# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlAu3 # 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 2024-04-11 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.337173480e+02 nan nan 1.16 3.081338649e+02 nan nan 1.18 2.845777255e+02 nan nan 1.20 2.628683662e+02 nan nan 1.22 2.428449950e+02 nan nan 1.24 2.243636690e+02 nan nan 1.26 2.072937764e+02 nan nan 1.28 1.915167666e+02 2.912382509e+02 3.323446866e+02 1.30 1.769250362e+02 2.707430668e+02 3.094784026e+02 1.32 1.634197618e+02 2.517156836e+02 2.882340536e+02 1.34 1.509101328e+02 2.340408198e+02 2.684811986e+02 1.36 1.393146162e+02 2.176128394e+02 2.501005852e+02 1.38 1.285614338e+02 2.023329464e+02 2.329861693e+02 1.40 1.185864625e+02 1.881093180e+02 2.170452927e+02 1.42 1.093302542e+02 1.748587614e+02 2.021950348e+02 1.44 1.007367398e+02 1.625082811e+02 1.883576456e+02 1.46 9.275382978e+01 1.509950104e+02 1.754586295e+02 1.48 8.533422364e+01 1.402636057e+02 1.634274528e+02 1.50 7.843515525e+01 1.302623048e+02 1.521987368e+02 1.52 7.201721389e+01 1.209402298e+02 1.417126142e+02 1.54 6.604326518e+01 1.122471317e+02 1.319142090e+02 1.56 6.047826364e+01 1.041345503e+02 1.227528756e+02 1.58 5.528982906e+01 9.655697864e+01 1.141817916e+02 1.60 5.047111633e+01 8.947257834e+01 1.061579162e+02 1.62 4.602012280e+01 8.284360220e+01 9.864203603e+01 1.64 4.191005726e+01 7.663660048e+01 9.159877382e+01 1.66 3.811770057e+01 7.082225579e+01 8.499646156e+01 1.68 3.461975455e+01 6.537467997e+01 7.880662220e+01 1.70 3.139405941e+01 6.027031210e+01 7.300300324e+01 1.72 2.841961831e+01 5.548692146e+01 6.756058093e+01 1.74 2.567677195e+01 5.101833111e+01 6.245505366e+01 1.76 2.314738809e+01 4.686494547e+01 5.766291429e+01 1.78 2.081494259e+01 4.300688992e+01 5.316290603e+01 1.80 1.866448131e+01 3.942379201e+01 4.896063869e+01 1.82 1.668249505e+01 3.609549865e+01 4.504562612e+01 1.84 1.485672382e+01 3.300290139e+01 4.139851473e+01 1.86 1.317590057e+01 3.012848483e+01 3.800247889e+01 1.88 1.162948573e+01 2.745642883e+01 3.484165634e+01 1.90 1.020748102e+01 2.497265035e+01 3.190178266e+01 1.92 8.900379254e+00 2.266471996e+01 2.916946908e+01 1.94 7.699223910e+00 2.052162812e+01 2.663161023e+01 1.96 6.595698831e+00 1.853342872e+01 2.427515940e+01 1.98 5.582181566e+00 1.669084266e+01 2.208726722e+01 2.00 4.651741291e+00 1.498492697e+01 2.005558612e+01 2.02 3.798096304e+00 1.340688356e+01 1.816853466e+01 2.04 3.015553377e+00 1.194802373e+01 1.641542794e+01 2.06 2.298943355e+00 1.059985177e+01 1.478648649e+01 2.08 1.643557969e+00 9.354202741e+00 1.327278003e+01 2.10 1.045087409e+00 8.203370369e+00 1.186615809e+01 2.12 4.995571244e-01 7.140187537e+00 1.055919326e+01 2.14 3.264348448e-03 6.158052092e+00 9.345138676e+00 2.16 -4.472811697e-01 5.250910933e+00 8.217888220e+00 2.18 -8.554039438e-01 4.413221448e+00 7.171925060e+00 2.20 -1.224288370e+00 3.639906875e+00 6.202247681e+00 2.22 -1.556979542e+00 2.926315501e+00 5.304270427e+00 2.24 -1.856364342e+00 2.268186571e+00 4.473708188e+00 2.26 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-3.764366246e+00 -3.428161278e+00 -3.041574553e+00 2.64 -3.751020387e+00 -3.506101472e+00 -3.174727932e+00 