# 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 = AgCu3 # 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 5.113477931e+02 nan nan 0.96 4.629856655e+02 nan nan 0.98 4.196274020e+02 nan nan 1.00 3.806939786e+02 nan nan 1.02 3.456628207e+02 nan nan 1.04 3.140788347e+02 4.761690097e+02 nan 1.06 2.855526382e+02 4.345854595e+02 4.971288087e+02 1.08 2.597492369e+02 3.968807353e+02 4.545888364e+02 1.10 2.363752733e+02 3.626716357e+02 4.159188668e+02 1.12 2.151766026e+02 3.316159209e+02 3.807439681e+02 1.14 1.959339998e+02 3.034042449e+02 3.487334471e+02 1.16 1.784551919e+02 2.777579027e+02 3.195912302e+02 1.18 1.625674801e+02 2.544294379e+02 2.930493803e+02 1.20 1.481147002e+02 2.331971179e+02 2.688644456e+02 1.22 1.349547688e+02 2.138543883e+02 2.468121703e+02 1.24 1.229602330e+02 1.962078602e+02 2.266868929e+02 1.26 1.120192863e+02 1.800842681e+02 2.083031791e+02 1.28 1.020333754e+02 1.653315718e+02 1.914945438e+02 1.30 9.291430833e+01 1.518155971e+02 1.761111568e+02 1.32 8.458289799e+01 1.394170462e+02 1.620180543e+02 1.34 7.696733703e+01 1.280306170e+02 1.490949381e+02 1.36 7.000122609e+01 1.175637294e+02 1.372338395e+02 1.38 6.362355757e+01 1.079350577e+02 1.263355423e+02 1.40 5.778033916e+01 9.907243779e+01 1.163079063e+02 1.42 5.255161733e+01 9.091073989e+01 1.070669841e+02 1.44 4.822768476e+01 8.339017468e+01 9.854041180e+01 1.46 4.417513005e+01 7.645535426e+01 9.066782561e+01 1.48 4.038566054e+01 7.005564231e+01 8.339654289e+01 1.50 3.684834908e+01 6.414620719e+01 7.667806754e+01 1.52 3.355132819e+01 5.868824225e+01 7.046695905e+01 1.54 3.048258756e+01 5.364758033e+01 6.472093166e+01 1.56 2.763017764e+01 4.943461461e+01 5.940156955e+01 1.58 2.498211727e+01 4.560972665e+01 5.447450767e+01 1.60 2.252623061e+01 4.200867510e+01 5.021711544e+01 1.62 2.025015380e+01 3.862477625e+01 4.645901712e+01 1.64 1.814168822e+01 3.544992526e+01 4.291788221e+01 1.66 1.618984805e+01 3.247517094e+01 3.958524563e+01 1.68 1.438507149e+01 2.969112505e+01 3.645202875e+01 1.70 1.271872990e+01 2.708835326e+01 3.350889280e+01 1.72 1.118274126e+01 2.465754350e+01 3.074694151e+01 1.74 9.769218367e+00 2.238957076e+01 2.815810667e+01 1.76 8.470292561e+00 2.027605888e+01 2.573485527e+01 1.78 7.278184783e+00 1.830901900e+01 2.346955376e+01 1.80 6.185457633e+00 1.648038712e+01 2.135410268e+01 1.82 5.185202912e+00 1.478223897e+01 1.938005492e+01 1.84 4.271036436e+00 1.320699837e+01 1.753899573e+01 1.86 3.437083310e+00 1.174740011e+01 1.582282882e+01 1.88 2.677885640e+00 1.039626235e+01 1.422378117e+01 1.90 1.988305890e+00 9.146485356e+00 1.273449721e+01 1.92 1.363481082e+00 7.991228681e+00 1.134820145e+01 1.94 7.988247853e-01 6.924051008e+00 1.005884056e+01 1.96 2.900542266e-01 5.939002633e+00 8.861071058e+00 1.98 -1.668426458e-01 5.030688040e+00 