# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--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 3.123592468e+02 nan nan 0.92 2.879347888e+02 nan nan 0.94 2.661274618e+02 nan nan 0.96 2.465569951e+02 nan nan 0.98 2.289003471e+02 3.129201931e+02 nan 1.00 2.128855059e+02 2.903410279e+02 3.217282800e+02 1.02 1.982899916e+02 2.700151191e+02 2.988198763e+02 1.04 1.849238069e+02 2.516393677e+02 2.781895800e+02 1.06 1.726306337e+02 2.349484804e+02 2.595328751e+02 1.08 1.612764071e+02 2.197239725e+02 2.425903566e+02 1.10 1.507508587e+02 2.057785358e+02 2.271379615e+02 1.12 1.409598955e+02 1.929485936e+02 2.129874260e+02 1.14 1.318245657e+02 1.810941385e+02 1.999750941e+02 1.16 1.232798865e+02 1.701018032e+02 1.879598876e+02 1.18 1.152750022e+02 1.598742237e+02 1.768248556e+02 1.20 1.077617354e+02 1.503280005e+02 1.664697238e+02 1.22 1.006991158e+02 1.413896535e+02 1.568049660e+02 1.24 9.405654047e+01 1.330033744e+02 1.477603989e+02 1.26 8.780383290e+01 1.251165699e+02 1.392725494e+02 1.28 8.191430581e+01 1.176860186e+02 1.312882733e+02 1.30 7.636693583e+01 1.106738411e+02 1.237588090e+02 1.32 7.114262384e+01 1.040474776e+02 1.166493472e+02 1.34 6.622285163e+01 9.778101273e+01 1.099264668e+02 1.36 6.159078910e+01 9.184977584e+01 1.035608167e+02 1.38 5.722976811e+01 8.623298826e+01 9.752638045e+01 1.40 5.312824199e+01 8.091363565e+01 9.180080026e+01 1.42 4.927268835e+01 7.587521690e+01 8.636849778e+01 1.44 4.565033128e+01 7.110189026e+01 8.121160194e+01 1.46 4.225012435e+01 6.657871806e+01 7.631540036e+01 1.48 3.906058633e+01 6.229462612e+01 7.166798383e+01 1.50 3.606926625e+01 5.824019948e+01 6.725665563e+01 1.52 3.326726356e+01 5.440474495e+01 6.307010912e+01 1.54 3.064550768e+01 5.077739372e+01 5.909902982e+01 1.56 2.819486714e+01 4.734986592e+01 5.533260163e+01 1.58 2.590641073e+01 4.411312829e+01 5.176250786e+01 1.60 2.377133053e+01 4.105856922e+01 4.838104934e+01 1.62 2.178103238e+01 3.817740619e+01 4.518007214e+01 1.64 1.992710415e+01 3.546158843e+01 4.215229517e+01 1.66 1.820178846e+01 3.290325052e+01 3.928932267e+01 1.68 1.659812877e+01 3.049539168e+01 3.658402366e+01 1.70 1.506006063e+01 2.823176088e+01 3.403040969e+01 1.72 1.367601251e+01 2.610521496e+01 3.162208254e+01 1.74 1.237429412e+01 2.410930567e+01 2.935251675e+01 1.76 1.117270641e+01 2.223694465e+01 2.721512504e+01 1.78 1.004825402e+01 2.048199847e+01 2.520363065e+01 1.80 8.996924687e+00 1.883909724e+01 2.331263017e+01 1.82 8.014247392e+00 1.730242315e+01 2.153636152e+01 1.84 7.096713853e+00 1.583364805e+01 1.986925019e+01 1.86 6.239297008e+00 1.448483091e+01 1.830559558e+01 1.88 5.440407159e+00 1.321899771e+01 1.683919900e+01 1.90 4.696895662e+00 1.202986275e+01 1.541632985e+01 1.92 4.005697807e+00 1.092688306e+01 1.412940168e+01 1.94 3.363902952e+00 9.888896707e+00 1.292373542e+01 1.96 2.768745352e+00 8.913623859e+00 1.177734859e+01 1.98 2.217418850e+00 7.996797107e+00 1.071159509e+01 2.00 1.707591973e+00 7.136211466e+00 9.708108267e+00 2.02 1.236886710e+00 6.329434271e+00 8.763816110e+00 2.04 8.028606483e-01 5.573740093e+00 7.875513169e+00 2.06 4.034535040e-01 4.866537824e+00 7.040773570e+00 2.08 3.655220191e-02 4.205358866e+00 6.256989249e+00 2.10 -2.996839728e-01 3.587847602e+00 5.521579918e+00 2.12 -6.071316251e-01 3.011753429e+00 4.831685233e+00 2.14 -8.871261087e-01 2.474927858e+00 4.185691136e+00 2.16 -1.141494986e+00 1.974975541e+00 3.581400318e+00 2.18 -1.373097530e+00 1.510141360e+00 3.016710571e+00 2.20 -1.582276316e+00 1.078722321e+00 2.489609472e+00 2.22 -1.770768945e+00 6.786867283e-01 1.997879609e+00 2.24 -1.939933269e+00 3.084767955e-01 1.539372759e+00 2.26 -2.091057506e+00 -3.348521046e-02 1.113010402e+00 2.28 -2.225360481e+00 -3.487891095e-01 7.170078436e-01 2.30 -2.343994412e+00 -6.389519205e-01 3.497925792e-01 2.32 -2.448047681e+00 -9.054150934e-01 9.836512175e-03 2.34 -2.538469498e+00 -1.148806303e+00 -3.043535593e-01 2.36 -2.615980221e+00 -1.371258774e+00 -5.942045012e-01 2.38 -2.681924362e+00 -1.573866285e+00 -8.610790437e-01 2.40 -2.737111882e+00 -1.757939345e+00 -1.105670261e+00 2.42 -2.782312357e+00 -1.924687324e+00 -1.329737043e+00 2.44 -2.818360084e+00 -2.075162138e+00 -1.534621430e+00 2.46 -2.845817612e+00 -2.210363053e+00 -1.721182868e+00 2.48 -2.865409369e+00 -2.331313582e+00 -1.890851289e+00 2.50 -2.878031059e+00 -2.439062204e+00 -2.045045859e+00 2.52 -2.884020385e+00 -2.534248026e+00 -2.184207195e+00 2.54 -2.883926823e+00 -2.617698036e+00 -2.309239699e+00 2.56 -2.878269867e+00 -2.689897017e+00 -2.421018575e+00 2.58 -2.867535685e+00 -2.751799308e+00 -2.520374946e+00 2.60 -2.852178935e+00 -2.804827141e+00 -2.608097622e+00 2.62 -2.832623811e+00 -2.849151603e+00 -2.684865187e+00 2.64 -2.809223273e+00 -2.885209431e+00 -2.751162619e+00 2.66 -2.781524384e+00 -2.913569809e+00 -2.807986149e+00 2.68 -2.750761083e+00 -2.934749638e+00 -2.855968104e+00 2.70 -2.717290167e+00 -2.949311135e+00 -2.895708110e+00 2.72 -2.681405988e+00 -2.957781876e+00 -2.927773619e+00 2.74 -2.643373122e+00 -2.960637002e+00 -2.952697683e+00 2.76 -2.603802158e+00 -2.958315780e+00 -2.970876167e+00 2.78 -2.562707858e+00 -2.951254584e+00 -2.982940012e+00 2.80 -2.520223961e+00 -2.939882713e+00 -2.989412888e+00 2.82 -2.476487834e+00 -2.924494535e+00 -2.990611406e+00 2.84 -2.431696375e+00 -2.905434465e+00 -2.986938685e+00 2.86 -2.385911860e+00 -2.883028355e+00 -2.978855242e+00 2.88 -2.339505348e+00 -2.857261138e+00 -2.967318404e+00 2.90 -2.292547503e+00 -2.828183564e+00 -2.951941587e+00 2.92 -2.245161152e+00 -2.796936082e+00 -2.933048332e+00 2.94 -2.197474133e+00 -2.763467456e+00 -2.910940986e+00 2.96 -2.149602454e+00 -2.728009495e+00 -2.885745570e+00 2.98 -2.101818785e+00 -2.690778839e+00 -2.857171561e+00 3.00 -2.054121313e+00 -2.651977771e+00 -2.826254095e+00 3.02 -2.006513864e+00 -2.611796239e+00 -2.793201279e+00 3.04 -1.959078855e+00 -2.570589692e+00 -2.758229221e+00 3.06 -1.911891374e+00 -2.528576192e+00 -2.721540410e+00 3.08 -1.865022533e+00 -2.485654479e+00 -2.683324400e+00 3.10 -1.818592594e+00 -2.441882268e+00 -2.643758562e+00 3.12 -1.772593418e+00 -2.397332275e+00 -2.603008661e+00 3.14 -1.727027897e+00 -2.352228972e+00 -2.561229517e+00 3.16 -1.681879181e+00 -2.306748300e+00 -2.518566517e+00 3.18 -1.637130517e+00 -2.260996176e+00 -2.475138729e+00 3.20 -1.592945964e+00 -2.215068810e+00 -2.430915027e+00 3.22 -1.549432448e+00 -2.169054753e+00 -2.386316550e+00 3.24 -1.506589165e+00 -2.123035646e+00 -2.341394768e+00 3.26 -1.464436623e+00 -2.077086637e+00 -2.296169150e+00 3.28 -1.422992969e+00 -2.031276706e+00 -2.250735263e+00 3.30 -1.382279457e+00 -1.985669008e+00 -2.205179789e+00 3.32 -1.342304445e+00 -1.940321384e+00 -2.159582857e+00 3.34 -1.303081083e+00 -1.895286756e+00 -2.114018444e+00 3.36 -1.264620813e+00 -1.850610957e+00 -2.068554790e+00 3.38 -1.226919257e+00 -1.806348668e+00 -2.023254563e+00 