2.66 -3.730867809e+00 -3.572390831e+00 -3.292912576e+00 2.68 -3.704354966e+00 -3.628168198e+00 -3.397035453e+00 2.70 -3.671985065e+00 -3.674438258e+00 -3.487918341e+00 2.72 -3.634308494e+00 -3.712165413e+00 -3.566312317e+00 2.74 -3.591894502e+00 -3.742111572e+00 -3.632913271e+00 2.76 -3.545315469e+00 -3.765015265e+00 -3.688379205e+00 2.78 -3.495133454e+00 -3.781872245e+00 -3.733349592e+00 2.80 -3.441888679e+00 -3.792749280e+00 -3.768466097e+00 2.82 -3.386089804e+00 -3.797688127e+00 -3.794543121e+00 2.84 -3.328206629e+00 -3.796777129e+00 -3.812784900e+00 2.86 -3.268665970e+00 -3.790142207e+00 -3.824020886e+00 2.88 -3.207850567e+00 -3.777939261e+00 -3.828542588e+00 2.90 -3.146099785e+00 -3.760341126e+00 -3.826764670e+00 2.92 -3.083710659e+00 -3.737542286e+00 -3.819186716e+00 2.94 -3.020938647e+00 -3.709775070e+00 -3.806347850e+00 2.96 -2.957998376e+00 -3.677306158e+00 -3.788782966e+00 2.98 -2.895065536e+00 -3.640437665e+00 -3.766984715e+00 3.00 -2.832280432e+00 -3.599512812e+00 -3.741372779e+00 3.02 -2.769753221e+00 -3.554918791e+00 -3.712312823e+00 3.04 -2.707570100e+00 -3.507084308e+00 -3.680113386e+00 3.06 -2.645799578e+00 -3.456469955e+00 -3.645032695e+00 3.08 -2.584498039e+00 -3.403551294e+00 -3.607291266e+00 3.10 -2.523714233e+00 -3.348796931e+00 -3.567083635e+00 3.12 -2.463492583e+00 -3.292645562e+00 -3.524587649e+00 3.14 -2.403875420e+00 -3.235486613e+00 -3.479970901e+00 3.16 -2.344904342e+00 -3.177647880e+00 -3.433394572e+00 3.18 -2.286620860e+00 -3.119391664e+00 -3.385015262e+00 3.20 -2.229066490e+00 -3.060918412e+00 -3.334985449e+00 3.22 -2.172282388e+00 -3.002375580e+00 -3.283453148e+00 3.24 -2.116308648e+00 -2.943868949e+00 -3.230561187e+00 3.26 -2.061183357e+00 -2.885474073e+00 -3.176446471e+00 3.28 -2.006941522e+00 -2.827246356e+00 -3.121239454e+00 3.30 -1.953614015e+00 -2.769229094e+00 -3.065064012e+00 3.32 -1.901226627e+00 -2.711459404e+00 -3.008037857e+00 3.34 -1.849799361e+00 -2.653972302e+00 -2.950273593e+00 3.36 -1.799346027e+00 -2.596803307e+00 -2.891880478e+00 3.38 -1.749874187e+00 -2.539989940e+00 -2.832966861e+00 3.40 -1.701385463e+00 -2.483572394e+00 -2.773643188e+00 3.42 -1.653876168e+00 -2.427593612e+00 -2.714025290e+00 3.44 -1.607338254e+00 -2.372098895e+00 -2.654237512e+00 3.46 -1.561760343e+00 -2.317135214e+00 -2.594415094e+00 3.48 -1.517128921e+00 -2.262750283e+00 -2.534705107e+00 3.50 -1.473429439e+00 -2.208991520e+00 -2.475265360e+00 3.52 -1.430647247e+00 -2.155904976e+00 -2.416260959e+00 3.54 -1.388768284e+00 -2.103534312e+00 -2.357858522e+00 3.56 -1.347779453e+00 -2.051919875e+00 -2.300218865e+00 3.58 -1.307668679e+00 -2.001097920e+00 -2.243489105e+00 3.60 -1.268424685e+00 -1.951099989e+00 -2.187795509e+00 3.62 -1.230036532e+00 -1.901952456e+00 -2.133238221e+00 3.64 -1.192493024e+00 -1.853676226e+00 -2.079888542e+00 3.66 -1.155782061e+00 -1.806286566e+00 -2.027788911e+00 3.68 -1.119890014e+00 -1.759793074e+00 -1.976955180e+00 3.70 -1.084801209e+00 -1.714199748e+00 -1.927380489e+00 3.72 -1.050497550e+00 -1.669505170e+00 -1.879039937e+00 3.74 -1.016958328e+00 -1.625702781e+00 -1.831895368e+00 3.76 -9.841602339e-01 -1.582781257e+00 -1.785899788e+00 