074262334e+02 3.167319928e+02 3.618543181e+02 1.26 1.910333907e+02 2.934165254e+02 3.357984611e+02 1.28 1.759431989e+02 2.718654785e+02 3.117033087e+02 1.30 1.620437783e+02 2.519359573e+02 2.894064762e+02 1.32 1.492324354e+02 2.334993315e+02 2.687582508e+02 1.34 1.374158012e+02 2.164378442e+02 2.496223802e+02 1.36 1.265101832e+02 2.006415793e+02 2.318756319e+02 1.38 1.164403598e+02 1.860084699e+02 2.154067041e+02 1.40 1.071385051e+02 1.724442541e+02 2.001148005e+02 1.42 9.854303397e+01 1.598627669e+02 1.859084108e+02 1.44 9.059799380e+01 1.481860539e+02 1.727047125e+02 1.46 8.325216714e+01 1.373437701e+02 1.604286602e+02 1.48 7.645843754e+01 1.272726937e+02 1.490121730e+02 1.50 7.017277165e+01 1.179153924e+02 1.383925295e+02 1.52 6.435404329e+01 1.092190438e+02 1.285112808e+02 1.54 5.896396349e+01 1.011344674e+02 1.193136933e+02 1.56 5.396736830e+01 9.361552251e+01 1.107486615e+02 1.58 4.933240023e+01 8.661897038e+01 1.027689264e+02 1.60 4.503063451e+01 8.010474610e+01 9.533115917e+01 1.62 4.103683032e+01 7.403599878e+01 8.839561224e+01 1.64 3.732866138e+01 6.837949825e+01 8.192612488e+01 1.66 3.388599189e+01 6.310522382e+01 7.588961800e+01 1.68 3.069022990e+01 5.818613007e+01 7.025598854e+01 1.70 2.772377437e+01 5.359765509e+01 6.499761304e+01 1.72 2.496979095e+01 4.931744675e+01 6.008883486e+01 1.74 2.241243011e+01 4.532502341e+01 5.550556613e+01 1.76 2.003690837e+01 4.160147021e+01 5.122508711e+01 1.78 1.783004325e+01 3.812904861e+01 4.722593081e+01 1.80 1.579681393e+01 3.489096752e+01 4.348816212e+01 1.82 1.393325970e+01 3.187103119e+01 3.999326857e+01 1.84 1.222607160e+01 2.905371479e+01 3.672426911e+01 1.86 1.066285354e+01 2.642425427e+01 3.366564860e+01 1.88 9.232076655e+00 2.396887894e+01 3.080335029e+01 1.90 7.923134816e+00 2.167491043e+01 2.812455532e+01 1.92 6.726332742e+00 1.953080859e+01 2.561745999e+01 1.94 5.632893203e+00 1.752694690e+01 2.327109717e+01 1.96 4.634808957e+00 1.566680901e+01 2.107512093e+01 1.98 3.724741116e+00 1.394906164e+01 1.901980059e+01 2.00 2.895896723e+00 1.236388536e+01 1.709682186e+01 2.02 2.141988185e+00 1.090180616e+01 1.531269333e+01 2.04 1.457198748e+00 9.553966298e+00 1.366316928e+01 2.06 8.361804257e-01 8.312109060e+00 1.213862283e+01 2.08 2.739990832e-01 7.168516484e+00 1.073005000e+01 2.10 -2.339050235e-01 6.115998928e+00 9.429072169e+00 2.12 -6.917742381e-01 5.147893938e+00 8.227941985e+00 2.14 -1.103592842e+00 4.258037700e+00 7.119504817e+00 2.16 -1.473129445e+00 3.440726890e+00 6.097166789e+00 2.18 -1.803935702e+00 2.690695376e+00 5.154839407e+00 2.20 -2.099345644e+00 2.003096569e+00 4.286902237e+00 2.22 -2.362460453e+00 1.373418190e+00 3.488082164e+00 