7.749996024e+00 2.00 -5.756902532e-01 4.194249077e+00 6.720788598e+00 2.02 -9.401501990e-01 3.425345716e+00 5.768657590e+00 2.04 -1.263740944e+00 2.720054227e+00 4.888991600e+00 2.06 -1.549899096e+00 2.074687246e+00 4.077320994e+00 2.08 -1.801968681e+00 1.485621893e+00 3.329416845e+00 2.10 -2.023146142e+00 9.491915301e-01 2.641394054e+00 2.12 -2.216448124e+00 4.616705894e-01 2.009686976e+00 2.14 -2.384705432e+00 1.936596964e-02 1.430950706e+00 2.16 -2.530568531e+00 -3.812370755e-01 9.020125903e-01 2.18 -2.656502111e+00 -7.433671857e-01 4.198257921e-01 2.20 -2.764759491e+00 -1.069924075e+00 -1.857289204e-02 2.22 -2.857339658e+00 -1.363520436e+00 -4.160863399e-01 2.24 -2.935928412e+00 -1.626535572e+00 -7.755530309e-01 2.26 -3.001847920e+00 -1.861167062e+00 -1.099713825e+00 2.28 -3.056150990e+00 -2.069478179e+00 -1.391152410e+00 2.30 -3.099712811e+00 -2.253439281e+00 -1.652255062e+00 2.32 -3.133280570e+00 -2.414959278e+00 -1.885211182e+00 2.34 -3.157512981e+00 -2.555895172e+00 -2.092070916e+00 2.36 -3.172939619e+00 -2.678045334e+00 -2.274831534e+00 2.38 -3.180143198e+00 -2.783138172e+00 -2.435503214e+00 2.40 -3.179834457e+00 -2.872821567e+00 -2.576119211e+00 2.42 -3.172804839e+00 -2.948652468e+00 -2.698699292e+00 2.44 -3.159861945e+00 -3.012087540e+00 -2.805188880e+00 2.46 -3.141769943e+00 -3.064463699e+00 -2.897390114e+00 2.48 -3.119209940e+00 -3.106975792e+00 -2.976891524e+00 2.50 -3.092768999e+00 -3.140656461e+00 -3.045016083e+00 2.52 -3.062951235e+00 -3.166365906e+00 -3.102798557e+00 2.54 -3.030187354e+00 -3.184831461e+00 -3.151046313e+00 2.56 -2.994845455e+00 -3.196650925e+00 -3.190425693e+00 2.58 -2.957243712e+00 -3.202310216e+00 -3.221494537e+00 2.60 -2.917665948e+00 -3.202294697e+00 -3.244745608e+00 2.62 -2.876377993e+00 -3.197106344e+00 -3.260637699e+00 2.64 -2.833638312e+00 -3.187248364e+00 -3.269553164e+00 2.66 -2.789695465e+00 -3.173200677e+00 -3.271896441e+00 2.68 -2.744777127e+00 -3.155391882e+00 -3.268148932e+00 2.70 -2.699075264e+00 -3.134181064e+00 -3.258842523e+00 2.72 -2.652731979e+00 -3.109860337e+00 -3.244529527e+00 2.74 -2.605833621e+00 -3.082677345e+00 -3.225757987e+00 2.76 -2.558418466e+00 -3.052866203e+00 -3.203054619e+00 2.78 -2.510498678e+00 -3.020669057e+00 -3.176914206e+00 2.80 -2.462092488e+00 -2.986344433e+00 -3.147803246e+00 2.82 -2.413245498e+00 -2.950161237e+00 -3.116159304e+00 2.84 -2.364032851e+00 -2.912385542e+00 -3.082386229e+00 2.86 -2.314546982e+00 -2.873268337e+00 -3.046852056e+00 2.88 -2.264879775e+00 -2.833035880e+00 -3.009888279e+00 2.90 -2.215108381e+00 -2.791882905e+00 -2.971787605e+00 2.92 -2.165289809e+00 -2.749976539e+00 -2.932797790e+00 2.94 -2.115462884e+00 -2.707458776e+00 -2.893111905e+00 2.96 -2.065652509e+00 -2.664444106e+00 -2.852859104e+00 2.98 -2.015881415e+00 -2.621020622e+00 -2.812102209e+00 3.00 -1.966185353e+00 -2.577255559e+00 -2.770846982e+00 3.02 -1.916615885e+00 -2.533203126e+00 -2.729062712e+00 3.04 -1.867238596e+00 -2.488910853e+00 -2.686708411e+00 3.06 -1.818129921e+00 -2.444422892e+00 -2.643756690e+00 3.08 -1.769372669e+00 -2.399779713e+00 -2.600207739e+00 3.10 -1.721049236e+00 -2.355014634e+00 -2.556093083e+00 3.12 -1.673235934e+00 -2.310149495e+00 -2.511472105e+00 3.14 -1.625999403e+00 -2.265192264e+00 -2.466425059e+00 3.16 -1.579395185e+00 -2.220138075e+00 -2.421044981e+00 3.18 -1.533468610e+00 -2.174973507e+00 -2.375429224e+00 3.20 -1.488256942e+00 -2.129685889e+00 -2.329670934e+00 3.22 -1.443791301e+00 -2.084273179e+00 -2.283855941e+00 3.24 -1.400097391e+00 -2.038750478e+00 -2.238061184e+00 3.26 -1.357195201e+00 -1.993151943e+00 -2.192349589e+00 3.28 -1.315098574e+00 -1.947528817e+00 -2.146767065e+00 3.30 -1.273815562e+00 -1.901945278e+00 -2.101343134e+00 3.32 -1.233349817e+00 -1.856473755e+00 -2.056094931e+00 3.34 -1.193702602e+00 -1.811190566e+00 -2.011032963e+00 3.36 -1.154874067e+00 -1.766171982e+00 -1.966166827e+00 3.38 -1.116863594e+00 -1.721490259e+00 -1.921509548e+00 3.40 -1.079670741e+00 -1.677210714e+00 -1.877080100e+00 3.42 -1.043295719e+00 -1.633393128e+00 -1.832904322e+00 3.44 -1.007739363e+00 -1.590090563e+00 -1.789014730e+00 3.46 -9.730028406e-01 -1.547346574e+00 -1.745449713e+00 3.48 -9.390872404e-01 -1.505193794e+00 -1.702252327e+00 3.50 -9.059926303e-01 -1.463654350e+00 -1.659467617e+00 3.52 -8.737173017e-01 -1.422741849e+00 -1.617139964e+00 3.54 -8.422578135e-01 -1.382464232e+00 -1.575311865e+00 3.56 -8.116091234e-01 -1.342826600e+00 -1.534022527e+00 3.58 -7.817647183e-01 -1.303833438e+00 -1.493306141e+00 3.60 -7.527167423e-01 -1.265489984e+00 -1.453190129e+00 3.62 -7.244561251e-01 -1.227802806e+00 -1.413693796e+00 3.64 -6.969727030e-01 -1.190779822e+00 -1.374827889e+00 3.66 -6.702553411e-01 -1.154429982e+00 -1.336595368e+00 3.68 -6.442920551e-01 -1.118762828e+00 -1.298993413e+00 3.70 -6.190701265e-01 -1.083787760e+00 -1.262016205e+00 3.72 -5.945762216e-01 -1.049512770e+00 -1.225657833e+00 3.74 -5.707965123e-01 -1.015944079e+00 -1.189914647e+00 3.76 -5.477167945e-01 -9.830862051e-01 -1.154786675e+00 3.78 -5.253226204e-01 -9.509420392e-01 -1.120278062e+00 3.80 -5.035994287e-01 -9.195129312e-01 -1.086396747e+00 3.82 -4.825326968e-01 -8.887987709e-01 -1.053153679e+00 3.84 -4.621080983e-01 -8.587980741e-01 -1.020561828e+00 3.86 -4.423116886e-01 -8.295080663e-01 -9.886351328e-01 3.88 -4.231301052e-01 -8.009247686e-01 -9.573873815e-01 3.90 -4.045507998e-01 -7.730430826e-01 -9.268309989e-01 3.92 -3.865622926e-01 -7.458568756e-01 -8.969759600e-01 3.94 -3.691544462e-01 -7.193590678e-01 -8.678298244e-01 3.96 -3.523187540e-01 -6.935417165e-01 -8.393973837e-01 3.98 -3.360486093e-01 -6.683961052e-01 -8.116798503e-01 4.00 -3.203395261e-01 -6.439128349e-01 -7.846743535e-01 4.02 -3.051892551e-01 -6.200819159e-01 -7.583739071e-01 4.04 -2.905977106e-01 -5.968928715e-01 -7.327678710e-01 4.06 -2.765666282e-01 -5.743348433e-01 -7.078427740e-01 4.08 -2.630988599e-01 -5.523967136e-01 -6.835833141e-01 4.10 -2.501972422e-01 -5.310672371e-01 -6.599733302e-01 4.12 -2.378630457e-01 -5.103351936e-01 -6.369965917e-01 4.14 -2.260941262e-01 -4.901895585e-01 -6.146373524e-01 4.16 -2.148830230e-01 -4.706197000e-01 -5.928806551e-01 4.18 -2.042153758e-01 -4.516155953e-01 -5.717124492e-01 4.20 -1.940690678e-01 -4.331680723e-01 -5.511195675e-01 4.22 -1.844144199e-01 -4.152690600e-01 -5.310896347e-01 4.24 -1.752155363e-01 -3.979118370e-01 -5.116109369e-01 4.26 -1.664326188e-01 -3.810912470e-01 -4.926722666e-01 4.28 -1.580248203e-01 -3.648038421e-01 -4.742625467e-01 4.30 -1.499530985e-01 -3.490478988e-01 -4.563705769e-01 4.32 -1.421825925e-01 -3.338232441e-01 -4.389850419e-01 4.34 -1.346842373e-01 -3.191308250e-01 -4.220945399e-01 4.36 -1.274355500e-01 -3.049719814e-01 -4.056876119e-01 4.38 -1.204207061e-01 -2.913474171e-01 -3.897527631e-01 4.40 -1.136301052e-01 -2.782559345e-01 -3.742784868e-01 4.42 -1.070596336e-01 -2.656930861e-01 -3.592532854e-01 4.44 -1.007097693e-01 -2.536499596e-01 -3.446656877e-01 4.46 -9.458460207e-02 -2.421123495e-01 -3.305042663e-01 4.48 -8.869076772e-02 -2.310605318e-01 -3.167576555e-01 4.50 -8.303625532e-02 -2.204697432e-01 -3.034145659e-01 4.52 -7.762916084e-02 -2.103113221e-01 -2.904637993e-01 4.54 -7.247702669e-02 -2.005543682e-01 -2.778942655e-01 4.56 -6.758604618e-02 -1.911676092e-01 -2.656950003e-01 4.58 -6.295970575e-02 -1.821210771e-01 -2.538551836e-01 4.60 -5.859748981e-02 -1.733874448e-01 -2.423641614e-01 4.62 -5.449484079e-02 -1.649429258e-01 -2.312114726e-01 4.64 -5.064202802e-02 -1.567677308e-01 -2.203868822e-01 4.66 -4.702439626e-02 -1.488461506e-01 -2.098804203e-01 4.68 -4.362335025e-02 -1.411663599e-01 -1.996824309e-01 4.70 -4.041787030e-02 -1.337200399e-01 -1.897836330e-01 4.72 -3.738610242e-02 -1.265018897e-01 -1.801751951e-01 4.74 -3.450685249e-02 -1.195090728e-01 -1.708488281e-01 4.76 -3.176087901e-02 -1.127406163e-01 -1.617968959e-01 4.78 -2.913188693e-02 -1.061967779e-01 -1.530125483e-01 4.80 -2.660719299e-02 -9.987844584e-02 -1.444898775e-01 4.82 -2.417808237e-02 -9.378673778e-02 -1.362240970e-01 4.84 -2.183990071e-02 -8.792269161e-02 -1.282117432e-01 4.86 -1.959192216e-02 -8.228701324e-02 -1.204508905e-01 4.88 -1.743702493e-02 -7.687994698e-02 -1.129413714e-01 4.90 -1.538119659e-02 -7.170130530e-02 -1.056849816e-01 4.92 -1.343286864e-02 -6.675065739e-02 -9.868564525e-02 4.94 -1.160208532e-02 -6.202763631e-02 -9.194950394e-02 4.96 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