# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Au # 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 2026-08-31 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 5.634922406e+06 nan nan 0.80 5.081244088e+06 nan nan 0.82 4.580714348e+06 nan nan 0.84 4.127201884e+06 nan nan 0.86 3.715385228e+06 5.400571089e+06 nan 0.88 3.340578189e+06 4.911725262e+06 5.518175112e+06 0.90 2.998755663e+06 4.465769912e+06 5.032138468e+06 0.92 2.686400836e+06 4.058164356e+06 4.587853069e+06 0.94 2.400474150e+06 3.684889535e+06 4.181001146e+06 0.96 2.138257651e+06 3.342495887e+06 3.807696590e+06 0.98 1.897391197e+06 3.027821016e+06 3.464601308e+06 1.00 1.675780848e+06 2.738120020e+06 3.148723380e+06 1.02 1.471567799e+06 2.470985205e+06 2.857444959e+06 1.04 1.283087271e+06 2.224343794e+06 2.588425405e+06 1.06 1.108896900e+06 1.996312318e+06 2.339660009e+06 1.08 9.476908875e+05 1.785218623e+06 2.109339962e+06 1.10 7.982996754e+05 1.589476154e+06 1.895790303e+06 1.12 6.596981412e+05 1.407752222e+06 1.697493786e+06 1.14 5.314285150e+05 1.238852849e+06 1.513142655e+06 1.16 4.169335097e+05 1.081659221e+06 1.341520046e+06 1.18 3.260080728e+05 9.351983446e+05 1.181597687e+06 1.20 2.554841763e+05 7.986009003e+05 1.032415363e+06 1.22 2.006528496e+05 6.710440926e+05 8.931148959e+05 1.24 1.579090590e+05 5.520345262e+05 7.629212110e+05 1.26 1.245041835e+05 4.435818624e+05 6.411098082e+05 1.28 9.834044946e+04 3.537829026e+05 5.274705839e+05 1.30 7.780089187e+04 2.827142292e+05 4.247465149e+05 1.32 6.164326837e+04 2.263379060e+05 3.409939813e+05 1.34 4.891164860e+04 1.815124721e+05 2.742482476e+05 1.36 3.886327451e+04 1.458051559e+05 2.209416806e+05 1.38 3.091735617e+04 1.173017614e+05 1.782852232e+05 1.40 2.462346167e+04 9.449981515e+04 1.440784493e+05 1.42 1.963165904e+04 7.623043994e+04 1.166019188e+05 1.44 1.566734647e+04 6.157031144e+04 9.449477528e+04 1.46 1.251392633e+04 4.978995949e+04 7.668071718e+04 1.48 1.000239376e+04 4.031077141e+04 6.229946777e+04 1.50 8.000330102e+03 3.267104163e+04 5.067200746e+04 1.52 6.403068710e+03 2.650446893e+04 4.125937543e+04 1.54 5.127745567e+03 2.152140951e+04 3.363054737e+04 1.56 4.108247141e+03 1.749005990e+04 2.744029709e+04 1.58 3.292406065e+03 1.422462167e+04 2.240984525e+04 1.60 2.639158433e+03 1.157721495e+04 1.831483191e+04 1.62 2.115898880e+03 9.429056026e+03 1.497839488e+04 1.64 1.696605934e+03 7.684400480e+03 1.225759371e+04 1.66 1.360478512e+03 6.265674122e+03 1.003647048e+04 1.68 1.090924879e+03 5.110444204e+03 8.221976779e+03 1.70 8.746358659e+02 4.169224694e+03 6.738727959e+03 1.72 7.010432891e+02 3.402067519e+03 5.525254987e+03 1.74 5.617247933e+02 2.776524328e+03 4.531753065e+03 1.76 4.499264391e+02 2.266202910e+03 3.717978995e+03 1.78 3.602255624e+02 1.849774952e+03 3.051140379e+03 1.80 2.882673443e+02 1.509897368e+03 2.504398345e+03 1.82 