# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au3Ni # 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 8.610016331e+02 nan nan 0.92 7.795320271e+02 nan nan 0.94 7.065525981e+02 nan nan 0.96 6.411103437e+02 nan nan 0.98 5.823662467e+02 8.645032128e+02 nan 1.00 5.295754765e+02 7.889467126e+02 8.982110699e+02 1.02 4.820858912e+02 7.206824870e+02 8.217806226e+02 1.04 4.393189144e+02 6.589514407e+02 7.524990929e+02 1.06 4.007635629e+02 6.030764359e+02 6.896462975e+02 1.08 3.659647589e+02 5.524560835e+02 6.325763378e+02 1.10 3.345207093e+02 5.065566347e+02 5.807140163e+02 1.12 3.060733159e+02 4.648951551e+02 5.335478295e+02 1.14 2.803077296e+02 4.270444004e+02 4.906148493e+02 1.16 2.569427707e+02 3.926244745e+02 4.515032416e+02 1.18 2.357282914e+02 3.612930892e+02 4.158441751e+02 1.20 2.164412480e+02 3.327430020e+02 3.833050089e+02 1.22 1.988831582e+02 3.066999724e+02 3.535855054e+02 1.24 1.828789453e+02 2.829190200e+02 3.264177601e+02 1.26 1.682718412e+02 2.611798001e+02 3.015611686e+02 1.28 1.549213294e+02 2.412852487e+02 2.787964154e+02 1.30 1.427037747e+02 2.230587024e+02 2.579272252e+02 1.32 1.315087698e+02 2.063407965e+02 2.387778815e+02 1.34 1.212379620e+02 1.909887482e+02 2.211897651e+02 1.36 1.118020784e+02 1.768754753e+02 2.050188542e+02 1.38 1.031231505e+02 1.638868898e+02 1.901354674e+02 1.40 9.513061726e+01 1.519206168e+02 1.764224905e+02 1.42 8.776192541e+01 1.408842984e+02 1.637756154e+02 1.44 8.096058957e+01 1.306940076e+02 1.521002031e+02 1.46 7.467587247e+01 1.212745500e+02 1.413107433e+02 1.48 6.886275555e+01 1.125580714e+02 1.313302059e+02 1.50 6.348111360e+01 1.044842795e+02 1.220886690e+02 1.52 5.849443055e+01 9.699885809e+01 1.135229603e+02 1.54 5.386930591e+01 9.005240877e+01 1.055751439e+02 1.56 4.957635192e+01 8.360016278e+01 9.819399868e+01 1.58 4.558884919e+01 7.760175474e+01 9.133368896e+01 1.60 4.188265023e+01 7.202063926e+01 8.495188128e+01 1.62 3.843555223e+01 6.682377701e+01 7.901070209e+01 1.64 3.522754742e+01 6.198039562e+01 7.347456599e+01 1.66 3.224032347e+01 5.746353681e+01 6.831186248e+01 1.68 2.945709904e+01 5.324850979e+01 6.349375768e+01 1.70 2.686306502e+01 4.931252356e+01 5.899395031e+01 1.72 2.444796387e+01 4.563423800e+01 5.478860667e+01 1.74 2.217349825e+01 4.219576337e+01 5.085621888e+01 1.76 2.005753303e+01 3.897982435e+01 4.717691033e+01 1.78 1.807424441e+01 3.597059614e+01 4.373246468e+01 1.80 1.621830176e+01 3.315356055e+01 4.050615688e+01 1.82 1.448358164e+01 3.051537963e+01 3.748290863e+01 1.84 1.286430373e+01 2.804378299e+01 3.464885970e+01 1.86 1.135510695e+01 2.572990567e+01 3.199041627e+01 1.88 9.950649505e+00 2.356001806e+01 2.949573319e+01 1.90 8.645696096e+00 2.150636064e+01 2.715407908e+01 1.92 7.435149809e+00 1.958678240e+01 2.495925940e+01 1.94 6.314053324e+00 