3.78 -9.520775770e-01 -1.540724972e+00 -1.741001148e+00 3.80 -9.206827204e-01 -1.499514554e+00 -1.697145427e+00 3.82 -8.899467285e-01 -1.459127492e+00 -1.654279045e+00 3.84 -8.598402195e-01 -1.419538803e+00 -1.612350697e+00 3.86 -8.303344074e-01 -1.380721704e+00 -1.571312722e+00 3.88 -8.014023056e-01 -1.342648266e+00 -1.531122088e+00 3.90 -7.730200407e-01 -1.305290003e+00 -1.491741044e+00 3.92 -7.451681950e-01 -1.268618379e+00 -1.453137480e+00 3.94 -7.178330819e-01 -1.232605216e+00 -1.415285043e+00 3.96 -6.910077544e-01 -1.197222953e+00 -1.378162940e+00 3.98 -6.646926404e-01 -1.162444854e+00 -1.341755581e+00 4.00 -6.388955669e-01 -1.128245124e+00 -1.306051991e+00 4.02 -6.136310446e-01 -1.094599024e+00 -1.271045090e+00 4.04 -5.889187248e-01 -1.061483034e+00 -1.236730878e+00 4.06 -5.647810641e-01 -1.028875126e+00 -1.203107579e+00 4.08 -5.412403681e-01 -9.967552034e-01 -1.170174817e+00 4.10 -5.183155268e-01 -9.651057476e-01 -1.137932838e+00 4.12 -4.960188520e-01 -9.339127383e-01 -1.106381833e+00 4.14 -4.743534566e-01 -9.031666682e-01 -1.075521371e+00 4.16 -4.533115599e-01 -8.728638222e-01 -1.045349952e+00 4.18 -4.328739757e-01 -8.430075298e-01 -1.015864669e+00 4.20 -4.130108670e-01 -8.136093107e-01 -9.870609856e-01 4.22 -3.936836948e-01 -7.846897075e-01 -9.589325887e-01 4.24 -3.748481115e-01 -7.562785974e-01 -9.314713239e-01 4.26 -3.564575331e-01 -7.284147903e-01 -9.046671783e-01 4.28 -3.384670240e-01 -7.011447753e-01 -8.785083029e-01 4.30 -3.208371758e-01 -6.745205787e-01 -8.529810573e-01 4.32 -3.035376755e-01 -6.485968237e-01 -8.280700673e-01 4.34 -2.865502862e-01 -6.234272181e-01 -8.037582841e-01 4.36 -2.698709955e-01 -5.990608116e-01 -7.800270412e-01 4.38 -2.535111535e-01 -5.755384280e-01 -7.568561029e-01 4.40 -2.374973678e-01 -5.528896636e-01 -7.342237040e-01 4.42 -2.218701862e-01 -5.311307645e-01 -7.121065801e-01 4.44 -2.066815194e-01 -5.102635595e-01 -6.904799893e-01 4.46 -1.919910046e-01 -4.902754655e-01 -6.693177306e-01 4.48 -1.778616112e-01 -4.711404464e-01 -6.485921613e-01 4.50 -1.643549100e-01 -4.528206994e-01 -6.282742223e-01 4.52 -1.515264802e-01 -4.352688014e-01 -6.083334649e-01 4.54 -1.394219469e-01 -4.184300493e-01 -5.887381697e-01 4.56 -1.280739622e-01 -4.022447738e-01 -5.694553649e-01 4.58 -1.175004499e-01 -3.866504677e-01 -5.504510392e-01 4.60 -1.077041030e-01 -3.715836408e-01 -5.316903490e-01 4.62 -9.867304778e-02 -3.569813701e-01 -5.131379267e-01 4.64 -9.038244805e-02 -3.427825644e-01 -4.947582959e-01 4.66 -8.279676174e-02 -3.289289901e-01 -4.765164124e-01 4.68 -7.587234236e-02 -3.153661204e-01 -4.583783492e-01 4.70 -6.956008949e-02 -3.020438747e-01 -4.403121418e-01 4.72 -6.380770056e-02 -2.889173063e-01 -4.222888007e-01 4.74 -5.856239452e-02 -2.759472844e-01 -4.042834901e-01 4.76 -5.377265252e-02 -2.631011978e-01 -3.862768527e-01 4.78 -4.938933473e-02 -2.503536843e-01 -3.682564447e-01 4.80 -4.536678373e-02 -2.376873596e-01 -3.502182157e-01 4.82 -4.166356390e-02 -2.250935449e-01 -3.321679449e-01 4.84 -3.824289088e-02 -2.125728144e-01 -3.141225146e-01 4.86 -3.507280287e-02 -2.001354269e-01 -2.961108813e-01 4.88 -3.212612523e-02 -1.878014272e-01 -2.781745908e-01 