# 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 = Ag3Au # 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 5.877198947e+02 nan nan 1.02 5.390419935e+02 nan nan 1.04 4.946578855e+02 nan nan 1.06 4.541475853e+02 nan nan 1.08 4.171369794e+02 nan nan 1.10 3.832916098e+02 5.653538864e+02 nan 1.12 3.523128759e+02 5.222604391e+02 5.911396764e+02 1.14 3.239346533e+02 4.826609388e+02 5.471621638e+02 1.16 2.979203105e+02 4.462422421e+02 5.066685811e+02 1.18 2.740575241e+02 4.127203203e+02 4.693508031e+02 1.20 2.521543012e+02 3.818384386e+02 4.349320721e+02 1.22 2.320365595e+02 3.533653216e+02 4.031638085e+02 1.24 2.135474476e+02 3.270933090e+02 3.738218890e+02 1.26 1.965451602e+02 3.028366131e+02 3.467039366e+02 1.28 1.809016265e+02 2.804284866e+02 3.216270219e+02 1.30 1.665007249e+02 2.597178645e+02 2.984241218e+02 1.32 1.532372750e+02 2.405669089e+02 2.769429963e+02 1.34 1.410160110e+02 2.228495982e+02 2.570448555e+02 1.36 1.297504104e+02 2.064508613e+02 2.386032337e+02 1.38 1.193616461e+02 1.912656697e+02 2.215026540e+02 1.40 1.097779910e+02 1.771979692e+02 2.056378458e+02 1.42 1.009341446e+02 1.641599720e+02 1.909132005e+02 1.44 9.277066521e+01 1.520713489e+02 1.772420562e+02 1.46 8.523293704e+01 1.408583202e+02 1.645450567e+02 1.48 7.827071757e+01 1.304539040e+02 1.527498083e+02 1.50 7.183788317e+01 1.207969853e+02 1.417889281e+02 1.52 6.589234949e+01 1.118317042e+02 1.315998055e+02 1.54 6.039585281e+01 1.035070636e+02 1.221248296e+02 1.56 5.531344704e+01 9.577567627e+01 1.133106261e+02 1.58 5.061299913e+01 8.859358776e+01 1.051082936e+02 1.60 4.626501071e+01 8.192006650e+01 9.747297175e+01 1.62 4.224220555e+01 7.571725557e+01 9.036325874e+01 1.64 3.851947060e+01 6.995030191e+01 8.374125215e+01 1.66 3.507375262e+01 6.458694796e+01 7.757193487e+01 1.68 3.188394034e+01 5.959740110e+01 7.182307445e+01 1.70 2.893073859e+01 5.495432216e+01 6.646516470e+01 1.72 2.619879844e+01 5.063252839e+01 6.147096330e+01 1.74 2.367792562e+01 4.660886638e+01 5.681535144e+01 1.76 2.135447063e+01 4.286200202e+01 5.247499421e+01 1.78 1.921565573e+01 3.937224889e+01 4.842816686e+01 1.80 1.724713861e+01 3.612138674e+01 4.465454485e+01 1.82 1.543557703e+01 3.309262671e+01 4.113518011e+01 1.84 1.376859690e+01 3.027045787e+01 3.785234890e+01 1.86 1.223483203e+01 2.764066181e+01 3.478963331e+01 1.88 1.082386901e+01 2.519422806e+01 3.193165382e+01 1.90 9.526256832e+00 2.292238308e+01 2.926415315e+01 1.92 8.333395232e+00 2.081516484e+01 2.677417222e+01 1.94 7.237482076e+00 1.886289969e+01 2.445469738e+01 1.96 6.231389839e+00 1.705482904e+01 2.229620079e+01 1.98 5.308591677e+00 1.538087734e+01 2.029024194e+01 2.00 4.463082011e+00 1.383157711e+01 1.842686343e+01 2.02 3.689326326e+00 1.239807929e+01 1.669625886e+01 2.04 2.982212083e+00 