1.777949727e+01 2.287817506e+01 1.96 5.277598362e+00 1.607983201e+01 2.093458926e+01 1.98 4.321703110e+00 1.448329969e+01 1.909982871e+01 2.00 3.441255152e+00 1.298539805e+01 1.736998124e+01 2.02 2.631835642e+00 1.158177431e+01 1.574086180e+01 2.04 1.889242701e+00 1.026815865e+01 1.420833867e+01 2.06 1.209494758e+00 9.040369206e+00 1.276833778e+01 2.08 5.885515497e-01 7.894308773e+00 1.141685032e+01 2.10 2.303676316e-02 6.825856247e+00 1.014989288e+01 2.12 -4.905988689e-01 5.831321974e+00 8.963283403e+00 2.14 -9.557259781e-01 4.906943304e+00 7.853625172e+00 2.16 -1.375532129e+00 4.049614615e+00 6.817364817e+00 2.18 -1.753057331e+00 3.255076180e+00 5.850815819e+00 2.20 -2.091115399e+00 2.520055136e+00 4.950483172e+00 2.22 -2.392082790e+00 1.841118368e+00 4.113619782e+00 2.24 -2.658945030e+00 1.215245479e+00 3.336267267e+00 2.26 -2.894257868e+00 6.394995699e-01 2.615329523e+00 2.28 -3.100375865e+00 1.109963131e-01 1.947784987e+00 2.30 -3.279523729e+00 -3.730306588e-01 1.330753329e+00 2.32 -3.433799891e+00 -8.152316393e-01 7.614740260e-01 2.34 -3.565180244e+00 -1.218142971e+00 2.372846983e-01 2.36 -3.675522565e+00 -1.584189354e+00 -2.443707598e-01 2.38 -3.766692043e+00 -1.915686265e+00 -6.859438170e-01 2.40 -3.840263825e+00 -2.214669678e+00 -1.089785240e+00 2.42 -3.897830402e+00 -2.483148090e+00 -1.458390514e+00 2.44 -3.940816999e+00 -2.723420164e+00 -1.793633946e+00 2.46 -3.970226105e+00 -2.937377903e+00 -2.097531716e+00 2.48 -3.987291792e+00 -3.126829453e+00 -2.371605918e+00 2.50 -3.993547097e+00 -3.293489658e+00 -2.618495987e+00 2.52 -3.989864213e+00 -3.439192621e+00 -2.839718979e+00 2.54 -3.977212014e+00 -3.565403686e+00 -3.036942115e+00 2.56 -3.956503717e+00 -3.673465959e+00 -3.211777348e+00 2.58 -3.928586938e+00 -3.764740338e+00 -3.365754393e+00 2.60 -3.893852015e+00 -3.840509502e+00 -3.500323249e+00 2.62 -3.853303117e+00 -3.901980733e+00 -3.616856766e+00 2.64 -3.807718281e+00 -3.950288858e+00 -3.716653199e+00 2.66 -3.757690367e+00 -3.986498407e+00 -3.800938797e+00 2.68 -3.704160919e+00 -4.011369081e+00 -3.870870429e+00 2.70 -3.647292915e+00 -4.026006125e+00 -3.927538213e+00 2.72 -3.587508840e+00 -4.031357960e+00 -3.971968154e+00 2.74 -3.525232448e+00 -4.028243576e+00 -4.005121416e+00 2.76 -3.460851545e+00 -4.017426824e+00 -4.027625195e+00 2.78 -3.394869359e+00 -3.999670503e+00 -4.040902473e+00 2.80 -3.327748486e+00 -3.975734274e+00 -4.045996785e+00 2.82 -3.259112215e+00 -3.945968783e+00 -4.043123704e+00 2.84 -3.188941802e+00 -3.910692359e+00 -4.032974269e+00 2.86 -3.118224700e+00 -3.870837002e+00 -4.016195132e+00 2.88 -3.047123422e+00 -3.826877580e+00 -3.993389363e+00 2.90 -2.975840043e+00 -3.779323173e+00 -3.964960536e+00 2.92 -2.904551837e+00 -3.729153808e+00 -3.931306780e+00 2.94 -2.833418309e+00 -3.676119473e+00 -3.893234950e+00 2.96 -2.762584085e+00 -3.620844397e+00 -3.851188198e+00 2.98 -2.692646784e+00 -3.563371714e+00 -3.805587108e+00 3.00 -2.623452841e+00 -3.504009348e+00 -3.756822196e+00 3.02 -2.554865182e+00 -3.443039700e+00 -3.705255735e+00 3.04 -2.486976422e+00 -3.380731837e+00 -3.651223492e+00 3.06 -2.419868498e+00 -3.317178235e+00 -3.595036371e+00 3.08 -2.353622141e+00 -3.252147245e+00 -3.536982010e+00 3.10 -2.288399016e+00 -3.186291271e+00 -3.477326224e+00 3.12 -2.224140156e+00 -3.119991742e+00 -3.416313544e+00 3.14 -2.160893888e+00 -3.053399351e+00 -3.354162698e+00 3.16 -2.098701919e+00 -2.986668407e+00 -3.290674796e+00 3.18 -2.037597223e+00 -2.919937388e+00 -3.225983242e+00 3.20 -1.977608631e+00 -2.853332165e+00 -3.160820347e+00 3.22 -1.918793201e+00 -2.786966918e+00 -3.095927899e+00 3.24 -1.861103804e+00 -2.720945002e+00 -3.030947724e+00 3.26 -1.804428381e+00 -2.655359786e+00 -2.965859569e+00 3.28 -1.748862094e+00 -2.590295449e+00 -2.900788190e+00 3.30 -1.694514010e+00 -2.525827548e+00 -2.835847438e+00 3.32 -1.641380520e+00 -2.462023633e+00 -2.771141023e+00 3.34 -1.589439543e+00 -2.398944044e+00 -2.706763240e+00 3.36 -1.538702719e+00 -2.336642594e+00 -2.642799676e+00 3.38 -1.489193625e+00 -2.275166360e+00 -2.579328298e+00 3.40 -1.440898580e+00 -2.214593193e+00 -2.516469161e+00 3.42 -1.393745095e+00 -2.155413985e+00 -2.454357755e+00 3.44 -1.347678903e+00 -2.097143149e+00 -2.392920121e+00 3.46 -1.302660335e+00 -2.039809018e+00 -2.332207671e+00 3.48 -1.258710392e+00 -1.983433035e+00 -2.272265415e+00 3.50 -1.215868521e+00 -1.928066563e+00 -2.213134038e+00 3.52 -1.174157887e+00 -1.873688111e+00 -2.154847963e+00 3.54 -1.133548791e+00 -1.820197900e+00 -2.097438721e+00 3.56 -1.094013300e+00 -1.767626508e+00 -2.040929836e+00 3.58 -1.055558571e+00 -1.716086086e+00 -1.985348344e+00 3.60 -1.018172408e+00 -1.665604990e+00 -1.930740385e+00 3.62 -9.818566430e-01 -1.616165043e+00 -1.877067309e+00 3.64 -9.464399063e-01 -1.567777653e+00 -1.824239470e+00 3.66 -9.118710369e-01 -1.520452959e+00 -1.772309740e+00 3.68 -8.782728670e-01 -1.474168922e+00 -1.721378135e+00 3.70 -8.456544778e-01 -1.428889637e+00 -1.671465981e+00 3.72 -8.141207011e-01 -1.384585855e+00 -1.622557185e+00 3.74 -7.837660413e-01 -1.341230448e+00 -1.574647865e+00 3.76 -7.546544769e-01 -1.298826597e+00 -1.527760219e+00 3.78 -7.270072463e-01 -1.257383944e+00 -1.481909357e+00 3.80 -7.006659469e-01 -1.216919382e+00 -1.437054430e+00 3.82 -6.753461882e-01 -1.177417663e+00 -1.393139825e+00 3.84 -6.508199483e-01 -1.138871673e+00 -1.350128608e+00 3.86 -6.267680354e-01 -1.101292555e+00 -1.308000514e+00 3.88 -6.029649650e-01 -1.064673569e+00 -1.266782531e+00 3.90 -5.792645676e-01 -1.029013675e+00 -1.226507578e+00 3.92 -5.555818864e-01 -9.941788114e-01 -1.187193659e+00 3.94 -5.318784468e-01 -9.601497552e-01 -1.149088117e+00 