4.90 -2.938026510e-02 -1.756003709e-01 -2.603676907e-01 4.92 -2.681687020e-02 -1.635705829e-01 -2.427559166e-01 4.94 -2.442138069e-02 -1.517579057e-01 -2.254150820e-01 4.96 -2.218250106e-02 -1.402139385e-01 -2.084286729e-01 4.98 -2.009154606e-02 -1.289938311e-01 -1.918847380e-01 5.00 -1.814164667e-02 -1.181537532e-01 -1.758722563e-01 5.02 -1.632789822e-02 -1.077482123e-01 -1.604772437e-01 5.04 -1.464634194e-02 -9.782742983e-02 -1.457789073e-01 5.06 -1.309339612e-02 -8.843498241e-02 -1.318461678e-01 5.08 -1.166545768e-02 -7.960589013e-02 -1.187348333e-01 5.10 -1.035860441e-02 -7.136529576e-02 -1.064856336e-01 5.12 -9.168402674e-03 -6.372779252e-02 -9.512323041e-02 5.14 -8.089815983e-03 -5.669741206e-02 -8.465619548e-02 5.16 -7.117201633e-03 -5.026820017e-02 -7.507786319e-02 5.18 -6.244377098e-03 -4.442525614e-02 -6.636789048e-02 5.20 -5.464735276e-03 -3.914607533e-02 -5.849431099e-02 5.22 -4.771387815e-03 -3.440173404e-02 -5.141587805e-02 5.24 -4.157318060e-03 -3.015943427e-02 -4.508447034e-02 5.26 -3.615528847e-03 -2.638357080e-02 -3.944738032e-02 5.28 -3.139174603e-03 -2.303688233e-02 -3.444920630e-02 5.30 -2.721671388e-03 -2.008167485e-02 -3.003423284e-02 5.32 -2.356782062e-03 -1.748046024e-02 -2.614756986e-02 5.34 -2.038676547e-03 -1.519755115e-02 -2.273601845e-02 5.36 -1.761969111e-03 -1.319933541e-02 -1.974874299e-02 5.38 -1.521735746e-03 -1.145433089e-02 -1.713917563e-02 5.40 -1.313515229e-03 -9.933449757e-03 -1.486424265e-02 5.42 -1.133297551e-03 -8.610118984e-03 -1.288447223e-02 5.44 -9.775031060e-04 -7.460291962e-03 -1.116406646e-02 5.46 -8.429556555e-04 -6.462381117e-03 -9.670837558e-03 5.48 -7.268515281e-04 -5.597136493e-03 -8.376050876e-03 5.50 -6.267270555e-04 -4.847490124e-03 -7.254208344e-03 5.52 -5.404257396e-04 -4.198381526e-03 -6.282797980e-03 5.54 -4.660662458e-04 -3.636575748e-03 -5.442024892e-03 5.56 -4.020119721e-04 -3.150482190e-03 -4.714559305e-03 5.58 -3.468426685e-04 -2.729979834e-03 -4.085254883e-03 5.60 -2.993283670e-04 -2.366252544e-03 -3.540919792e-03 5.62 -2.584057268e-04 -2.051636556e-03 -3.070085425e-03 5.64 -2.231567819e-04 -1.779481203e-03 -2.662798610e-03 5.66 -1.927900061e-04 -1.544023105e-03 -2.310433701e-03 5.68 -1.666235543e-04 -1.340273519e-03 -2.005524217e-03 5.70 -1.440705160e-04 -1.163918210e-03 -1.741613105e-03 5.72 -1.246259999e-04 -1.011228965e-03 -1.513120379e-03 5.74 -1.078558676e-04 -8.789857930e-04 -1.315226710e-03 5.76 -9.338693775e-05 -7.644087841e-04 -1.143771454e-03 5.78 -8.089849304e-05 -6.650986411e-04 -9.951636542e-04 5.80 -7.011493374e-05 -5.789849199e-04 -8.663045692e-04 5.82 -6.079943521e-05 -5.042810872e-04 -7.545204030e-04 5.84 -5.274848088e-05 -4.394455706e-04 -6.575040055e-04 5.86 -4.578715620e-05 -3.831480573e-04 -5.732644272e-04 5.88 -3.976510178e-05 -3.342403714e-04 -5.000833262e-04 5.90 -3.455303646e-05 -2.917313332e-04 -4.364773383e-04 5.92 -3.003977194e-05 -2.547650762e-04 -3.811656195e-04 5.94 -2.612965096e-05 -2.226023552e-04 -3.330418701e-04 5.96 -2.274034947e-05 -1.946044441e-04 -2.911502312e-04 5.98 -1.980099185e-05 -1.702192674e-04 -2.546645275e-04 6.00 -1.725053462e-05 -1.489694586e-04 -2.228703941e-04