3.40 -1.189993194e+00 -1.762536845e+00 -1.978175224e+00 3.42 -1.153854698e+00 -1.719344060e+00 -1.933369582e+00 3.44 -1.118483126e+00 -1.676557184e+00 -1.888885445e+00 3.46 -1.083874143e+00 -1.634159509e+00 -1.844766977e+00 3.48 -1.050030725e+00 -1.592280107e+00 -1.801064478e+00 3.50 -1.016941532e+00 -1.551015171e+00 -1.757791344e+00 3.52 -9.845633048e-01 -1.510367830e+00 -1.715180771e+00 3.54 -9.529179217e-01 -1.470344403e+00 -1.672961256e+00 3.56 -9.220303413e-01 -1.430961107e+00 -1.631150472e+00 3.58 -8.918797029e-01 -1.392234984e+00 -1.589886100e+00 3.60 -8.623342458e-01 -1.354170408e+00 -1.549220807e+00 3.62 -8.331581761e-01 -1.316778349e+00 -1.509154308e+00 3.64 -8.046436326e-01 -1.280069086e+00 -1.469696622e+00 3.66 -7.770283657e-01 -1.244036204e+00 -1.430862645e+00 3.68 -7.504819862e-01 -1.208692674e+00 -1.392668627e+00 3.70 -7.251543457e-01 -1.174054843e+00 -1.355116989e+00 3.72 -7.010898195e-01 -1.140103168e+00 -1.318219482e+00 3.74 -6.785317472e-01 -1.106827387e+00 -1.281985335e+00 3.76 -6.571897440e-01 -1.074232994e+00 -1.246407565e+00 3.78 -6.364348515e-01 -1.042326747e+00 -1.211499604e+00 3.80 -6.158228218e-01 -1.011058270e+00 -1.177277364e+00 3.82 -5.950542646e-01 -9.804272470e-01 -1.143721790e+00 3.84 -5.739421699e-01 -9.504582092e-01 -1.110823011e+00 3.86 -5.523855508e-01 -9.211750823e-01 -1.078586161e+00 3.88 -5.303481658e-01 -8.925837132e-01 -1.047018973e+00 3.90 -5.078346719e-01 -8.643371784e-01 -1.016075666e+00 3.92 -4.848720445e-01 -8.364734563e-01 -9.857464548e-01 3.94 -4.615551789e-01 -8.092505396e-01 -9.561767587e-01 3.96 -4.378709894e-01 -7.828613678e-01 -9.272942769e-01 3.98 -4.140470333e-01 -7.574456444e-01 -8.990886234e-01 4.00 -3.903910784e-01 -7.330997606e-01 -8.712922157e-01 4.02 -3.671394278e-01 -7.099295694e-01 -8.438101697e-01 4.04 -3.444701453e-01 -6.881885580e-01 -8.168987431e-01 4.06 -3.225140333e-01 -6.675896685e-01 -7.907523693e-01 4.08 -3.013637265e-01 -6.475710509e-01 -7.655140912e-01 4.10 -2.810812116e-01 -6.277241946e-01 -7.412848628e-01 4.12 -2.617040240e-01 -6.077654012e-01 -7.181341906e-01 4.14 -2.432503500e-01 -5.875094619e-01 -6.963023069e-01 4.16 -2.257232125e-01 -5.668479994e-01 -6.757866156e-01 4.18 -2.091138980e-01 -5.457317262e-01 -6.560154868e-01 4.20 -1.934047455e-01 -5.241559873e-01 -6.365543703e-01 4.22 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-2.616451226e-01 4.58 -3.867260902e-02 -1.675931082e-01 -2.443405028e-01 4.60 -3.607851023e-02 -1.557358306e-01 -2.278569887e-01 4.62 -3.364185135e-02 -1.445403428e-01 -2.121864386e-01 4.64 -3.135323729e-02 -1.339773315e-01 -1.973139162e-01 4.66 -2.920382146e-02 -1.240172432e-01 -1.832193203e-01 4.68 -2.718527545e-02 -1.146306549e-01 -1.698787156e-01 4.70 -2.528976006e-02 -1.057885634e-01 -1.572654212e-01 4.72 -2.350989773e-02 -9.746260747e-02 -1.453508952e-01 4.74 -2.183874633e-02 -8.962523348e-02 -1.341054492e-01 4.76 -2.026977428e-02 -8.224981793e-02 -1.234988226e-01 4.78 -1.879683669e-02 -7.531074837e-02 -1.135006335e-01 4.80 -1.741415294e-02 -6.877577484e-02 -1.040807353e-01 4.82 -1.611628545e-02 -6.285669631e-02 -9.520949306e-02 4.84 -1.489811974e-02 -5.737582258e-02 -8.685799485e-02 4.86 -1.375484543e-02 -5.221649515e-02 -7.899820721e-02 4.88 -1.268193834e-02 -4.736031376e-02 -7.160308532e-02 4.90 -1.167514363e-02 -4.278982796e-02 -6.464664945e-02 4.92 -1.073045992e-02 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