3.96 -5.081503373e-01 -9.270140540e-01 -1.111948516e+00 3.98 -4.844186234e-01 -8.947926221e-01 -1.075718138e+00 4.00 -4.606649922e-01 -8.635021520e-01 -1.040405354e+00 4.02 -4.369233808e-01 -8.331441087e-01 -1.006002877e+00 4.04 -4.133576332e-01 -8.037586875e-01 -9.724309876e-01 4.06 -3.901194387e-01 -7.755232669e-01 -9.395349669e-01 4.08 -3.673894801e-01 -7.484258201e-01 -9.074273348e-01 4.10 -3.453038429e-01 -7.222812642e-01 -8.762073269e-01 4.12 -3.239613651e-01 -6.969730804e-01 -8.459141425e-01 4.14 -3.034307032e-01 -6.724353921e-01 -8.165449479e-01 4.16 -2.837562006e-01 -6.485841155e-01 -7.881741181e-01 4.18 -2.649627515e-01 -6.256127773e-01 -7.608839613e-01 4.20 -2.470598251e-01 -6.029543424e-01 -7.348715526e-01 4.22 -2.300447827e-01 -5.804803515e-01 -7.099038035e-01 4.24 -2.139056010e-01 -5.581039939e-01 -6.857232438e-01 4.26 -1.986231046e-01 -5.357772394e-01 -6.621450096e-01 4.28 -1.841824125e-01 -5.134663000e-01 -6.390985440e-01 4.30 -1.710333458e-01 -4.911258063e-01 -6.164101306e-01 4.32 -1.596502210e-01 -4.688535383e-01 -5.939208481e-01 4.34 -1.488988113e-01 -4.467515274e-01 -5.715262394e-01 4.36 -1.387635616e-01 -4.249065124e-01 -5.491646775e-01 4.38 -1.292146587e-01 -4.033674927e-01 -5.268077263e-01 4.40 -1.202227715e-01 -3.821937459e-01 -5.044521925e-01 4.42 -1.117591100e-01 -3.614506400e-01 -4.820859270e-01 4.44 -1.037956225e-01 -3.412467622e-01 -4.596744892e-01 4.46 -9.630514021e-02 -3.216655367e-01 -4.373688094e-01 4.48 -8.926147971e-02 -3.027669634e-01 -4.153097703e-01 4.50 -8.263951057e-02 -2.845918494e-01 -3.936108482e-01 4.52 -7.641982245e-02 -2.671653670e-01 -3.723301318e-01 4.54 -7.092404627e-02 -2.505000424e-01 -3.515549773e-01 4.56 -6.623175488e-02 -2.345982607e-01 -3.313808892e-01 4.58 -6.181265321e-02 -2.194543523e-01 -3.118777835e-01 4.60 -5.765143656e-02 -2.050563310e-01 -2.930945385e-01 4.62 -5.373356686e-02 -1.913873378e-01 -2.750628332e-01 4.64 -5.004525126e-02 -1.784268343e-01 -2.578003776e-01 4.66 -4.657341771e-02 -1.661515834e-01 -2.413136215e-01 4.68 -4.330568828e-02 -1.545364536e-01 -2.256000228e-01 4.70 -4.023035113e-02 -1.435550747e-01 -2.106499425e-01 4.72 -3.733633190e-02 -1.331803673e-01 -1.964482175e-01 4.74 -3.461316493e-02 -1.233849681e-01 -1.829754678e-01 4.76 -3.205096457e-02 -1.141415699e-01 -1.702091750e-01 4.78 -2.964039669e-02 -1.054267381e-01 -1.581299904e-01 4.80 -2.737265098e-02 -9.720234293e-02 -1.467164872e-01 4.82 -2.523941398e-02 -9.074696253e-02 -1.372432841e-01 4.84 -2.323284323e-02 -8.484320818e-02 -1.283115316e-01 4.86 -2.134554210e-02 -7.927199801e-02 -1.198757802e-01 4.88 -1.957053574e-02 -7.401604475e-02 -1.119124176e-01 4.90 -1.790124806e-02 -6.905867093e-02 -1.043981691e-01 4.92 -1.633147986e-02 -6.438389314e-02 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