2.24 -2.596109470e+00 7.975200448e-01 2.753493211e+00 2.26 -2.802862122e+00 2.715394559e-01 2.078513797e+00 2.28 -2.985013217e+00 -2.080668174e-01 1.458877765e+00 2.30 -3.144616890e+00 -6.446068000e-01 8.905865191e-01 2.32 -3.283502498e+00 -1.041128718e+00 3.699852012e-01 2.34 -3.403312293e+00 -1.400494982e+00 -1.063333570e-01 2.36 -3.505528253e+00 -1.725365382e+00 -5.414804338e-01 2.38 -3.591502270e+00 -2.018233994e+00 -9.383362904e-01 2.40 -3.662483350e+00 -2.281431423e+00 -1.299564485e+00 2.42 -3.719636547e+00 -2.517132735e+00 -1.627630038e+00 2.44 -3.764071322e+00 -2.727371465e+00 -1.924837035e+00 2.46 -3.797001737e+00 -2.914039478e+00 -2.193323688e+00 2.48 -3.819558409e+00 -3.078912126e+00 -2.435110378e+00 2.50 -3.832632585e+00 -3.223654368e+00 -2.652095821e+00 2.52 -3.836701674e+00 -3.349830415e+00 -2.846074800e+00 2.54 -3.832194306e+00 -3.458929973e+00 -3.018757609e+00 2.56 -3.819603839e+00 -3.552359059e+00 -3.171758792e+00 2.58 -3.799466065e+00 -3.631461239e+00 -3.306602408e+00 2.60 -3.772344058e+00 -3.697522148e+00 -3.424715174e+00 2.62 -3.738800504e+00 -3.751757460e+00 -3.527414294e+00 2.64 -3.699438054e+00 -3.795314948e+00 -3.615913275e+00 2.66 -3.654917594e+00 -3.829294867e+00 -3.691307489e+00 2.68 -3.605916171e+00 -3.854791180e+00 -3.754592131e+00 2.70 -3.553100696e+00 -3.872654641e+00 -3.806660212e+00 2.72 -3.497109505e+00 -3.883645698e+00 -3.848327806e+00 2.74 -3.438530537e+00 -3.887990116e+00 -3.880348056e+00 2.76 -3.377883167e+00 -3.885909180e+00 -3.903638675e+00 2.78 -3.315613344e+00 -3.877652813e+00 -3.918791679e+00 2.80 -3.252089567e+00 -3.863485844e+00 -3.926438364e+00 2.82 -3.187608267e+00 -3.843682813e+00 -3.926885591e+00 2.84 -3.122404418e+00 -3.818508501e+00 -3.920437636e+00 2.86 -3.056665223e+00 -3.788232171e+00 -3.907487745e+00 2.88 -2.990530664e+00 -3.753148967e+00 -3.888500607e+00 2.90 -2.924111857e+00 -3.713563027e+00 -3.863990121e+00 2.92 -2.857503268e+00 -3.669785137e+00 -3.834486961e+00 2.94 -2.790782665e+00 -3.622136313e+00 -3.800495457e+00 2.96 -2.724024574e+00 -3.570954514e+00 -3.762519006e+00 2.98 -2.657302715e+00 -3.516590750e+00 -3.721026419e+00 3.00 -2.590695925e+00 -3.459417534e+00 -3.676428155e+00 3.02 -2.524287932e+00 -3.399822637e+00 -3.629079738e+00 3.04 -2.458166159e+00 -3.338206497e+00 -3.579286428e+00 3.06 -2.392424873e+00 -3.274972911e+00 -3.527316615e+00 3.08 -2.327158958e+00 -3.210515786e+00 -3.473411457e+00 3.10 -2.262462696e+00 -3.145204447e+00 -3.417793250e+00 3.12 -2.198429533e+00 -3.079373070e+00 -3.360671217e+00 3.14 -2.135148455e+00 -3.013306833e+00 -3.302245301e+00 3.16 -2.072702999e+00 -2.947239467e+00 -3.242702342e+00 3.18 -2.011170224e+00 -2.881352650e+00 -3.182217884e+00 3.20 -1.950620128e+00 -2.815782224e+00 -3.120952437e+00 3.22 -1.891116453e+00 -2.750623090e+00 -3.059048398e+00 3.24 -1.832712615e+00 -2.685941566e+00 -2.996629888e+00 3.26 -1.775460118e+00 -2.621784417e+00 -2.933807708e+00 3.28 -1.719398304e+00 -2.558183285e+00 -2.870676308e+00 3.30 -1.664559532e+00 -2.495161063e+00 -2.807314822e+00 3.32 -1.610970792e+00 -2.432739960e+00 -2.743800420e+00 3.34 -1.558650437e+00 -2.370943646e+00 -2.680206406e+00 3.36 -1.507608684e+00 -2.309796755e+00 -2.616604040e+00 3.38 -1.457852797e+00 -2.249324867e+00 -2.553073982e+00 3.40 -1.409379669e+00 -2.189572003e+00 -2.489696854e+00 3.42 -1.362183046e+00 -2.130570599e+00 -2.426567339e+00 3.44 -1.316250825e+00 -2.072358389e+00 -2.363783373e+00 3.46 -1.271561558e+00 -2.014977636e+00 -2.301455513e+00 3.48 -1.228104797e+00 -1.958467459e+00 -2.239699053e+00 3.50 -1.185849890e+00 -1.902865486e+00 -2.178634512e+00 3.52 -1.144770262e+00 -1.848208040e+00 -2.118384806e+00 3.54 -1.104834104e+00 -1.794522860e+00 -2.059065117e+00 3.56 -1.066009736e+00 -1.741836932e+00 -2.000787870e+00 3.58 -1.028260039e+00 -1.690168432e+00 -1.943647939e+00 3.60 -9.915454855e-01 -1.639532016e+00 -1.887726797e+00 3.62 -9.558275210e-01 -1.589935559e+00 -1.833083496e+00 3.64 -9.210598894e-01 -1.541382367e+00 -1.779759145e+00 3.66 -8.871980006e-01 -1.493871095e+00 -1.727774335e+00 3.68 -8.541917612e-01 -1.447397704e+00 -1.677132875e+00 3.70 -8.219921042e-01 -1.401954881e+00 -1.627823128e+00 3.72 -7.905469179e-01 -1.357535692e+00 -1.579823461e+00 3.74 -7.598040192e-01 -1.314131410e+00 -1.533096697e+00 3.76 -7.297122214e-01 -1.271736162e+00 -1.487619936e+00 3.78 -7.002225926e-01 -1.230343778e+00 -1.443345929e+00 3.80 -6.712898096e-01 -1.189952747e+00 -1.400235106e+00 3.82 -6.428739771e-01 -1.150559464e+00 -1.358244153e+00 3.84 -6.149445079e-01 -1.112166031e+00 -1.317336062e+00 3.86 -5.874787520e-01 -1.074769784e+00 -1.277469527e+00 3.88 -5.604695387e-01 -1.038371144e+00 -1.238611667e+00 3.90 -5.339204798e-01 -1.002963358e+00 -1.200726278e+00 3.92 -5.078530160e-01 -9.685378509e-01 -1.163783828e+00 3.94 -4.823018273e-01 -9.350786734e-01 -1.127754671e+00 3.96 -4.573163471e-01 -9.025622444e-01 -1.092612680e+00 3.98 -4.329572772e-01 -8.709689960e-01 -1.058332542e+00 4.00 -4.092939612e-01 -8.402629196e-01 -1.024891243e+00 4.02 -3.864002017e-01 -8.104071779e-01 -9.922658959e-01 4.04 -3.643482308e-01 -7.813618678e-01 -9.604336230e-01 4.06 -3.432059630e-01 -7.530870841e-01 -9.293748335e-01 4.08 -3.230305079e-01 -7.255391867e-01 -8.990646686e-01 4.10 -3.038659885e-01 -6.986785656e-01 -8.694822288e-01 4.12 -2.857395507e-01 -6.724666158e-01 -8.406049298e-01 4.14 -2.686600484e-01 -6.468673543e-01 -8.124082024e-01 4.16 -2.526187213e-01 -6.218499843e-01 -7.848680710e-01 4.18 -2.375895772e-01 -5.973890777e-01 -7.579610532e-01 4.20 -2.235319186e-01 -5.734669582e-01 -7.316636357e-01 4.22 -2.103926072e-01 -5.500701551e-01 -7.059527158e-01 4.24 -1.981105946e-01 -5.271954700e-01 -6.808077808e-01 4.26 -1.866195838e-01 -5.048468116e-01 -6.562102433e-01 4.28 -1.758521201e-01 -4.830340672e-01 -6.321438155e-01 4.30 -1.657422426e-01 -4.617746015e-01 -6.085971426e-01 4.32 -1.562280074e-01 -4.410904639e-01 -5.855636260e-01 4.34 -1.472536965e-01 -4.210078722e-01 -5.630415083e-01 4.36 -1.387702545e-01 -4.015536087e-01 -5.410327736e-01 4.38 -1.307369961e-01 -3.827548913e-01 -5.195468521e-01 4.40 -1.231207531e-01 -3.646364131e-01 -4.985966534e-01 4.42 -1.158957361e-01 -3.472177905e-01 -4.781962105e-01 4.44 -1.090424128e-01 -3.305140156e-01 -4.583630309e-01 4.46 -1.025466202e-01 -3.145330074e-01 -4.391139300e-01 4.48 -9.639748145e-02 -2.992740618e-01 -4.204623231e-01 4.50 -9.058660263e-02 -2.847297273e-01 -4.024192635e-01 4.52 -8.510624904e-02 -2.708838981e-01 -3.849883164e-01 4.54 -7.994807519e-02 -2.577137802e-01 -3.681671230e-01 4.56 -7.510245547e-02 -2.451887655e-01 -3.519444098e-01 4.58 -7.055761927e-02 -2.332736033e-01 -3.363010885e-01 4.60 -6.629973172e-02 -2.219280924e-01 -3.212165032e-01 4.62 -6.231281484e-02 -2.111096890e-01 -3.066585325e-01 4.64 -5.857883522e-02 -2.007728282e-01 -2.925908590e-01 4.66 -5.507868648e-02 -1.908726038e-01 -2.789755660e-01 4.68 -5.179237526e-02 -1.813647089e-01 -2.657729281e-01 4.70 -4.869979886e-02 -1.722063719e-01 -2.529427477e-01 4.72 -4.578116175e-02 -1.633576041e-01 -2.404463761e-01 4.74 -4.301769531e-02 -1.547826365e-01 -2.282488032e-01 4.76 -4.039205337e-02 -1.464494050e-01 -2.163181763e-01 4.78 -3.788867377e-02 -1.383309299e-01 -2.046279988e-01 4.80 -3.549395308e-02 -1.304057469e-01 -1.931579949e-01 4.82 -3.319639636e-02 -1.226581038e-01 -1.818946634e-01 4.84 -3.098666897e-02 -1.150778380e-01 -1.708314496e-01 4.86 -2.885773222e-02 -1.076611227e-01 -1.599700466e-01 4.88 -2.680492312e-02 -1.004104816e-01 -1.493205512e-01 4.90 -2.482537346e-02 -9.333306199e-02 -1.388988915e-01 4.92 -2.291830924e-02 -8.644169602e-02 -1.287287234e-01 4.94 -2.108453397e-02 -7.975335301e-02 -1.188392950e-01 4.96 -1.932611899e-02 -7.328809357e-02 -1.092639537e-01 4.98 -1.764586524e-02 -6.706767438e-02 -1.000380980e-01 5.00 -1.604714122e-02 -6.111472448e-02 -9.119804988e-02 5.02 -1.453369250e-02 -5.545102639e-02 -8.277852901e-02 5.04 -1.310884188e-02 -5.009573130e-02 -7.481004858e-02 5.06 -1.177534094e-02 -4.506490511e-02 -6.731828907e-02 5.08 -1.053503791e-02 -4.037038943e-02 -6.032240776e-02 5.10 -9.388635492e-03 -3.601893554e-02 -5.383376422e-02 5.12 -8.335653538e-03 -3.201203399e-02 -4.785588721e-02 5.14 -7.374468288e-03 -2.834623721e-02 -4.238477659e-02 5.16 -6.502376221e-03 -2.501381247e-02 -3.740938290e-02 5.18 -5.715612602e-03 -2.200246104e-02 -3.291179242e-02 5.20 -5.009707496e-03 -1.929674503e-02 -2.886936945e-02 5.22 -4.379569964e-03 -1.687842063e-02 -2.525524728e-02 5.24 -3.819717632e-03 -1.472723710e-02 -2.203941782e-02 5.26 -3.324441864e-03 -1.282227044e-02 -1.919089850e-02 5.28 -2.885348435e-03 -1.114237386e-02 -1.667831122e-02 5.30 -2.502566503e-03 -9.666424025e-03 -1.447016773e-02 5.32 -2.167520737e-03 -8.373881917e-03 -1.253600681e-02 5.34 -1.875087997e-03 -7.245266332e-03 -1.084687763e-02 5.36 -1.620478157e-03 -6.262295627e-03 -9.375552758e-03 5.38 -1.399283118e-03 -5.408093318e-03 -8.096859293e-03 5.40 -1.207466027e-03 -4.667173081e-03 -6.987672208e-03 5.42 -1.041396637e-03 -4.025586125e-03 -6.027146718e-03 5.44 -8.978148792e-04 -3.470790347e-03 -5.196529681e-03 5.46 -7.738139195e-04 -2.991590737e-03 -4.479075397e-03 5.48 -6.668219661e-04 -2.578075887e-03 -3.859953869e-03 5.50 -5.745763964e-04 -2.221521119e-03 -3.326108295e-03 5.52 -4.950947772e-04 -1.914277583e-03 -2.866090030e-03 5.54 -4.266375286e-04 -1.649631262e-03 -2.469848625e-03 5.56 -3.676975254e-04 -1.421763667e-03 -2.128673567e-03 5.58 -3.169626725e-04 -1.225607821e-03 -1.834978983e-03 5.60 -2.732939705e-04 -1.054774868e-03 -1.582177367e-03 5.62 -2.357093813e-04 -9.097219973e-04 -1.364588969e-03 5.64 -2.033595567e-04 -7.848672831e-04 -1.177299972e-03 5.66 -1.755123918e-04 -6.773870366e-04 -1.016074345e-03 5.68 -1.515364289e-04 -5.848456154e-04 -8.772582337e-04 5.70 -1.308896232e-04 -5.051518431e-04 -7.577145699e-04 5.72 -1.131048644e-04 -4.365036100e-04 -6.547399542e-04 5.74 -9.778023891e-05 -3.773501162e-04 -5.660080070e-04 5.76 -8.457118049e-05 -3.263618323e-04 -4.895242970e-04 5.78 -7.318181402e-05 -2.823969967e-04 -4.235760779e-04 5.80 -6.221461026e-05 -2.444710438e-04 -3.666864225e-04 5.82 -5.388796156e-05 -2.117428917e-04 -3.175936487e-04 5.84 -4.669927977e-05 -1.834865377e-04 -2.752087073e-04 5.86 -4.049054028e-05 -1.590811126e-04 -2.386002612e-04 5.88 -3.512546556e-05 -1.379911737e-04 -2.069651207e-04 5.90 -3.048755295e-05 -1.197589655e-04 -1.796166338e-04 5.92 -2.647620534e-05 -1.039892356e-04 -1.559619074e-04 5.94 -2.300490380e-05 -9.034202476e-05 -1.354909921e-04 5.96 -1.999972985e-05 -7.852687237e-05 -1.177681888e-04 5.98 -1.739666155e-05 -6.829221345e-05 -1.024161441e-04 6.00 -1.514077178e-05 -5.942220365e-05 -8.911108681e-05