# 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 = Cu3Pd # 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 1.596363611e+02 nan nan 1.16 1.459423999e+02 nan nan 1.18 1.334007477e+02 nan nan 1.20 1.219089661e+02 nan nan 1.22 1.113741895e+02 nan nan 1.24 1.017108546e+02 nan nan 1.26 9.284083803e+01 nan nan 1.28 8.469340047e+01 1.366777428e+02 1.585529922e+02 1.30 7.720410497e+01 1.257933598e+02 1.463480327e+02 1.32 7.031430940e+01 1.157476820e+02 1.350656508e+02 1.34 6.397186221e+01 1.064748663e+02 1.246273295e+02 1.36 5.813159645e+01 9.791288780e+01 1.149625228e+02 1.38 5.275435730e+01 9.000272960e+01 1.060086260e+02 1.40 4.780502539e+01 8.268895195e+01 9.770970922e+01 1.42 4.325196114e+01 7.592107742e+01 9.001486541e+01 1.44 3.908148741e+01 6.965448670e+01 8.287742506e+01 1.46 3.526639279e+01 6.385005980e+01 7.625501809e+01 1.48 3.177530073e+01 5.847290313e+01 7.010951605e+01 1.50 2.857982454e+01 5.349105079e+01 6.440645915e+01 1.52 2.565451764e+01 4.887466903e+01 5.911428010e+01 1.54 2.297645074e+01 4.459564754e+01 5.420358367e+01 1.56 2.052461951e+01 4.063532406e+01 4.964657402e+01 1.58 1.827951765e+01 3.698000945e+01 4.541679432e+01 1.60 1.622307068e+01 3.360402012e+01 4.149342205e+01 1.62 1.433883757e+01 3.048468335e+01 3.786753641e+01 1.64 1.261221187e+01 2.760268171e+01 3.451729099e+01 1.66 1.103043059e+01 2.494170266e+01 3.142173466e+01 1.68 9.582357959e+00 2.248757051e+01 2.856156509e+01 1.70 8.258121439e+00 2.022725061e+01 2.591870114e+01 1.72 7.048736430e+00 1.814805847e+01 2.347623397e+01 1.74 5.945828376e+00 1.623724982e+01 2.121856375e+01 1.76 4.941479510e+00 1.448201821e+01 1.913143602e+01 1.78 4.028181125e+00 1.286978160e+01 1.720178961e+01 1.80 3.198861814e+00 1.138855782e+01 1.541756452e+01 1.82 2.446939933e+00 1.002724823e+01 1.376765445e+01 1.84 1.766332112e+00 8.775742892e+00 1.224203712e+01 1.86 1.151385852e+00 7.624873523e+00 1.083193604e+01 1.88 5.967712388e-01 6.566309282e+00 9.529819964e+00 1.90 9.739724713e-02 5.592478779e+00 8.329162822e+00 1.92 -3.516094796e-01 4.696545193e+00 7.224044237e+00 1.94 -7.548739822e-01 3.872414479e+00 6.208741126e+00 1.96 -1.116725064e+00 3.114734996e+00 5.277437506e+00 1.98 -1.441152996e+00 2.418848943e+00 4.424121127e+00 2.00 -1.731775931e+00 1.780681709e+00 3.642673658e+00 2.02 -1.991817004e+00 1.196590428e+00 2.927097217e+00 2.04 -2.224104397e+00 6.632129021e-01 2.271769409e+00 2.06 -2.431104090e+00 1.773526772e-01 1.671617437e+00 2.08 -2.614976031e+00 -2.640839073e-01 1.122158979e+00 2.10 -2.777630008e+00 -6.641029480e-01 6.194321223e-01 2.12 -2.920764722e+00 -1.025607621e+00 1.598774424e-01 2.14 -3.045893653e+00 -1.351373428e+00 -2.597704731e-01 2.16 -3.154372282e+00 -1.644031235e+00 -6.425548103e-01 2.18 -3.247434180e+00 -1.906066062e+00 -9.913320003e-01 2.20 -3.326229076e+00 -2.139829983e+00 -1.308782548e+00 2.22 -3.391849526e+00 -2.347561947e+00 -1.597405359e+00 