# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuPd3 # 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 9.767250823e+02 nan nan 0.92 8.897681314e+02 nan nan 0.94 8.113862733e+02 nan nan 0.96 7.406257844e+02 nan nan 0.98 6.766519772e+02 9.816800513e+02 nan 1.00 6.187330807e+02 9.009954566e+02 1.015720446e+03 1.02 5.662252678e+02 8.276614134e+02 9.341451672e+02 1.04 5.185620131e+02 7.609212550e+02 8.598424976e+02 1.06 4.752432606e+02 7.001069004e+02 7.920788564e+02 1.08 4.358264663e+02 6.446264192e+02 7.302050515e+02 1.10 3.999186163e+02 5.939535511e+02 6.736438260e+02 1.12 3.671717124e+02 5.476211287e+02 6.218822575e+02 1.14 3.372761723e+02 5.052125385e+02 5.744625573e+02 1.16 3.099559090e+02 4.663556224e+02 5.309762771e+02 1.18 2.849647072e+02 4.307179555e+02 4.910579709e+02 1.20 2.620824924e+02 3.980019865e+02 4.543798983e+02 1.22 2.411124829e+02 3.679405530e+02 4.206483096e+02 1.24 2.218780888e+02 3.402933114e+02 3.895990409e+02 1.26 2.042207516e+02 3.148447080e+02 3.609940659e+02 1.28 1.879980071e+02 2.914007370e+02 3.346191911e+02 1.30 1.730817257e+02 2.697863144e+02 3.102813424e+02 1.32 1.593561236e+02 2.498429131e+02 2.878057217e+02 1.34 1.467170454e+02 2.314275832e+02 2.670342512e+02 1.36 1.350702529e+02 2.144110228e+02 2.478238829e+02 1.38 1.243308494e+02 1.986761212e+02 2.300450042e+02 1.40 1.144215550e+02 1.841166156e+02 2.135796591e+02 1.42 1.052725354e+02 1.706358365e+02 1.983207707e+02 1.44 9.682038332e+01 1.581459008e+02 1.841710008e+02 1.46 8.900739635e+01 1.465669034e+02 1.710417089e+02 1.48 8.178139332e+01 1.358260613e+02 1.588521889e+02 1.50 7.509449703e+01 1.258571726e+02 1.475284523e+02 1.52 6.890334027e+01 1.165997172e+02 1.370030735e+02 1.54 6.316829425e+01 1.079984298e+02 1.272144746e+02 1.56 5.785323668e+01 1.000026456e+02 1.181063017e+02 1.58 5.292509037e+01 9.256592510e+01 1.096271540e+02 1.60 4.835390183e+01 8.564582525e+01 1.017297913e+02 1.62 4.411177029e+01 7.920352065e+01 9.437087693e+01 1.64 4.017339203e+01 7.320332316e+01 8.751048372e+01 1.66 3.651688354e+01 6.761259040e+01 8.111206503e+01 1.68 3.311967649e+01 6.240127240e+01 7.514197608e+01 1.70 2.996347752e+01 5.754170794e+01 6.956917416e+01 1.72 2.704212484e+01 5.300843455e+01 6.436528650e+01 1.74 2.433716769e+01 4.877797590e+01 5.950405551e+01 1.76 2.183447583e+01 4.482870655e+01 5.496126571e+01 1.78 1.952053011e+01 4.114070758e+01 5.071458897e+01 1.80 1.738278802e+01 3.769546017e+01 4.674324144e+01 1.82 1.540952142e+01 3.447762873e+01 4.302812859e+01 1.84 1.358970146e+01 3.146801257e+01 3.955162488e+01 1.86 1.191301095e+01 2.866401615e+01 3.629871382e+01 1.88 1.036972361e+01 2.605106150e+01 3.325274332e+01 1.90 8.950682955e+00 2.361743386e+01 3.040090802e+01 1.92 7.647487481e+00 2.135225643e+01 2.774052307e+01 1.94 6.452100427e+00 1.924520503e+01 2.525727646e+01 1.96 5.356867826e+00 1.728655436e+01 2.294064564e+01 1.98 4.354934083e+00 1.546713585e+01 2.078069984e+01 2.00 3.439691142e+00 1.377830452e+01 1.876806144e+01 2.02 2.605027262e+00 1.221193600e+01 1.689377447e+01 2.04 1.845207089e+00 1.076037773e+01 1.514942030e+01 2.06 1.154861352e+00 9.416354813e+00 1.352715432e+01 2.08 5.288085704e-01 8.172964380e+00 1.201956812e+01 2.10 -3.751376325e-02 7.023906177e+00 1.061966098e+01 2.12 -5.484874619e-01 5.962959500e+00 9.320770359e+00 2.14 -1.008130494e+00 4.984510463e+00 8.116745291e+00 2.16 -1.420172612e+00 4.083280111e+00 7.001716379e+00 2.18 -1.787632325e+00 3.254266760e+00 5.970031535e+00 2.20 -2.114641321e+00 2.492792263e+00 5.016544445e+00 2.22 -2.404343124e+00 1.794361875e+00 4.136357084e+00 2.24 -2.659666792e+00 1.154840095e+00 3.324830829e+00 2.26 -2.883349825e+00 5.703231381e-01 2.577593721e+00 2.28 -3.078330946e+00 3.711847024e-02 1.890509609e+00 2.30 -3.246572552e+00 -4.482935569e-01 1.259702202e+00 2.32 -3.390401661e+00 -8.892245879e-01 6.815230806e-01 2.34 -3.511995372e+00 -1.288537928e+00 1.525312106e-01 2.36 -3.612995376e+00 -1.648632932e+00 -3.305139272e-01 2.38 -3.695355106e+00 -1.972500353e+00 -7.709797050e-01 2.40 -3.760714771e+00 -2.262963332e+00 -1.171725034e+00 2.42 -3.809785387e+00 -2.522443335e+00 -1.534693927e+00 2.44 -3.844540130e+00 -2.753156743e+00 -1.862477939e+00 2.46 -3.866329910e+00 -2.957197563e+00 -2.157857453e+00 2.48 -3.876343440e+00 -3.136532632e+00 -2.423070675e+00 2.50 -3.875701582e+00 -3.293004021e+00 -2.660362266e+00 2.52 -3.865441983e+00 -3.428336307e+00 -2.871579006e+00 2.54 -3.846524713e+00 -3.544143442e+00 -3.058564661e+00 2.56 -3.819837543e+00 -3.641935274e+00 -3.223061051e+00 2.58 -3.786200877e+00 -3.723123905e+00 -3.366702334e+00 2.60 -3.746372364e+00 -3.788942473e+00 -3.491021149e+00 2.62 -3.701051198e+00 -3.840559281e+00 -3.597454437e+00 2.64 -3.650882599e+00 -3.878757917e+00 -3.687349545e+00 2.66 -3.596724600e+00 -3.905311185e+00 -3.762309328e+00 2.68 -3.539099134e+00 -3.921310023e+00 -3.823408840e+00 2.70 -3.478244888e+00 -3.927444191e+00 -3.871232089e+00 2.72 -3.414622733e+00 -3.924584239e+00 -3.906634035e+00 2.74 -3.348661418e+00 -3.913543099e+00 -3.931059223e+00 2.76 -3.280770706e+00 -3.895066548e+00 -3.945410101e+00 2.78 -3.210052807e+00 -3.870961116e+00 -3.950563009e+00 2.80 -3.136789225e+00 -3.841464379e+00 -3.947365615e+00 2.82 -3.062709708e+00 -3.806452158e+00 -3.936469780e+00 2.84 -2.988619488e+00 -3.766487974e+00 -3.918565534e+00 2.86 -2.915199011e+00 -3.722097815e+00 -3.894296737e+00 2.88 -2.841574570e+00 -3.673770383e+00 -3.864263863e+00 2.90 -2.767954616e+00 -3.621981838e+00 -3.829026619e+00 2.92 -2.694520463e+00 -3.567376136e+00 -3.789106398e+00 2.94 -2.621446306e+00 -3.510076963e+00 -3.744988604e+00 2.96 -2.549240010e+00 -3.450446701e+00 -3.697124846e+00 2.98 -2.477654074e+00 -3.388817538e+00 -3.645934979e+00 3.00 -2.406796876e+00 -3.325461703e+00 -3.591809075e+00 3.02 -2.336772631e+00 -3.259968699e+00 -3.535109209e+00 3.04 -2.267673424e+00 -3.192045312e+00 -3.476170922e+00 3.06 -2.199579981e+00 -3.123036283e+00 -3.415359765e+00 3.08 -2.132576200e+00 -3.053478964e+00 -3.354708799e+00 3.10 -2.066875906e+00 -2.983568504e+00 -3.292593370e+00 3.12 -2.002349790e+00 -2.913487464e+00 -3.227290293e+00 3.14 -1.939043966e+00 -2.843400647e+00 -3.160839951e+00 3.16 -1.876995890e+00 -2.773457869e+00 -3.093743603e+00 3.18 -1.816237294e+00 -2.703795009e+00 -3.026184142e+00 3.20 -1.756790422e+00 -2.634534997e+00 -2.958334119e+00 3.22 -1.698788138e+00 -2.565788733e+00 -2.890606885e+00 3.24 -1.642152752e+00 -2.497638844e+00 -2.822939368e+00 3.26 -1.586863620e+00 -2.431061701e+00 -2.755404124e+00 3.28 -1.532934955e+00 -2.365513785e+00 -2.688124578e+00 3.30 -1.480370234e+00 -2.300759018e+00 -2.621212933e+00 3.32 -1.429148102e+00 -2.236861849e+00 -2.554770913e+00 3.34 -1.379266146e+00 -2.173880425e+00 -2.488890483e+00 3.36 -1.330724122e+00 -2.111865629e+00 -2.423654428e+00 3.38 -1.283402148e+00 -2.050861926e+00 -2.359137162e+00 3.40 -1.237168012e+00 -1.990919422e+00 -2.295405153e+00 3.42 -1.191983266e+00 -1.932225082e+00 -2.232517308e+00 3.44 -1.147954573e+00 -1.874629877e+00 -2.170526158e+00 3.46 -1.105181646e+00 -1.818157419e+00 -2.109477363e+00 3.48 -1.063721749e+00 -1.762825449e+00 -2.049411024e+00 3.50 -1.023539006e+00 -1.708649324e+00 -1.990361765e+00 3.52 -9.846056593e-01 -1.655637432e+00 -1.932358861e+00 3.54 -9.468809776e-01 -1.603799232e+00 -1.875427415e+00 3.56 -9.103302978e-01 -1.553140186e+00 -1.819587627e+00 3.58 -8.749283531e-01 -1.503662979e+00 -1.764856170e+00 3.60 -8.406607669e-01 -1.455359772e+00 -1.711245916e+00 3.62 -8.075138431e-01 -1.408221286e+00 -1.658765803e+00 3.64 -7.754285342e-01 -1.362231242e+00 -1.607419395e+00 3.66 -7.443438766e-01 -1.317349954e+00 -1.557217500e+00 3.68 -7.142120198e-01 -1.273480923e+00 -1.508165446e+00 3.70 -6.850695790e-01 -1.230556883e+00 -1.460245847e+00 3.72 -6.569555808e-01 -1.188578570e+00 -1.413451078e+00 3.74 -6.298938110e-01 -1.147625582e+00 -1.367779552e+00 3.76 -6.038954594e-01 -1.107762765e+00 -1.323598485e+00 3.78 -5.789946308e-01 -1.069023550e+00 -1.280594621e+00 3.80 -5.552027420e-01 -1.031389832e+00 -1.238458376e+00 3.82 -5.324636438e-01 -9.948376933e-01 -1.197199694e+00 3.84 -5.105956704e-01 -9.593425033e-01 -1.156905483e+00 3.86 -4.894203341e-01 -9.248686314e-01 -1.117646277e+00 3.88 -4.688056987e-01 -8.913952405e-01 -1.079464419e+00 3.90 -4.486570091e-01 -8.589079650e-01 -1.042332902e+00 3.92 -4.289089149e-01 -8.273958375e-01 -1.006229229e+00 3.94 -4.095190402e-01 -7.968478392e-01 -9.712267338e-01 3.96 -3.904626961e-01 -7.672004713e-01 -9.372216178e-01 3.98 -3.717285549e-01 -7.383898313e-01 -9.041685303e-01 4.00 -3.533123141e-01 -7.104026251e-01 -8.720550839e-01 4.02 -3.351889178e-01 -6.832746921e-01 -8.408721945e-01 4.04 -3.173811221e-01 -6.570366369e-01 -8.106107332e-01 4.06 -2.999149101e-01 -6.317078351e-01 -7.812480150e-01 4.08 -2.828809421e-01 -6.072982459e-01 -7.527047946e-01 4.10 -2.663509951e-01 -5.838117169e-01 -7.249308661e-01 4.12 -2.503771238e-01 -5.613138302e-01 -6.979610336e-01 4.14 -2.349952074e-01 -5.397789536e-01 -6.718299594e-01 4.16 -2.202279344e-01 -5.190683299e-01 -6.465611712e-01 4.18 -2.060873077e-01 -4.990200203e-01 -6.221687769e-01 4.20 -1.925767412e-01 -4.795104189e-01 -5.986589567e-01 4.22 -1.796928120e-01 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-4.657410816e-02 -1.757623144e-01 -2.576034748e-01 4.60 -4.266038407e-02 -1.648843476e-01 -2.433043875e-01 4.62 -3.896398227e-02 -1.550600065e-01 -2.295124899e-01 4.64 -3.547306796e-02 -1.456723331e-01 -2.162413343e-01 4.66 -3.217639800e-02 -1.367282887e-01 -2.034976388e-01 4.68 -2.906330163e-02 -1.282133019e-01 -1.912825312e-01 4.70 -2.612365988e-02 -1.201121197e-01 -1.795926046e-01 4.72 -2.335105735e-02 -1.124091287e-01 -1.684208123e-01 4.74 -2.075598747e-02 -1.050885497e-01 -1.577572238e-01 4.76 -1.911390896e-02 -9.813459665e-02 -1.475896612e-01 4.78 -1.760172555e-02 -9.153160415e-02 -1.379042326e-01 4.80 -1.617586991e-02 -8.526104653e-02 -1.286857796e-01 4.82 -1.482813631e-02 -7.940224668e-02 -1.199182473e-01 4.84 -1.355429692e-02 -7.387878822e-02 -1.115849931e-01 4.86 -1.235034680e-02 -6.863799371e-02 -1.036690405e-01 4.88 -1.121249290e-02 -6.366653677e-02 -9.615328556e-02 4.90 -1.013714366e-02 -5.895153935e-02 -8.902066583e-02 4.92 -9.120898805e-03 -5.448058762e-02 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