1.107216034e+01 1.508935407e+01 2.06 2.336979310e+00 9.846178006e+00 1.359772778e+01 2.08 1.749170178e+00 8.712999738e+00 1.221352847e+01 2.10 1.214585272e+00 7.666022414e+00 1.092955795e+01 2.12 7.292292299e-01 6.699082060e+00 9.739147180e+00 2.14 2.892993847e-01 5.806448746e+00 8.636166199e+00 2.16 -1.088358620e-01 4.982787441e+00 7.614942649e+00 2.18 -4.686212131e-01 4.223126332e+00 6.670172628e+00 2.20 -7.932973865e-01 3.522900269e+00 5.796908103e+00 2.22 -1.085884220e+00 2.877854028e+00 4.990387850e+00 2.24 -1.349146887e+00 2.284123846e+00 4.246120954e+00 2.26 -1.585600639e+00 1.738130906e+00 3.559757363e+00 2.28 -1.797496451e+00 1.236629915e+00 2.927211413e+00 2.30 -1.986849831e+00 7.766176994e-01 2.344600738e+00 2.32 -2.155452647e+00 3.553463915e-01 1.808356125e+00 2.34 -2.304909629e+00 -2.974494446e-02 1.315150181e+00 2.36 -2.436668503e+00 -3.810306137e-01 8.619442659e-01 2.38 -2.552064424e+00 -7.007399156e-01 4.459376636e-01 2.40 -2.652392577e+00 -9.909711464e-01 6.454381083e-02 2.42 -2.738696334e+00 -1.253711049e+00 -2.846402312e-01 2.44 -2.811955508e+00 -1.490848761e+00 -6.038640197e-01 2.46 -2.873109556e+00 -1.704180494e+00 -8.952358929e-01 2.48 -2.923066702e+00 -1.895422216e+00 -1.160759981e+00 2.50 -2.962701267e+00 -2.066215971e+00 -1.402319759e+00 2.52 -2.992845312e+00 -2.218123981e+00 -1.621681329e+00 2.54 -3.014279497e+00 -2.352659258e+00 -1.820500453e+00 2.56 -3.027723553e+00 -2.471256398e+00 -2.000288905e+00 2.58 -3.033955465e+00 -2.575300588e+00 -2.162429630e+00 2.60 -3.033858827e+00 -2.666174450e+00 -2.308165533e+00 2.62 -3.027642968e+00 -2.745153391e+00 -2.438608173e+00 2.64 -3.015533087e+00 -2.813324164e+00 -2.554764048e+00 2.66 -2.997836363e+00 -2.871683787e+00 -2.657539212e+00 2.68 -2.974934352e+00 -2.921131806e+00 -2.747816195e+00 2.70 -2.947266735e+00 -2.962447000e+00 -2.826367089e+00 2.72 -2.915311400e+00 -2.996295753e+00 -2.893832930e+00 2.74 -2.879584315e+00 -3.023243863e+00 -2.950835969e+00 2.76 -2.840608167e+00 -3.043770079e+00 -2.997987810e+00 2.78 -2.798879483e+00 -3.058288685e+00 -3.035901594e+00 2.80 -2.754847452e+00 -3.067257787e+00 -3.065201942e+00 2.82 -2.708917051e+00 -3.071145719e+00 -3.086533609e+00 2.84 -2.661444006e+00 -3.070193163e+00 -3.100566266e+00 2.86 -2.612745016e+00 -3.064436363e+00 -3.107986441e+00 2.88 -2.563085330e+00 -3.053965582e+00 -3.109522976e+00 2.90 -2.512694262e+00 -3.038912030e+00 -3.106173531e+00 2.92 -2.461770474e+00 -3.019443920e+00 -3.098434041e+00 2.94 -2.410478688e+00 -2.995761972e+00 -3.086629938e+00 2.96 -2.358957920e+00 -2.968100109e+00 -3.071093628e+00 2.98 -2.307324412e+00 -2.936733198e+00 -3.052137681e+00 3.00 -2.255675267e+00 -2.901979516e+00 -3.030037128e+00 3.02 -2.204092492e+00 -2.864190071e+00 -3.005031796e+00 3.04 -2.152644931e+00 -2.823735851e+00 -2.977324131e+00 3.06 -2.101393753e+00 -2.781004312e+00 -2.947102324e+00 3.08 -2.050394023e+00 -2.736384596e+00 -2.914549595e+00 3.10 -1.999696705e+00 -2.690252025e+00 -2.879834803e+00 3.12 -1.949351487e+00 -2.642955124e+00 -2.843117245e+00 3.14 -1.899407646e+00 -2.594800506e+00 -2.804551986e+00 3.16 -1.849914584e+00 -2.546045707e+00 -2.764290615e+00 3.18 -1.800921690e+00 -2.496897951e+00 -2.722483776e+00 3.20 -1.752477581e+00 -2.447515813e+00 -2.679278553e+00 3.22 -1.704632013e+00 -2.398018918e+00 -2.634820471e+00 3.24 -1.657429254e+00 -2.348492843e+00 -2.589247145e+00 3.26 -1.610917246e+00 -2.299008526e+00 -2.542700476e+00 3.28 -1.565133614e+00 -2.249615901e+00 -2.495307935e+00 3.30 -1.520113228e+00 -2.200358638e+00 -2.447191880e+00 3.32 -1.475885495e+00 -2.151278996e+00 -2.398470675e+00 3.34 -1.432473615e+00 -2.102418973e+00 -2.349256330e+00 3.36 -1.389895295e+00 -2.053822050e+00 -2.299655994e+00 3.38 -1.348163073e+00 -2.005527461e+00 -2.249774615e+00 3.40 -1.307284719e+00 -1.957600610e+00 -2.199713589e+00 3.42 -1.267264216e+00 -1.910083847e+00 -2.149577414e+00 3.44 -1.228103406e+00 -1.863027696e+00 -2.099469219e+00 3.46 -1.189796515e+00 -1.816484646e+00 -2.049498973e+00 3.48 -1.152352072e+00 -1.770504344e+00 -1.999778721e+00 3.50 -1.115761601e+00 -1.725133809e+00 -1.950424629e+00 3.52 -1.080021828e+00 -1.680416868e+00 -1.901554453e+00 3.54 -1.045130027e+00 -1.636392464e+00 -1.853283800e+00 3.56 -1.011081503e+00 -1.593095148e+00 -1.805722828e+00 3.58 -9.778709335e-01 -1.550552635e+00 -1.758968995e+00 3.60 -9.454889383e-01 -1.508788087e+00 -1.713104978e+00 3.62 -9.139321622e-01 -1.467817915e+00 -1.668195082e+00 3.64 -8.831860021e-01 -1.427652942e+00 -1.624280062e+00 3.66 -8.532380443e-01 -1.388298253e+00 -1.581382478e+00 3.68 -8.240701758e-01 -1.349753870e+00 -1.539504668e+00 3.70 -7.956647024e-01 -1.312014585e+00 -1.498632225e+00 3.72 -7.679985331e-01 -1.275071687e+00 -1.458738505e+00 3.74 -7.410460016e-01 -1.238910967e+00 -1.419777787e+00 3.76 -7.147826254e-01 -1.203517470e+00 -1.381728210e+00 3.78 -6.891772859e-01 -1.168871762e+00 -1.344533676e+00 3.80 -6.642005223e-01 -1.134954996e+00 -1.308151992e+00 3.82 -6.398206467e-01 -1.101745565e+00 -1.272540285e+00 3.84 -6.160073586e-01 -1.069224517e+00 -1.237663222e+00 3.86 -5.927300101e-01 -1.037370026e+00 -1.203486517e+00 3.88 -5.699607868e-01 -1.006164632e+00 -1.169984902e+00 3.90 -5.476743976e-01 -9.755897117e-01 -1.137137245e+00 3.92 -5.258502409e-01 -9.456295312e-01 -1.104928667e+00 3.94 -5.044719455e-01 -9.162688471e-01 -1.073350241e+00 3.96 -4.835305147e-01 -8.874885552e-01 -1.042395435e+00 3.98 -4.630231158e-01 -8.592865169e-01 -1.012063693e+00 4.00 -4.429543910e-01 -8.316439917e-01 -9.823552028e-01 4.02 -4.233365156e-01 -8.045482047e-01 -9.532731200e-01 