2.305539056e+02 1.232452663e+03 2.055836318e+03 1.84 1.842713197e+02 1.005942860e+03 1.687734600e+03 1.86 1.471449854e+02 8.209988091e+02 1.385599595e+03 1.88 1.173680563e+02 6.699821170e+02 1.137566216e+03 1.90 9.349062376e+01 5.466100466e+02 9.338265807e+02 1.92 7.434877860e+01 4.457907771e+02 7.664000000e+02 1.94 5.900961883e+01 3.634147322e+02 6.288229712e+02 1.96 4.672218554e+01 2.961203642e+02 5.157841436e+02 1.98 3.688226030e+01 2.411576309e+02 4.229178533e+02 2.00 2.900377563e+01 1.962749256e+02 3.466343513e+02 2.02 2.269439340e+01 1.596137115e+02 2.839755276e+02 2.04 1.764125337e+01 1.296730789e+02 2.325163580e+02 2.06 1.359376145e+01 1.052301076e+02 1.902644166e+02 2.08 1.034984820e+01 8.528261351e+01 1.555803393e+02 2.10 7.748000297e+00 6.900950060e+01 1.271152859e+02 2.12 5.659043051e+00 5.573823329e+01 1.037595234e+02 2.14 3.980341298e+00 4.491814547e+01 8.459703544e+01 2.16 2.629805632e+00 3.609853446e+01 6.886157143e+01 2.18 1.541680101e+00 2.891067985e+01 5.594293208e+01 2.20 6.633690593e-01 2.305146846e+01 4.534152136e+01 2.22 -4.713372054e-02 1.827304676e+01 3.664516329e+01 2.24 -6.233261627e-01 1.437609443e+01 2.951398353e+01 2.26 -1.091880857e+00 1.119641096e+01 2.366788838e+01 2.28 -1.474004566e+00 8.600549351e+00 1.887619558e+01 2.30 -1.786535096e+00 6.480809388e+00 1.494904745e+01 2.32 -2.042825074e+00 4.749097498e+00 1.172996626e+01 2.34 -2.253452958e+00 3.333435686e+00 9.090441919e+00 2.36 -2.426794120e+00 2.175082325e+00 6.925485485e+00 2.38 -2.569478690e+00 1.226156586e+00 5.148906365e+00 2.40 -2.686757881e+00 4.476796213e-01 3.690011198e+00 2.42 -2.782781775e+00 -1.920394837e-01 2.490877305e+00 2.44 -2.860821989e+00 -7.187326840e-01 1.504096685e+00 2.46 -2.923513625e+00 -1.153280293e+00 6.909103517e-01 2.48 -2.972923473e+00 -1.512570202e+00 1.966636790e-02 2.50 -3.010715085e+00 -1.810236109e+00 -5.354537258e-01 2.52 -3.038278549e+00 -2.057302666e+00 -9.954862979e-01 2.54 -3.056736222e+00 -2.262676032e+00 -1.377594025e+00 2.56 -3.067007775e+00 -2.433545365e+00 -1.695643999e+00 2.58 -3.069903864e+00 -2.575711130e+00 -1.960825988e+00 2.60 -3.066122503e+00 -2.693853136e+00 -2.182248691e+00 2.62 -3.056273868e+00 -2.791748945e+00 -2.367320810e+00 2.64 -3.040899683e+00 -2.872451509e+00 -2.522064472e+00 2.66 -3.020488009e+00 -2.938433330e+00 -2.651373149e+00 2.68 -2.995484439e+00 -2.991703165e+00 -2.759223577e+00 2.70 -2.966300483e+00 -3.033900271e+00 -2.848849559e+00 2.72 -2.933319778e+00 -3.066370280e+00 -2.922884229e+00 2.74 -2.896902638e+00 -3.090226114e+00 -2.983476278e+00 2.76 -2.857389329e+00 -3.106396692e+00 -3.032384661e+00 2.78 -2.815102389e+00 -3.115665754e+00 -3.071055601e+00 2.80 -2.770348256e+00 -3.118702654e+00 -3.100685009e+00 2.82 -2.723417775e+00 -3.116086146e+00 -3.122268405e+00 2.84 -2.674545807e+00 -3.108286133e+00 -3.136592883e+00 2.86 -2.623959939e+00 -3.095721950e+00 -3.144323506e+00 2.88 -2.571908461e+00 -3.078799197e+00 -3.146066872e+00 2.90 -2.518626693e+00 -3.057887930e+00 -3.142350166e+00 2.92 -2.464337183e+00 -3.033329457e+00 -3.133637332e+00 2.94 -2.409249892e+00 -3.005441507e+00 -3.120341894e+00 2.96 -2.353562370e+00 -2.974447208e+00 -3.102837036e+00 2.98 -2.297459948e+00 -2.940470452e+00 -3.081463494e+00 3.00 -2.241115952e+00 -2.903764554e+00 -3.056535681e+00 3.02 -2.184685858e+00 -2.864576416e+00 -3.028346401e+00 3.04 -2.128198676e+00 -2.823141232e+00 -2.997170449e+00 3.06 -2.071745332e+00 -2.779683388e+00 -2.963267324e+00 3.08 -2.015453268e+00 -2.734417115e+00 -2.926883254e+00 3.10 -1.959439963e+00 -2.687546962e+00 -2.888252692e+00 3.12 -1.903813311e+00 -2.639268130e+00 -2.847599389e+00 3.14 -1.848648506e+00 -2.589766724e+00 -2.805137173e+00 3.16 -1.793971184e+00 -2.539219939e+00 -2.761070483e+00 3.18 -1.739858297e+00 -2.487796209e+00 -2.715594745e+00 3.20 -1.686384244e+00 -2.435655334e+00 -2.668896629e+00 3.22 -1.633616085e+00 -2.382948607e+00 -2.621154223e+00 3.24 -1.581613921e+00 -2.329818938e+00 -2.572537158e+00 3.26 -1.530427622e+00 -2.276400988e+00 -2.523196441e+00 3.28 -1.480080531e+00 -2.222821318e+00 -2.473107060e+00 3.30 -1.430610304e+00 -2.169198550e+00 -2.422334994e+00 3.32 -1.382053635e+00 -2.115643546e+00 -2.371013645e+00 3.34 -1.334442132e+00 -2.062259606e+00 -2.319269158e+00 3.36 -1.287802648e+00 -2.009142676e+00 -2.267220569e+00 3.38 -1.242157601e+00 -1.956381570e+00 -2.214979952e+00 3.40 -1.197525282e+00 -1.904058212e+00 -2.162652577e+00 3.42 -1.153920149e+00 -1.852247877e+00 -2.110337079e+00 3.44 -1.111353112e+00 -1.801019452e+00 -2.058125634e+00 3.46 -1.069831806e+00 -1.750422396e+00 -2.006104145e+00 3.48 -1.029360845e+00 -1.700400929e+00 -1.954352438e+00 3.50 -9.899420729e-01 -1.650976709e+00 -1.902944460e+00 3.52 -9.515747950e-01 -1.602197129e+00 -1.851948490e+00 3.54 -9.142559989e-01 -1.554104849e+00 -1.801427353e+00 3.56 -8.779805644e-01 -1.506738041e+00 -1.751438633e+00 3.58 -8.427414598e-01 -1.460130630e+00 -1.702034896e+00 3.60 -8.085299278e-01 -1.414312524e+00 -1.653263910e+00 3.62 -7.753356591e-01 -1.369309845e+00 -1.605168864e+00 3.64 -7.431469560e-01 -1.325145154e+00 -1.557788593e+00 3.66 -7.119508848e-01 -1.281837666e+00 -1.511157791e+00 3.68 -6.817334181e-01 -1.239403463e+00 -1.465307231e+00 3.70 -6.524795679e-01 -1.197855693e+00 -1.420263974e+00 3.72 -6.241735086e-01 -1.157204772e+00 -1.376051580e+00 3.74 -5.967986918e-01 -1.117458569e+00 -1.332690312e+00 3.76 -5.703379524e-01 -1.078622588e+00 -1.290197328e+00 3.78 -5.447736068e-01 -1.040700141e+00 -1.248586880e+00 3.80 -5.200875432e-01 -1.003692515e+00 -1.207870498e+00 3.82 -4.962613053e-01 -9.675991264e-01 -1.168057167e+00 3.84 -4.732761683e-01 -9.324176760e-01 -1.129153506e+00 3.86 -4.511132099e-01 -8.981442881e-01 -1.091163927e+00 3.88 -4.297533737e-01 -8.647736468e-01 -1.054090800e+00 3.90 -4.091775283e-01 -8.322991240e-01 -1.017934603e+00 3.92 -3.893665205e-01 -8.007129001e-01 -9.826940701e-01 3.94 -3.703012233e-01 -7.700060780e-01 -9.483663271e-01 3.96 -3.519625800e-01 -7.401687902e-01 -9.149470254e-01 3.98 -3.343316436e-01 -7.111902995e-01 -8.824304671e-01 4.00 -3.173896118e-01 -6.830590939e-01 -8.507911748e-01 4.02 -3.011178592e-01 -6.557629751e-01 -8.199700674e-01 4.04 -2.854979650e-01 -6.292891406e-01 -7.899553480e-01 4.06 -2.705117383e-01 -6.036242622e-01 -7.607389654e-01 4.08 -2.561412402e-01 -5.787545569e-01 -7.323120678e-01 4.10 -2.423688026e-01 -5.546658547e-01 -7.046650839e-01 4.12 -2.291770453e-01 -5.313436603e-01 -6.777877999e-01 4.14 -2.165488901e-01 -5.087732113e-01 -6.516694305e-01 4.16 -2.044675734e-01 -4.869395313e-01 -6.262986869e-01 4.18 -1.929166559e-01 -4.658274791e-01 -6.016638387e-01 4.20 -1.818800316e-01 -4.454217946e-01 -5.777527736e-01 4.22 -1.713419341e-01 -4.257071402e-01 -5.545530511e-01 4.24 -1.612869418e-01 -4.066681394e-01 -5.320519544e-01 4.26 -1.516999824e-01 -3.882894118e-01 -5.102365367e-01 4.28 -1.425663348e-01 -3.705556055e-01 -4.890936662e-01 4.30 -1.338716307e-01 -3.534514259e-01 -4.686100659e-01 4.32 -1.256018554e-01 -3.369616627e-01 -4.487723516e-01 4.34 -1.177433470e-01 -3.210712136e-01 -4.295670667e-01 4.36 -1.102827950e-01 -3.057651061e-01 -4.109807140e-01 4.38 -1.032072383e-01 -2.910285173e-01 -3.929997849e-01 4.40 -9.650406250e-02 -2.768467908e-01 -3.756107869e-01 4.42 -9.016099655e-02 -2.632054529e-01 -3.588002674e-01 4.44 -8.416610863e-02 -2.500902256e-01 -3.425548371e-01 4.46 -7.850780200e-02 -2.374870395e-01 -3.268611896e-01 4.48 -7.317481016e-02 -2.253820439e-01 -3.117061206e-01 4.50 -6.815619171e-02 -2.137616161e-01 -2.970765443e-01 4.52 -6.344132492e-02 -2.026123692e-01 -2.829595086e-01 4.54 -5.901990206e-02 -1.919211588e-01 -2.693422084e-01 4.56 -5.488192368e-02 -1.816750886e-01 -2.562119982e-01 4.58 -5.101769249e-02 -1.718615145e-01 -2.435564024e-01 4.60 -4.741780588e-02 -1.624680489e-01 -2.313631247e-01 4.62 -4.405458799e-02 -1.534825623e-01 -2.196200567e-01 4.64 -4.087478054e-02 -1.448931861e-01 -2.083152848e-01 4.66 -3.787012214e-02 -1.366883133e-01 -1.974370965e-01 4.68 -3.503467121e-02 -1.288565989e-01 -1.869739857e-01 4.70 -3.236245550e-02 -1.213869600e-01 -1.769146568e-01 4.72 -2.984793885e-02 -1.142685750e-01 -1.672480286e-01 4.74 -2.748588009e-02 -1.074908823e-01 -1.579632368e-01 4.76 -2.527115850e-02 -1.010435788e-01 -1.490496364e-01 4.78 -2.319878114e-02 -9.491661770e-02 -1.404968030e-01 4.80 -2.126388824e-02 -8.910020635e-02 -1.322945339e-01 4.82 -1.946167695e-02 -8.358480321e-02 -1.244328483e-01 4.84 -1.778731084e-02 -7.836111499e-02 -1.169019875e-01 4.86 -1.623645430e-02 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