# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Williams-P-L-Mishin-Y-Hamilton-J-C--Cu-Ag # implementation = 2006--Williams-P-L--Cu-Ag--LAMMPS--ipr1 # composition = Ag3Cu # 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 3.601993494e+02 nan nan 0.96 3.328472933e+02 nan nan 0.98 3.077340663e+02 nan nan 1.00 2.846438091e+02 nan nan 1.02 2.633720862e+02 nan nan 1.04 2.437350490e+02 3.415931720e+02 nan 1.06 2.255752160e+02 3.176993018e+02 3.531985427e+02 1.08 2.087646219e+02 2.955956581e+02 3.290850188e+02 1.10 1.931923699e+02 2.751190592e+02 3.067084756e+02 1.12 1.787618838e+02 2.561189499e+02 2.859187934e+02 1.14 1.653861382e+02 2.384645899e+02 2.665859618e+02 1.16 1.529872177e+02 2.220477964e+02 2.485938893e+02 1.18 1.414942517e+02 2.067751370e+02 2.318394713e+02 1.20 1.308408155e+02 1.925630562e+02 2.162335727e+02 1.22 1.209620289e+02 1.793337839e+02 2.016958962e+02 1.24 1.117982963e+02 1.670104677e+02 1.881496097e+02 1.26 1.032947692e+02 1.555203307e+02 1.755181401e+02 1.28 9.540141149e+01 1.447975507e+02 1.637278750e+02 1.30 8.807624791e+01 1.347853050e+02 1.527187194e+02 1.32 8.128044412e+01 1.254354357e+02 1.424392659e+02 1.34 7.497582333e+01 1.167052209e+02 1.328422386e+02 1.36 6.912547907e+01 1.085541892e+02 1.238829103e+02 1.38 6.369463323e+01 1.009448735e+02 1.155170517e+02 1.40 6.013880519e+01 9.384399930e+01 1.076997899e+02 1.42 5.684819658e+01 8.721976472e+01 1.003857212e+02 1.44 5.356155264e+01 8.103965313e+01 9.353479999e+01 1.46 5.032539056e+01 7.526944665e+01 8.711600329e+01 1.48 4.717191660e+01 6.987277927e+01 8.110407705e+01 1.50 4.411948683e+01 6.481766308e+01 7.547638306e+01 1.52 4.117554657e+01 6.079628489e+01 7.021041917e+01 1.54 3.834556311e+01 5.783321993e+01 6.528303239e+01 1.56 3.563596951e+01 5.483284937e+01 6.102184147e+01 1.58 3.305185653e+01 5.184132249e+01 5.816848319e+01 1.60 3.059596334e+01 4.889233176e+01 5.530167825e+01 1.62 2.826815276e+01 4.600975283e+01 5.245069306e+01 1.64 2.606588354e+01 4.321076345e+01 4.963548519e+01 1.66 2.398521061e+01 4.050801281e+01 4.687202251e+01 1.68 2.202173621e+01 3.791022205e+01 4.417376874e+01 1.70 2.017106838e+01 3.542218358e+01 4.155057622e+01 1.72 1.842884007e+01 3.304479882e+01 3.900999752e+01 1.74 1.679057519e+01 3.077616899e+01 3.655819894e+01 1.76 1.525156383e+01 2.861487889e+01 3.420022173e+01 1.78 1.380686921e+01 2.656010189e+01 3.193983073e+01 1.80 1.245146138e+01 2.461017166e+01 2.977930621e+01 1.82 1.118043937e+01 2.276258045e+01 2.771946295e+01 1.84 9.989237516e+00 2.101413234e+01 2.575981518e+01 1.86 8.873727307e+00 1.936113593e+01 2.389881296e+01 1.88 7.830204691e+00 1.779967630e+01 2.213419610e+01 1.90 6.855356949e+00 1.632585896e+01 2.046331088e+01 1.92 5.946272585e+00 1.493589622e+01 1.888311670e+01 1.94 5.100448102e+00 1.362603595e+01 1.739017391e+01 1.96 4.315703939e+00 