# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AuCu3 # 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 2023-05-12 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 1.582380804e+02 nan nan 0.84 1.455227848e+02 nan nan 0.86 1.339537525e+02 nan nan 0.88 1.233635910e+02 nan nan 0.90 1.136760049e+02 1.550613846e+02 nan 0.92 1.048068602e+02 1.436161932e+02 1.588084064e+02 0.94 9.667151720e+01 1.331284521e+02 1.472961954e+02 0.96 8.924928050e+01 1.234309289e+02 1.367072756e+02 0.98 8.247111429e+01 1.144764556e+02 1.269417566e+02 1.00 7.624994455e+01 1.062548854e+02 1.179378534e+02 1.02 7.046930757e+01 9.869206152e+01 1.096527431e+02 1.04 6.507900066e+01 9.170003705e+01 1.020065869e+02 1.06 6.007692029e+01 8.523691024e+01 9.495113175e+01 1.08 5.544660853e+01 7.925226438e+01 8.843092659e+01 1.10 5.118774542e+01 7.370000588e+01 8.237570360e+01 1.12 4.728068494e+01 6.854998717e+01 7.676664949e+01 1.14 4.365752867e+01 6.377499412e+01 7.157453655e+01 1.16 4.027668810e+01 5.934425905e+01 6.672863111e+01 1.18 3.714367050e+01 5.521949455e+01 6.218835442e+01 1.20 3.426676354e+01 5.137823098e+01 5.795686117e+01 1.22 3.160978207e+01 4.778045108e+01 5.404569664e+01 1.24 2.914024005e+01 4.439133632e+01 5.041577020e+01 1.26 2.684858948e+01 4.121704780e+01 4.703110097e+01 1.28 2.473156412e+01 3.827036839e+01 4.387256492e+01 1.30 2.277660991e+01 3.553532821e+01 4.091285996e+01 1.32 2.096096196e+01 3.298569165e+01 3.813798396e+01 1.34 1.926430078e+01 3.060985207e+01 3.553127079e+01 1.36 1.767339185e+01 2.839209174e+01 3.308754702e+01 1.38 1.618048299e+01 2.631084887e+01 3.081055750e+01 1.40 1.478728147e+01 2.435302937e+01 2.868611137e+01 1.42 1.350390206e+01 2.251517598e+01 2.668926210e+01 1.44 1.232834427e+01 2.080563323e+01 2.481385170e+01 1.46 1.124175086e+01 1.922906259e+01 2.305773500e+01 1.48 1.023005118e+01 1.777203189e+01 2.141413818e+01 1.50 9.280323516e+00 1.641638632e+01 1.987124317e+01 1.52 8.387414801e+00 1.515861864e+01 1.842383730e+01 1.54 7.550270153e+00 1.399648917e+01 1.706378244e+01 1.56 6.770544037e+00 1.292188038e+01 1.578230711e+01 1.58 6.044894499e+00 1.191399811e+01 1.456814808e+01 1.60 5.372447044e+00 1.095855739e+01 1.341577459e+01 1.62 4.746861248e+00 1.004628453e+01 1.233062434e+01 1.64 4.159616662e+00 9.173182889e+00 1.132034139e+01 1.66 3.608500730e+00 8.343733237e+00 1.039027386e+01 1.68 3.092036391e+00 7.565039109e+00 9.529411929e+00 1.70 2.607313925e+00 6.842242616e+00 8.724875929e+00 1.72 2.151320046e+00 6.171381085e+00 7.971100717e+00 1.74 1.720857886e+00 5.547266877e+00 7.264269075e+00 1.76 1.312716374e+00 4.963351041e+00 6.601148816e+00 1.78 9.238106833e-01 4.411191203e+00 5.978571773e+00 1.80 5.524612964e-01 3.887501448e+00 5.392186588e+00 1.82 1.990463232e-01 3.390646444e+00 4.835233066e+00 1.84 -1.357019015e-01 2.919947902e+00 4.303142877e+00 1.86 -4.507280896e-01 2.475321892e+00 3.793283101e+00 1.88 -7.461728376e-01 2.056567624e+00 3.303548249e+00 1.90 -1.023310089e+00 1.662972602e+00 2.835197866e+00 1.92 -1.281892601e+00 1.291724281e+00 2.391127095e+00 1.94 -1.520873854e+00 9.398461483e-01 1.974493597e+00 1.96 -1.739497601e+00 6.059695189e-01 1.586842563e+00 1.98 -1.939488716e+00 2.890164444e-01 1.224536132e+00 2.00 -2.123333228e+00 -1.181424728e-02 8.827325497e-01 2.02 -2.292168867e+00 -2.971011422e-01 5.593854750e-01 2.04 -2.446777752e+00 -5.674632435e-01 2.531042164e-01 2.06 -2.588181800e+00 -8.236019015e-01 -3.743868626e-02 2.08 -2.717587345e+00 -1.066825263e+00 -3.134211362e-01 2.10 -2.836134244e+00 -1.298511111e+00 -5.759173371e-01 2.12 -2.944338453e+00 -1.519465232e+00 -8.247938390e-01 2.14 -3.042352314e+00 -1.730014697e+00 -1.059194933e+00 2.16 -3.130317575e+00 -1.930232723e+00 -1.278248709e+00 2.18 -3.208385759e+00 -2.120141870e+00 -1.481108381e+00 2.20 -3.277481061e+00 -2.299731856e+00 -1.668484001e+00 2.22 -3.339614117e+00 -2.468271419e+00 -1.843440363e+00 2.24 -3.396445319e+00 -2.624427380e+00 -2.008565477e+00 2.26 -3.447864720e+00 -2.766301570e+00 -2.164991266e+00 2.28 -3.492509373e+00 -2.892148473e+00 -2.313697245e+00 2.30 -3.528802170e+00 -3.002630331e+00 -2.455436621e+00 2.32 -3.554747716e+00 -3.100498808e+00 -2.590130458e+00 2.34 -3.568717814e+00 -3.187496000e+00 -2.717497644e+00 2.36 -3.571887569e+00 -3.264172348e+00 -2.837179625e+00 2.38 -3.566594375e+00 -3.331094952e+00 -2.949057384e+00 2.40 -3.554266816e+00 -3.388830390e+00 -3.053754920e+00 2.42 -3.535494902e+00 -3.437944133e+00 -3.151911440e+00 2.44 -3.510884432e+00 -3.479000380e+00 -3.243210711e+00 2.46 -3.481047674e+00 -3.512561902e+00 -3.326544606e+00 2.48 -3.446548407e+00 -3.539189845e+00 -3.400769541e+00 2.50 -3.407969354e+00 -3.559443571e+00 -3.464733250e+00 2.52 -3.365916414e+00 -3.573905376e+00 -3.517368997e+00 2.54 -3.320914650e+00 -3.583221879e+00 -3.559238278e+00 2.56 -3.273474719e+00 -3.588044456e+00 -3.592385189e+00 2.58 -3.224044953e+00 -3.588650524e+00 -3.618345697e+00 2.60 -3.172933533e+00 -3.584628233e+00 -3.637460070e+00 2.62 -3.120427808e+00 -3.575487909e+00 -3.649966873e+00 2.64 -3.066808021e+00 -3.560735830e+00 -3.656104905e+00 2.66 -3.012139473e+00 -3.539873752e+00 -3.656113188e+00 2.68 -2.956199846e+00 -3.512711126e+00 -3.650230951e+00 2.70 -2.898745955e+00 -3.480483541e+00 -3.638704726e+00 2.72 -2.839533672e+00 -3.444815035e+00 -3.621833774e+00 2.74 -2.778431141e+00 -3.406786194e+00 -3.599941053e+00 2.76 -2.715677779e+00 -3.366796609e+00 -3.573349749e+00 2.78 -2.651587061e+00 -3.325199332e+00 -3.542383118e+00 2.80 -2.586469391e+00 -3.282336448e+00 -3.507364446e+00 2.82 -2.520631315e+00 -3.238270501e+00 -3.468616989e+00 2.84 -2.454374609e+00 -3.192705541e+00 -3.426463912e+00 2.86 -2.387995229e+00 -3.145319297e+00 -3.381228205e+00 2.88 -2.321782111e+00 -3.095762897e+00 -3.333232597e+00 2.90 -2.256005969e+00 -3.043695876e+00 -3.282802522e+00 2.92 -2.190859518e+00 -2.989217745e+00 -3.230284168e+00 2.94 -2.126500520e+00 -2.932614678e+00 -3.176032058e+00 2.96 -2.063101152e+00 -2.874168811e+00 -3.120391890e+00 2.98 -2.000759685e+00 -2.814157171e+00 -3.063529951e+00 3.00 -1.939491790e+00 -2.752851298e+00 -3.005436470e+00 3.02 -1.879298276e+00 -2.690516872e+00 -2.946092833e+00 3.04 -1.820166663e+00 -2.627413298e+00 -2.885478602e+00 3.06 -1.762069824e+00 -2.563793224e+00 -2.823571155e+00 3.08 -1.704964669e+00 -2.499886161e+00 -2.760351331e+00 3.10 -1.648790868e+00 -2.435865087e+00 -2.696074441e+00 3.12 -1.593483060e+00 -2.371894533e+00 -2.631379424e+00 3.14 -1.539003458e+00 -2.308154247e+00 -2.566922636e+00 3.16 -1.485289651e+00 -2.244790838e+00 -2.503137471e+00 3.18 -1.432277366e+00 -2.181910448e+00 -2.440199783e+00 3.20 -1.380006273e+00 -2.119616010e+00 -2.378267686e+00 3.22 -1.328540481e+00 -2.058008803e+00 -2.317495229e+00 3.24 -1.277966452e+00 -1.997187969e+00 -2.258013297e+00 3.26 -1.228377682e+00 -1.937249976e+00 -2.199814776e+00 3.28 -1.179867424e+00 -1.878288004e+00 -2.142829089e+00 3.30 -1.132528518e+00 -1.820392584e+00 -2.086979703e+00 3.32 -1.086453166e+00 -1.763650255e+00 -2.032159190e+00 3.34 -1.041732651e+00 -1.708105970e+00 -1.978186142e+00 3.36 -9.984570069e-01 -1.653789839e+00 -1.924970049e+00 3.38 -9.567146496e-01 -1.600724801e+00 -1.872519031e+00 3.40 -9.165918632e-01 -1.548925727e+00 -1.820835351e+00 3.42 -8.781547291e-01 -1.498398505e+00 -1.769910129e+00 3.44 -8.412789675e-01 -1.449139102e+00 -1.719722434e+00 3.46 -8.057231430e-01 -1.401132600e+00 -1.670238359e+00 3.48 -7.712391861e-01 -1.354352198e+00 -1.621410076e+00 3.50 -7.375728108e-01 -1.308758127e+00 -1.573174804e+00 3.52 -7.044625535e-01 -1.264294996e+00 -1.525453621e+00 3.54 -6.716380858e-01 -1.220880043e+00 -1.478151044e+00 3.56 -6.388414719e-01 -1.178451010e+00 -1.431190462e+00 3.58 -6.061310316e-01 -1.136988870e+00 -1.384529576e+00 3.60 -5.738028360e-01 -1.096480697e+00 -1.338134182e+00 3.62 -5.421581657e-01 -1.056943121e+00 -1.292009888e+00 3.64 -5.114114002e-01 -1.018346789e+00 -1.246171404e+00 3.66 -4.815845111e-01 -9.805858180e-01 -1.200633670e+00 3.68 -4.526752313e-01 -9.435466728e-01 -1.155411872e+00 3.70 -4.246109137e-01 -9.071134677e-01 -1.110521451e+00 3.72 -3.974130294e-01 -8.711677088e-01 -1.065978127e+00 3.74 -3.721510317e-01 -8.355876319e-01 -1.021797904e+00 3.76 -3.481927084e-01 -8.002514510e-01 -9.779971291e-01 3.78 -3.227096352e-01 -7.650636596e-01 -9.345924465e-01 3.80 -2.954248496e-01 -7.300877962e-01 -8.916009352e-01 3.82 -2.687127646e-01 -6.954547873e-01 -8.490514738e-01 3.84 -2.451116410e-01 -6.613239765e-01 -8.069980492e-01 3.86 -2.252140951e-01 -6.277237695e-01 -7.654981102e-01 3.88 -2.073096425e-01 -5.946289755e-01 -7.246096893e-01 3.90 -1.902332267e-01 -5.620791292e-01 -6.843913829e-01 3.92 -1.734106586e-01 -5.301148613e-01 -6.449023590e-01 3.94 -1.566737114e-01 -4.987811685e-01 -6.062023785e-01 3.96 -1.400993877e-01 -4.681123094e-01 -5.683519691e-01 3.98 -1.241706450e-01 -4.381589264e-01 -5.314121290e-01 4.00 -1.083577419e-01 -4.088552698e-01 -4.954426930e-01 4.02 -9.317322781e-02 -3.803036521e-01 -4.605099279e-01 4.04 -7.896443153e-02 -3.530210767e-01 -4.266813036e-01 4.06 -6.594577331e-02 -3.269649655e-01 -3.939881510e-01 4.08 -5.423248234e-02 -3.020688511e-01 -3.624907041e-01 4.10 -4.386761403e-02 -2.782075316e-01 -3.316307127e-01 4.12 -3.484337116e-02 -2.550862275e-01 -3.032223600e-01 4.14 -2.711762967e-02 -2.308340723e-01 -2.788246020e-01 4.16 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