2.24 -3.445366108e+00 -2.531408111e+00 -1.859498093e+00 2.26 -3.488150711e+00 -2.693440620e+00 -2.097129288e+00 2.28 -3.521071721e+00 -2.835674603e+00 -2.312116958e+00 2.30 -3.545547499e+00 -2.960078209e+00 -2.506030313e+00 2.32 -3.561911605e+00 -3.068563555e+00 -2.680220864e+00 2.34 -3.569989305e+00 -3.162948721e+00 -2.835874450e+00 2.36 -3.569897753e+00 -3.244896456e+00 -2.974067662e+00 2.38 -3.562010318e+00 -3.315853315e+00 -3.095813965e+00 2.40 -3.546927741e+00 -3.377017149e+00 -3.202092552e+00 2.42 -3.525411820e+00 -3.429346808e+00 -3.293861539e+00 2.44 -3.498286175e+00 -3.473789192e+00 -3.372063026e+00 2.46 -3.466393089e+00 -3.511182599e+00 -3.437629263e+00 2.48 -3.430449736e+00 -3.541963264e+00 -3.491496107e+00 2.50 -3.391028068e+00 -3.566825394e+00 -3.534623569e+00 2.52 -3.348567964e+00 -3.586137811e+00 -3.568260626e+00 2.54 -3.303400434e+00 -3.599560383e+00 -3.593626145e+00 2.56 -3.255775517e+00 -3.606865920e+00 -3.611660662e+00 2.58 -3.205891207e+00 -3.607941163e+00 -3.623936690e+00 2.60 -3.153920138e+00 -3.602772524e+00 -3.630859298e+00 2.62 -3.100030974e+00 -3.591461029e+00 -3.632558474e+00 2.64 -3.044402395e+00 -3.574190069e+00 -3.629195819e+00 2.66 -2.987229201e+00 -3.551254821e+00 -3.620928982e+00 2.68 -2.928721887e+00 -3.523076416e+00 -3.607932491e+00 2.70 -2.869102259e+00 -3.490141792e+00 -3.590389887e+00 2.72 -2.808597769e+00 -3.452979105e+00 -3.568486383e+00 2.74 -2.747436123e+00 -3.412134476e+00 -3.542482602e+00 2.76 -2.685840239e+00 -3.368140542e+00 -3.512700371e+00 2.78 -2.624022874e+00 -3.321484939e+00 -3.479472345e+00 2.80 -2.562180624e+00 -3.272587561e+00 -3.443132995e+00 2.82 -2.500487975e+00 -3.221792411e+00 -3.404005804e+00 2.84 -2.439092812e+00 -3.169374646e+00 -3.362390735e+00 2.86 -2.378114555e+00 -3.115558518e+00 -3.318556149e+00 2.88 -2.317645330e+00 -3.060539444e+00 -3.272736563e+00 2.90 -2.257753684e+00 -3.004503616e+00 -3.225135323e+00 2.92 -2.198489861e+00 -2.947640692e+00 -3.175930161e+00 2.94 -2.139891605e+00 -2.890147995e+00 -3.125279663e+00 2.96 -2.081989620e+00 -2.832227316e+00 -3.073329403e+00 2.98 -2.024812150e+00 -2.774077182e+00 -3.020217261e+00 3.00 -1.968388303e+00 -2.715884007e+00 -2.966078008e+00 3.02 -1.912749991e+00 -2.657814853e+00 -2.911047422e+00 3.04 -1.857932508e+00 -2.600013232e+00 -2.855266018e+00 3.06 -1.803973899e+00 -2.542597991e+00 -2.798882207e+00 3.08 -1.750913424e+00 -2.485664444e+00 -2.742054235e+00 3.10 -1.698789442e+00 -2.429286658e+00 -2.684950029e+00 3.12 -1.647637096e+00 -2.373519981e+00 -2.627744091e+00 3.14 -1.597486080e+00 -2.318403317e+00 -2.570611086e+00 3.16 -1.548358749e+00 -2.263961008e+00 -2.513716627e+00 3.18 -1.500268683e+00 -2.210204468e+00 -2.457206815e+00 3.20 -1.453219790e+00 -2.157133766e+00 -2.401198779e+00 3.22 -1.407205927e+00 -2.104739427e+00 -2.345774508e+00 3.24 -1.362211012e+00 -2.053004561e+00 -2.290979522e+00 3.26 -1.318209552e+00 -2.001907385e+00 -2.236826705e+00 3.28 -1.275167511e+00 -1.951424020e+00 -2.183304349e+00 3.30 -1.233043464e+00 -1.901531390e+00 -2.130386608e+00 3.32 -1.191789950e+00 -1.852209928e+00 -2.078044287e+00 3.34 -1.151355009e+00 -1.803445819e+00 -2.026254119e+00 3.36 -1.111683854e+00 -1.755232520e+00 -1.975005290e+00 3.38 -1.072720727e+00 -1.707571413e+00 -1.924302666e+00 3.40 -1.034410941e+00 -1.660471543e+00 -1.874166884e+00 3.42 -9.967031910e-01 -1.613948534e+00 -1.824631966e+00 3.44 -9.595521902e-01 -1.568022876e+00 -1.775741436e+00 3.46 -9.229216460e-01 -1.522717814e+00 -1.727543909e+00 3.48 -8.867875366e-01 -1.478057118e+00 -1.680088990e+00 3.50 -8.511415015e-01 -1.434062969e+00 -1.633423969e+00 3.52 -8.159939996e-01 -1.390754148e+00 -1.587591511e+00 3.54 -7.813767101e-01 -1.348144664e+00 -1.542628285e+00 3.56 -7.473435187e-01 -1.306242916e+00 -1.498564347e+00 3.58 -7.139694218e-01 -1.265051397e+00 -1.455423031e+00 3.60 -6.813468599e-01 -1.224566981e+00 -1.413221176e+00 3.62 -6.495793839e-01 -1.184781757e+00 -1.371969515e+00 3.64 -6.187731088e-01 -1.145684396e+00 -1.331673147e+00 3.66 -5.890269802e-01 -1.107261996e+00 -1.292332040e+00 3.68 -5.604232806e-01 -1.069502335e+00 -1.253941551e+00 3.70 -5.330198725e-01 -1.032396394e+00 -1.216492943e+00 3.72 -5.068453665e-01 -9.959409590e-01 -1.179973898e+00 3.74 -4.818978117e-01 -9.601410358e-01 -1.144369036e+00 3.76 -4.581468106e-01 -9.250117282e-01 -1.109660411e+00 3.78 -4.355383926e-01 -8.905792126e-01 -1.075827983e+00 3.80 -4.140016400e-01 -8.568804680e-01 -1.042850039e+00 3.82 -3.934559985e-01 -8.239615416e-01 -1.010703560e+00 3.84 -3.738183394e-01 -7.918743474e-01 -9.793644982e-01 3.86 -3.550090767e-01 -7.606722650e-01 -9.488079634e-01 3.88 -3.369568962e-01 -7.304050713e-01 -9.190083141e-01 3.90 -3.196018653e-01 -7.011139175e-01 -8.899391506e-01 3.92 -3.028968621e-01 -6.728270955e-01 -8.615732266e-01 3.94 -2.868074029e-01 -6.455571948e-01 -8.338822982e-01 3.96 -2.713100719e-01 -6.192999803e-01 -8.068369294e-01 3.98 -2.563898889e-01 -5.940349953e-01 -7.804062858e-01 4.00 -2.420370525e-01 -5.697276031e-01 -7.545579387e-01 4.02 -2.282435709e-01 -5.463319889e-01 -7.292577062e-01 4.04 -2.150002828e-01 -5.237945794e-01 -7.044695576e-01 4.06 -2.022946877e-01 -5.020573850e-01 -6.801556026e-01 4.08 -1.901098424e-01 -4.810608864e-01 -6.562761942e-01 4.10 -1.784243836e-01 -4.607462502e-01 -6.327901672e-01 4.12 -1.672135447e-01 -4.410568113e-01 -6.096552456e-01 4.14 -1.564508904e-01 -4.219388922e-01 -5.868286467e-01 4.16 -1.461103973e-01 -4.033421387e-01 -5.642679126e-01 4.18 -1.361685392e-01 -3.852195986e-01 -5.419319983e-01 4.20 -1.266060447e-01 -3.675277828e-01 -5.197826323e-01 4.22 -1.174090787e-01 -3.502269158e-01 -4.977859518e-01 4.24 -1.085697193e-01 -3.332815129e-01 -4.759143863e-01 4.26 -1.000857158e-01 -3.166613251e-01 -4.541487257e-01 4.28 -9.195963359e-02 -3.003426004e-01 -4.324802592e-01 4.30 -8.419793889e-02 -2.843095144e-01 -4.109128202e-01 4.32 -7.680921829e-02 -2.685555585e-01 -3.894645144e-01 4.34 -6.980269815e-02 -2.530846344e-01 -3.681688729e-01 4.36 -6.318695518e-02 -2.379116016e-01 -3.470751583e-01 4.38 -5.696889015e-02 -2.230620651e-01 -3.262475834e-01 4.40 -5.115300323e-02 -2.085712661e-01 -3.057632891e-01 4.42 -4.574095028e-02 -1.944820536e-01 -2.857090651e-01 4.44 -4.073131555e-02 -1.808420440e-01 -2.661769718e-01 4.46 -3.611953172e-02 -1.677002145e-01 -2.472592081e-01 4.48 -3.189789275e-02 -1.551032727e-01 -2.290427187e-01 4.50 -2.805563140e-02 -1.430922062e-01 -2.116041126e-01 4.52 -2.457906640e-02 -1.316993952e-01 -1.950054515e-01 4.54 -2.145182765e-02 -1.209465939e-01 -1.792913493e-01 4.56 -1.865514477e-02 -1.108439548e-01 -1.644876290e-01 4.58 -1.616783088e-02 -1.013901139e-01 -1.506015752e-01 4.60 -1.396791673e-02 -9.257322129e-02 -1.376235941e-01 4.62 -1.203262540e-02 -8.437269820e-02 -1.255299495e-01 4.64 -1.033865564e-02 -7.676143170e-02 -1.142861440e-01 4.66 -8.862771687e-03 -6.970810584e-02 -1.038505166e-01 4.68 -7.582316821e-03 -6.317941749e-02 -9.417767771e-02 4.70 -6.475630966e-03 -5.714199014e-02 -8.522147264e-02 4.72 -5.522364354e-03 -5.156363859e-02 -7.693726251e-02 4.74 -4.703689174e-03 -4.641469390e-02 -6.928345710e-02 4.76 -4.002418648e-03 -4.166866518e-02 -6.222228913e-02 4.78 -3.403047616e-03 -3.730184091e-02 -5.571988583e-02 4.80 -2.891730755e-03 -3.329305453e-02 -4.974619370e-02 4.82 -2.456214457e-03 -2.962321106e-02 -4.427402831e-02 4.84 -2.085736913e-03 -2.627468943e-02 -3.927816971e-02 4.86 -1.770908818e-03 -2.323073477e-02 -3.473449010e-02 4.88 -1.503584604e-03 -2.047492888e-02 -3.061919014e-02 4.90 -1.276731720e-03 -1.799079587e-02 -2.690823742e-02 4.92 -1.084303340e-03 -1.576156824e-02 -2.357704079e-02 4.94 -9.211180787e-04 -1.377006541e-02 -2.060035897e-02 4.96 -7.827489232e-04 -1.199856326e-02 -1.795212769e-02 4.98 -6.654224377e-04 -1.042964644e-02 -1.560610424e-02 5.00 -5.659285936e-04 -9.045977517e-03 -1.353663811e-02 5.02 -4.815410041e-04 -7.830462620e-03 -1.171836174e-02 5.04 -4.099470075e-04 -6.766517991e-03 -1.012660614e-02 5.06 -3.491868391e-04 -5.838299206e-03 -8.737762863e-03 5.08 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-2.748487860e-05 -4.113440607e-05 5.80 -1.428376549e-06 -2.388159098e-05 -3.574149714e-05 5.82 -1.244924401e-06 -2.076206147e-05 -3.107263503e-05 5.84 -1.085601070e-06 -1.805984342e-05 -2.702836475e-05 5.86 -9.471578246e-07 -1.571781586e-05 -2.352319017e-05 5.88 -8.267935109e-07 -1.368684855e-05 -2.048357571e-05 5.90 -7.220914878e-07 -1.192466134e-05 -1.784623902e-05 5.92 -6.309656453e-07 -1.039484936e-05 -1.555669183e-05 5.94 -5.516141694e-07 -9.066049488e-06 -1.356799226e-05 5.96 -4.824799169e-07 -7.911227288e-06 -1.183967752e-05 5.98 -4.222164366e-07 -6.907066802e-06 -1.033685049e-05 6.00 -3.696588150e-07 -6.033448034e-06 -9.029397627e-06