1.239248290e+01 1.598071304e+01 1.98 3.589997958e+00 1.123143539e+01 1.465071974e+01 2.00 2.921225877e+00 1.013922289e+01 1.339599826e+01 2.02 2.307074146e+00 9.112476715e+00 1.221271297e+01 2.04 1.744942262e+00 8.148206593e+00 1.109768721e+01 2.06 1.231942433e+00 7.243729844e+00 1.004778733e+01 2.08 7.650819622e-01 6.396537268e+00 9.059764557e+00 2.10 3.414638011e-01 5.604168744e+00 8.130340791e+00 2.12 -4.170189379e-02 4.864115449e+00 7.256366451e+00 2.14 -3.871343152e-01 4.173781163e+00 6.434978828e+00 2.16 -6.975058353e-01 3.530524164e+00 5.663671383e+00 2.18 -9.754314999e-01 2.931756514e+00 4.940242541e+00 2.20 -1.223501056e+00 2.375039527e+00 4.262664738e+00 2.22 -1.444314191e+00 1.858148186e+00 3.628961348e+00 2.24 -1.640377644e+00 1.379100654e+00 3.037142686e+00 2.26 -1.814028949e+00 9.361361715e-01 2.485202684e+00 2.28 -1.967544169e+00 5.276569133e-01 1.971154698e+00 2.30 -2.103247726e+00 1.521545940e-01 1.493094430e+00 2.32 -2.223270620e+00 -1.918636067e-01 1.049265313e+00 2.34 -2.329051996e+00 -5.059686195e-01 6.380646425e-01 2.36 -2.421639428e+00 -7.918441388e-01 2.579984988e-01 2.38 -2.502041950e+00 -1.051273978e+00 -9.239101441e-02 2.40 -2.571245885e+00 -1.286128699e+00 -4.145881380e-01 2.42 -2.630153061e+00 -1.498340597e+00 -7.101372914e-01 2.44 -2.679482002e+00 -1.689870913e+00 -9.806446763e-01 2.46 -2.719861469e+00 -1.862553769e+00 -1.227750626e+00 2.48 -2.751888297e+00 -2.017862772e+00 -1.453073883e+00 2.50 -2.776140221e+00 -2.157004446e+00 -1.658129721e+00 2.52 -2.793171382e+00 -2.281050962e+00 -1.844247795e+00 2.54 -2.803500443e+00 -2.390980444e+00 -2.012555592e+00 2.56 -2.807605119e+00 -2.487713164e+00 -2.164010851e+00 2.58 -2.805926235e+00 -2.572115564e+00 -2.299434819e+00 2.60 -2.798874333e+00 -2.644999979e+00 -2.419560737e+00 2.62 -2.786838627e+00 -2.707121111e+00 -2.525080071e+00 2.64 -2.770193559e+00 -2.759127906e+00 -2.616672055e+00 2.66 -2.749297530e+00 -2.801536230e+00 -2.695014363e+00 2.68 -2.724496264e+00 -2.834819856e+00 -2.760803172e+00 2.70 -2.696139451e+00 -2.859480430e+00 -2.814806665e+00 2.72 -2.664584715e+00 -2.876064484e+00 -2.857810641e+00 2.74 -2.630197556e+00 -2.885166418e+00 -2.890618135e+00 2.76 -2.593353484e+00 -2.887439116e+00 -2.914116108e+00 2.78 -2.554437795e+00 -2.883604843e+00 -2.929289900e+00 2.80 -2.513843174e+00 -2.874459495e+00 -2.937223054e+00 2.82 -2.471958446e+00 -2.860859306e+00 -2.939067615e+00 2.84 -2.429108514e+00 -2.843577210e+00 -2.935820949e+00 2.86 -2.385502355e+00 -2.823168969e+00 -2.928124577e+00 2.88 -2.341273230e+00 -2.800064953e+00 -2.916411262e+00 2.90 -2.296530828e+00 -2.774669278e+00 -2.901075547e+00 2.92 -2.251380588e+00 -2.747350326e+00 -2.882494142e+00 2.94 -2.205937397e+00 -2.718419244e+00 -2.861024591e+00 2.96 -2.160330414e+00 -2.688114592e+00 -2.836996777e+00 2.98 -2.114697289e+00 -2.656599501e+00 -2.810701045e+00 3.00 -2.069170274e+00 -2.623973945e+00 -2.782378990e+00 3.02 -2.023860475e+00 -2.590296644e+00 -2.752221782e+00 3.04 -1.978846242e+00 -2.555606370e+00 -2.720376758e+00 3.06 -1.934172267e+00 -2.519938445e+00 -2.686962695e+00 3.08 -1.889858026e+00 -2.483334424e+00 -2.652087735e+00 3.10 -1.845908000e+00 -2.445844531e+00 -2.615864835e+00 3.12 -1.802320992e+00 -2.407525899e+00 -2.578422977e+00 3.14 -1.759096159e+00 -2.368439759e+00 -2.539913755e+00 3.16 -1.716235615e+00 -2.328647712e+00 -2.500513184e+00 3.18 -1.673745504e+00 -2.288206071e+00 -2.460418032e+00 3.20 -1.631636865e+00 -2.247167701e+00 -2.419835633e+00 3.22 -1.589927448e+00 -2.205586595e+00 -2.378966035e+00 3.24 -1.548640236e+00 -2.163521468e+00 -2.337981985e+00 3.26 -1.507799286e+00 -2.121038000e+00 -2.297012881e+00 3.28 -1.467429800e+00 -2.078210101e+00 -2.256136209e+00 3.30 -1.427558258e+00 -2.035120662e+00 -2.215379520e+00 3.32 -1.388212000e+00 -1.991862102e+00 -2.174731974e+00 3.34 -1.349418591e+00 -1.948536414e+00 -2.134161008e+00 3.36 -1.311204522e+00 -1.905253971e+00 -2.093628762e+00 3.38 -1.273593668e+00 -1.862130135e+00 -2.053104544e+00 3.40 -1.236607110e+00 -1.819279552e+00 -2.012572016e+00 3.42 -1.200263246e+00 -1.776809612e+00 -1.972031730e+00 3.44 -1.164577905e+00 -1.734812077e+00 -1.931500526e+00 3.46 -1.129564468e+00 -1.693355456e+00 -1.891009268e+00 3.48 -1.095233989e+00 -1.652481215e+00 -1.850599688e+00 3.50 -1.061595317e+00 -1.612205040e+00 -1.810317696e+00 3.52 -1.028655227e+00 -1.572522433e+00 -1.770207534e+00 3.54 -9.964185360e-01 -1.533416637e+00 -1.730310909e+00 3.56 -9.648882364e-01 -1.494866542e+00 -1.690666568e+00 3.58 -9.340656111e-01 -1.456852883e+00 -1.651309788e+00 3.60 -9.039503554e-01 -1.419362056e+00 -1.612271899e+00 3.62 -8.745406944e-01 -1.382387728e+00 -1.573579970e+00 3.64 -8.458334937e-01 -1.345930848e+00 -1.535256820e+00 3.66 -8.178243697e-01 -1.309998738e+00 -1.497321457e+00 3.68 -7.905077931e-01 -1.274603788e+00 -1.459789939e+00 3.70 -7.638771873e-01 -1.239761318e+00 -1.422676506e+00 3.72 -7.379250222e-01 -1.205485931e+00 -1.385994794e+00 3.74 -7.126429045e-01 -1.171790360e+00 -1.349758942e+00 3.76 -6.880216573e-01 -1.138685521e+00 -1.313984479e+00 3.78 -6.640513998e-01 -1.106180586e+00 -1.278689003e+00 3.80 -6.407216175e-01 -1.074283068e+00 -1.243892688e+00 3.82 -6.180212275e-01 -1.042998891e+00 -1.209618650e+00 3.84 -5.959386396e-01 -1.012332476e+00 -1.175893147e+00 3.86 -5.744618080e-01 -9.822868147e-01 -1.142745447e+00 3.88 -5.535782818e-01 -9.528635497e-01 -1.110207209e+00 3.90 -5.332752462e-01 -9.240630509e-01 -1.078311157e+00 3.92 -5.135395606e-01 -8.958844901e-01 -1.047089080e+00 3.94 -4.943577912e-01 -8.683259160e-01 -1.016569606e+00 3.96 -4.757162382e-01 -8.413843271e-01 -9.867755807e-01 3.98 -4.576009582e-01 -8.150557421e-01 -9.577215518e-01 4.00 -4.399977852e-01 -7.893352729e-01 -9.294121696e-01 4.02 -4.228923450e-01 -7.642171908e-01 -9.018419204e-01 4.04 -4.062700702e-01 -7.396950017e-01 -8.749962563e-01 4.06 -3.901162140e-01 -7.157615154e-01 -8.488537816e-01 4.08 -3.744158630e-01 -6.924089222e-01 -8.233889519e-01 4.10 -3.591539556e-01 -6.696288740e-01 -7.985747072e-01 4.12 -3.443153054e-01 -6.474125706e-01 -7.743846245e-01 4.14 -3.298846350e-01 -6.257508594e-01 -7.507943890e-01 4.16 -3.158466239e-01 -6.046343447e-01 -7.277825900e-01 4.18 -3.021859813e-01 -5.840535137e-01 -7.053309684e-01 4.20 -2.888875450e-01 -5.639988790e-01 -6.834242878e-01 4.22 -2.759364221e-01 -5.444611375e-01 -6.620499922e-01 4.24 -2.633181815e-01 -5.254313422e-01 -6.411977769e-01 4.26 -2.510191099e-01 -5.069010793e-01 -6.208590677e-01 4.28 -2.390265489e-01 -4.888626330e-01 -6.010258938e-01 4.30 -2.273293210e-01 -4.713091152e-01 -5.816900860e-01 4.32 -2.159182601e-01 -4.542345270e-01 -5.628432476e-01 4.34 -2.047868429e-01 -4.376337122e-01 -5.444767833e-01 4.36 -1.939319089e-01 -4.215021672e-01 -5.265819267e-01 4.38 -1.833544338e-01 -4.058356774e-01 -5.091497657e-01 4.40 -1.730602861e-01 -3.906297877e-01 -4.921712642e-01 4.42 -1.630608602e-01 -3.758791460e-01 -4.756372827e-01 4.44 -1.533734367e-01 -3.615768101e-01 -4.595385958e-01 4.46 -1.440210873e-01 -3.477136446e-01 -4.438659089e-01 4.48 -1.350319369e-01 -3.342779389e-01 -4.286098724e-01 4.50 -1.264376330e-01 -3.212553510e-01 -4.137610935e-01 4.52 -1.182709779e-01 -3.086292217e-01 -3.993101477e-01 4.54 -1.105628363e-01 -2.963812814e-01 -3.852475891e-01 4.56 -1.033386362e-01 -2.844926169e-01 -3.715639583e-01 4.58 -9.661495285e-02 -2.729446596e-01 -3.582497918e-01 4.60 -9.039675699e-02 -2.617201396e-01 -3.452956296e-01 4.62 -8.467585460e-02 -2.508039223e-01 -3.326920254e-01 4.64 -7.943083739e-02 -2.401836768e-01 -3.204295549e-01 4.66 -7.462856160e-02 -2.298503552e-01 -3.084988295e-01 4.68 -7.022691596e-02 -2.197984797e-01 -2.968905115e-01 4.70 -6.617844846e-02 -2.100262285e-01 -2.855953337e-01 4.72 -6.243403865e-02 -2.005353058e-01 -2.746041248e-01 4.74 -5.894616675e-02 -1.913305679e-01 -2.639078435e-01 4.76 -5.567151573e-02 -1.824193781e-01 -2.534976213e-01 4.78 -5.257276961e-02 -1.738106841e-01 -2.433648170e-01 4.80 -4.961962917e-02 -1.655137743e-01 -2.335010853e-01 4.82 -4.678916418e-02 -1.575367816e-01 -2.238984601e-01 4.84 -4.406565898e-02 -1.498853828e-01 -2.145494556e-01 4.86 -4.144009812e-02 -1.425617353e-01 -2.054471833e-01 4.88 -3.890940504e-02 -1.355637615e-01 -1.965854830e-01 4.90 -3.647550655e-02 -1.288849203e-01 -1.879590645e-01 4.92 -3.414412354e-02 -1.225145101e-01 -1.795636480e-01 4.94 -3.192287736e-02 -1.164384516e-01 -1.713960912e-01 4.96 -2.981964596e-02 -1.106404004e-01 -1.634544813e-01 4.98 -2.784128950e-02 -1.051029961e-01 -1.557381683e-01 5.00 -2.599265769e-02 -9.980904206e-02 -1.482477065e-01 5.02 -2.427603942e-02 -9.474245386e-02 -1.409846777e-01 5.04 -2.269125497e-02 -8.988886983e-02 -1.339513721e-01 5.06 -2.123482410e-02 -8.523588802e-02 -1.271503173e-01 5.08 -1.990015656e-02 -8.077295621e-02 -1.205836717e-01 5.10 -1.867805592e-02 -7.649098866e-02 -1.142525252e-01 5.12 -1.755741416e-02 -7.238181724e-02 -1.081561838e-01 5.14 -1.652599226e-02 -6.843759679e-02 -1.022915334e-01 5.16 -1.557118578e-02 -6.465028041e-02 -9.665258683e-02 5.18 -1.468069593e-02 -6.101125783e-02 -9.123030109e-02 5.20 -1.384305807e-02 -5.751121136e-02 -8.601271347e-02 5.22 -1.304801127e-02 -5.414007682e-02 -8.098540540e-02 5.24 -1.228664478e-02 -5.088694432e-02 -7.613231567e-02 5.26 -1.155157480e-02 -4.774049338e-02 -7.143673534e-02 5.28 -1.083703817e-02 -4.468965183e-02 -6.688230096e-02 5.30 -1.013873325e-02 -4.172424316e-02 -6.245396196e-02 5.32 -9.453730719e-03 -3.883557019e-02 -5.813885509e-02 5.34 -8.780372694e-03 -3.601690328e-02 -5.392703828e-02 5.36 -8.118172288e-03 -3.326385877e-02 -4.981206112e-02 5.38 -7.467705132e-03 -3.057466272e-02 -4.579136482e-02 5.40 -6.830317763e-03 -2.795029947e-02 -4.186651008e-02 5.42 -6.207835381e-03 -2.539449760e-02 -3.804322830e-02 5.44 -5.602525048e-03 -2.291354204e-02 -3.433128256e-02 5.46 -5.017064848e-03 -2.051642361e-02 -3.074411307e-02 5.48 -4.454476253e-03 -1.821421535e-02 -2.729825713e-02 5.50 -3.918015388e-03 -1.601948030e-02 -2.401252044e-02 5.52 -3.411023261e-03 -1.394555390e-02 -2.090690338e-02 5.54 -2.936740949e-03 -1.200543098e-02 -1.800094275e-02 5.56 -2.498102585e-03 -1.021085271e-02 -1.531233497e-02 5.58 -2.097525104e-03 -8.571993944e-03 -1.285641084e-02 5.60 -1.736717864e-03 -7.096032694e-03 -1.064378493e-02 5.62 -1.416535526e-03 -5.786543358e-03 -8.680115873e-03 5.64 -1.136893610e-03 -4.643176814e-03 -6.965220292e-03 5.66 -8.967580423e-04 -3.661645718e-03 -5.492884285e-03 5.68 -6.942095400e-04 -2.834014520e-03 -4.251330378e-03 5.70 -5.265731117e-04 -2.149251192e-03 -3.224074401e-03 5.72 -3.905945874e-04 -1.593964920e-03 -2.391055936e-03 5.74 -2.826416487e-04 -1.153237245e-03 -1.729902516e-03 5.76 -1.989066681e-04 -8.114547696e-04 -1.217190099e-03 5.78 -1.355921882e-04 -5.530665746e-04 -8.295857244e-04 5.80 -8.906565287e-05 -3.632133082e-04 -5.447942799e-04 5.82 -5.597644789e-05 -2.282010533e-04 -3.422703818e-04 5.84 -3.333412825e-05 -1.358164462e-04 -2.036910840e-04 5.86 -1.855107713e-05 -7.549697860e-05 -1.132109615e-04 5.88 -9.455518614e-06 -3.838099327e-05 -5.753667459e-05 5.90 -4.281918555e-06 -1.726619899e-05 -2.586439679e-05 5.92 -1.645734383e-06 -6.505089480e-06 -9.722713698e-06 5.94 -5.086378859e-07 -1.862166857e-06 -2.758326929e-06 5.96 -1.391223635e-07 -3.529041886e-07 -4.944326927e-07 5.98 -7.209936259e-08 -7.905288961e-08 -8.365573831e-08 6.00 -6.984719221e-08 -6.984719221e-08 -6.984719221e-08