4.04 -4.041878261e-01 -7.779876427e-01 -9.248214099e-01 4.06 -3.855319216e-01 -7.519503579e-01 -8.970046186e-01 4.08 -3.673942454e-01 -7.264241358e-01 -8.698247634e-01 4.10 -3.498014546e-01 -7.013982896e-01 -8.432849962e-01 4.12 -3.327769934e-01 -6.768632197e-01 -8.173870253e-01 4.14 -3.163384317e-01 -6.528104108e-01 -7.921293675e-01 4.16 -3.004965099e-01 -6.292344174e-01 -7.675094117e-01 4.18 -2.852527936e-01 -6.061333341e-01 -7.435236296e-01 4.20 -2.705993790e-01 -5.835099972e-01 -7.201663206e-01 4.22 -2.565189919e-01 -5.613702994e-01 -6.974286303e-01 4.24 -2.429883528e-01 -5.397274257e-01 -6.753021232e-01 4.26 -2.299782393e-01 -5.185988725e-01 -6.537760387e-01 4.28 -2.174568335e-01 -4.980059172e-01 -6.328371602e-01 4.30 -2.053926606e-01 -4.779740597e-01 -6.124724841e-01 4.32 -1.937562755e-01 -4.585308924e-01 -5.926672190e-01 4.34 -1.825236178e-01 -4.397031872e-01 -5.734055347e-01 4.36 -1.716761922e-01 -4.215161967e-01 -5.546705393e-01 4.38 -1.612034494e-01 -4.039903470e-01 -5.364447729e-01 4.40 -1.511017839e-01 -3.871399541e-01 -5.187100029e-01 4.42 -1.413752023e-01 -3.709705444e-01 -5.014458875e-01 4.44 -1.320335818e-01 -3.554802248e-01 -4.846330243e-01 4.46 -1.230914342e-01 -3.406581901e-01 -4.682508202e-01 4.48 -1.145654432e-01 -3.264843973e-01 -4.522768940e-01 4.50 -1.064724389e-01 -3.129321517e-01 -4.366895756e-01 4.52 -9.882758770e-02 -2.999685234e-01 -4.214662137e-01 4.54 -9.164131893e-02 -2.875557227e-01 -4.065834059e-01 4.56 -8.491917257e-02 -2.756525570e-01 -3.920167766e-01 4.58 -7.865974393e-02 -2.642164428e-01 -3.777397279e-01 4.60 -7.285527672e-02 -2.532037922e-01 -3.637330034e-01 4.62 -6.749139186e-02 -2.425721000e-01 -3.499694840e-01 4.64 -6.254778190e-02 -2.322790782e-01 -3.364235612e-01 4.66 -5.799982943e-02 -2.222854033e-01 -3.230716481e-01 4.68 -5.381914157e-02 -2.125539964e-01 -3.098905313e-01 4.70 -4.997543430e-02 -2.030504382e-01 -2.968578094e-01 4.72 -4.643723025e-02 -1.937437501e-01 -2.839533642e-01 4.74 -4.317338931e-02 -1.846069350e-01 -2.711598055e-01 4.76 -4.015404980e-02 -1.756169475e-01 -2.584624880e-01 4.78 -3.735108091e-02 -1.667548980e-01 -2.458504376e-01 4.80 -3.473876889e-02 -1.580073372e-01 -2.333186246e-01 4.82 -3.229403252e-02 -1.493659281e-01 -2.208674333e-01 4.84 -2.999665641e-02 -1.408273854e-01 -2.085029334e-01 4.86 -2.782948095e-02 -1.323946759e-01 -1.962388500e-01 4.88 -2.577839832e-02 -1.240767507e-01 -1.840963730e-01 4.90 -2.383209665e-02 -1.158878624e-01 -1.721035353e-01 4.92 -2.198201431e-02 -1.078478099e-01 -1.602957622e-01 4.94 -2.022209110e-02 -9.998132860e-02 -1.487149548e-01 4.96 -1.854827243e-02 -9.231673177e-02 -1.374076501e-01 4.98 -1.695808737e-02 -8.488464604e-02 -1.264232990e-01 5.00 -1.545081192e-02 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