# 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 = AgCuPb2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.954060568e+02 2.954060568e+02 1.30 2.752940676e+02 2.752940676e+02 1.32 2.566108325e+02 2.566108325e+02 1.34 2.392461207e+02 2.392461207e+02 1.36 2.230965358e+02 2.230965358e+02 1.38 2.080653550e+02 2.080653550e+02 1.40 1.940635453e+02 1.940635453e+02 1.42 1.810107725e+02 1.810107725e+02 1.44 1.688353862e+02 1.688353862e+02 1.46 1.574734189e+02 1.574734189e+02 1.48 1.468672042e+02 1.468672042e+02 1.50 1.369639886e+02 1.369639886e+02 1.52 1.277146781e+02 1.277146781e+02 1.54 1.190730429e+02 1.190730429e+02 1.56 1.109954437e+02 1.109954437e+02 1.58 1.034410104e+02 1.034410104e+02 1.60 9.637195161e+01 9.637195161e+01 1.62 8.975382302e+01 8.975382302e+01 1.64 8.355552930e+01 8.355552930e+01 1.66 7.775088395e+01 7.775088395e+01 1.68 7.232760703e+01 7.232760703e+01 1.70 6.726387462e+01 6.726387462e+01 1.72 6.253643295e+01 6.253643295e+01 1.74 5.812333895e+01 5.812333895e+01 1.76 5.400379106e+01 5.400379106e+01 1.78 5.015806120e+01 5.015806120e+01 1.80 4.656745214e+01 4.656745214e+01 1.82 4.321432218e+01 4.321432218e+01 1.84 4.008216011e+01 4.008216011e+01 1.86 3.715565632e+01 3.715565632e+01 1.88 3.442071354e+01 3.442071354e+01 1.90 3.186436737e+01 3.186436737e+01 1.92 2.947465574e+01 2.947465574e+01 1.94 2.724053211e+01 2.724053211e+01 1.96 2.515179286e+01 2.515179286e+01 1.98 2.319903099e+01 2.319903099e+01 2.00 2.137356581e+01 2.137356581e+01 2.02 1.966734569e+01 1.966734569e+01 2.04 1.807284428e+01 1.807284428e+01 2.06 1.658298598e+01 1.658298598e+01 2.08 1.519111655e+01 1.519111655e+01 2.10 1.389099415e+01 1.389099415e+01 2.12 1.267679412e+01 1.267679412e+01 2.14 1.154309036e+01 1.154309036e+01 2.16 1.048482627e+01 1.048482627e+01 2.18 9.497279795e+00 9.497279795e+00 2.20 8.576029039e+00 8.576029039e+00 2.22 7.716931436e+00 7.716931436e+00 2.24 6.916111169e+00 6.916111169e+00 2.26 6.169950863e+00 6.169950863e+00 2.28 5.475080685e+00 5.475080685e+00 2.30 4.828354988e+00 4.828354988e+00 2.32 4.226815927e+00 4.226815927e+00 2.34 3.667667061e+00 3.667667061e+00 2.36 3.148236499e+00 3.148236499e+00 2.38 2.665961614e+00 2.665961614e+00 2.40 2.218386233e+00 2.218386233e+00 2.42 1.803169658e+00 1.803169658e+00 2.44 1.418101454e+00 1.418101454e+00 2.46 1.061117024e+00 1.061117024e+00 2.48 7.303082837e-01 7.303082837e-01 2.50 4.239267344e-01 4.239267344e-01 2.52 1.403781289e-01 1.403781289e-01 2.54 -1.217900573e-01 -1.217900573e-01 2.56 -3.639061062e-01 -3.639061062e-01 2.58 -5.871941143e-01 -5.871941143e-01 2.60 -7.927944222e-01 -7.927944222e-01 2.62 -9.817813646e-01 -9.817813646e-01 2.64 -1.155182718e+00 -1.155182718e+00 2.66 -1.313983247e+00 -1.313983247e+00 2.68 -1.459135802e+00 -1.459135802e+00 2.70 -1.591729504e+00 -1.591729504e+00 2.72 -1.712612596e+00 -1.712612596e+00 2.74 -1.822429071e+00 -1.822429071e+00 2.76 -1.921808852e+00 -1.921808852e+00 2.78 -2.011357336e+00 -2.011357336e+00 2.80 -2.091649757e+00 -2.091649757e+00 2.82 -2.163225360e+00 -2.163225360e+00 2.84 -2.226589237e+00 -2.226589237e+00 2.86 -2.282215358e+00 -2.282215358e+00 2.88 -2.330563400e+00 -2.330563400e+00 2.90 -2.372120160e+00 -2.372120160e+00 2.92 -2.407353438e+00 -2.407353438e+00 2.94 -2.436591589e+00 -2.436591589e+00 2.96 -2.460158900e+00 -2.460158900e+00 2.98 -2.478380760e+00 -2.478380760e+00 3.00 -2.491583945e+00 -2.491583945e+00 3.02 -2.500096399e+00 -2.500096399e+00 3.04 -2.504245645e+00 -2.504245645e+00 3.06 -2.504360098e+00 -2.504360098e+00 3.08 -2.500763570e+00 -2.500763570e+00 3.10 -2.493779319e+00 -2.493779319e+00 3.12 -2.483742371e+00 -2.483742371e+00 3.14 -2.470999673e+00 -2.470999673e+00 3.16 -2.455770438e+00 -2.455770438e+00 3.18 -2.438262889e+00 -2.438262889e+00 3.20 -2.418677008e+00 -2.418677008e+00 3.22 -2.397200315e+00 -2.397200315e+00 3.24 -2.374004447e+00 -2.374004447e+00 3.26 -2.349242996e+00 -2.349242996e+00 3.28 -2.323050872e+00 -2.323050872e+00 3.30 -2.295540473e+00 -2.295540473e+00 3.32 -2.266795451e+00 -2.266795451e+00 3.34 -2.236890927e+00 -2.236890927e+00 3.36 -2.205899419e+00 -2.205899419e+00 3.38 -2.173893594e+00 -2.173893594e+00 3.40 -2.140947810e+00 -2.140947810e+00 3.42 -2.107140229e+00 -2.107140229e+00 3.44 -2.072550627e+00 -2.072550627e+00 3.46 -2.037260940e+00 -2.037260940e+00 3.48 -2.001353551e+00 -2.001353551e+00 3.50 -1.964909798e+00 -1.964909798e+00 3.52 -1.928008596e+00 -1.928008596e+00 3.54 -1.890725346e+00 -1.890725346e+00 3.56 -1.853131259e+00 -1.853131259e+00 3.58 -1.815293155e+00 -1.815293155e+00 3.60 -1.777273743e+00 -1.777273743e+00 3.62 -1.739132317e+00 -1.739132317e+00 3.64 -1.700925781e+00 -1.700925781e+00 3.66 -1.662709853e+00 -1.662709853e+00 3.68 -1.624540263e+00 -1.624540263e+00 3.70 -1.586473768e+00 -1.586473768e+00 3.72 -1.548568793e+00 -1.548568793e+00 3.74 -1.510885585e+00 -1.510885585e+00 3.76 -1.473485828e+00 -1.473485828e+00 3.78 -1.436431739e+00 -1.436431739e+00 3.80 -1.399784759e+00 -1.399784759e+00 3.82 -1.363603989e+00 -1.363603989e+00 3.84 -1.327944528e+00 -1.327944528e+00 3.86 -1.292855865e+00 -1.292855865e+00 3.88 -1.258380481e+00 -1.258380481e+00 3.90 -1.224552757e+00 -1.224552757e+00 3.92 -1.191397536e+00 -1.191397536e+00 3.94 -1.158933062e+00 -1.158933062e+00 3.96 -1.127166245e+00 -1.127166245e+00 3.98 -1.096096804e+00 -1.096096804e+00 4.00 -1.065717302e+00 -1.065717302e+00 4.02 -1.036014304e+00 -1.036014304e+00 4.04 -1.006969596e+00 -1.006969596e+00 4.06 -9.785613777e-01 -9.785613777e-01 4.08 -9.507653565e-01 -9.507653565e-01 4.10 -9.235537430e-01 -9.235537430e-01 4.12 -8.969043486e-01 -8.969043486e-01 4.14 -8.707883641e-01 -8.707883641e-01 4.16 -8.451801596e-01 -8.451801596e-01 4.18 -8.200555374e-01 -8.200555374e-01 4.20 -7.953923949e-01 -7.953923949e-01 4.22 -7.711713938e-01 -7.711713938e-01 4.24 -7.473766311e-01 -7.473766311e-01 4.26 -7.239962848e-01 -7.239962848e-01 4.28 -7.010231948e-01 -7.010231948e-01 4.30 -6.784553222e-01 -6.784553222e-01 4.32 -6.562960276e-01 -6.562960276e-01 4.34 -6.345541042e-01 -6.345541042e-01 4.36 -6.132435125e-01 -6.132435125e-01 4.38 -5.923827802e-01 -5.923827802e-01 4.40 -5.719940553e-01 -5.719940553e-01 4.42 -5.521018390e-01 -5.521018390e-01 4.44 -5.327314608e-01 -5.327314608e-01 4.46 -5.139074018e-01 -5.139074018e-01 4.48 -4.956516015e-01 -4.956516015e-01 4.50 -4.779818999e-01 -4.779818999e-01 4.52 -4.609107580e-01 -4.609107580e-01 4.54 -4.444443720e-01 -4.444443720e-01 4.56 -4.285822456e-01 -4.285822456e-01 4.58 -4.133172269e-01 -4.133172269e-01 4.60 -3.986359638e-01 -3.986359638e-01 4.62 -3.845196895e-01 -3.845196895e-01 4.64 -3.709452278e-01 -3.709452278e-01 4.66 -3.578861070e-01 -3.578861070e-01 4.68 -3.453136838e-01 -3.453136838e-01 4.70 -3.331982005e-01 -3.331982005e-01 4.72 -3.215097296e-01 -3.215097296e-01 4.74 -3.102189776e-01 -3.102189776e-01 4.76 -2.992979471e-01 -2.992979471e-01 4.78 -2.887204613e-01 -2.887204613e-01 4.80 -2.784610480e-01 -2.784610480e-01 4.82 -2.685015590e-01 -2.685015590e-01 4.84 -2.588214928e-01 -2.588214928e-01 4.86 -2.494050027e-01 -2.494050027e-01 4.88 -2.402391294e-01 -2.402391294e-01 4.90 -2.313137591e-01 -2.313137591e-01 4.92 -2.226214969e-01 -2.226214969e-01 4.94 -2.141574536e-01 -2.141574536e-01 4.96 -2.059189462e-01 -2.059189462e-01 4.98 -1.979051229e-01 -1.979051229e-01 5.00 -1.901165274e-01 -1.901165274e-01 5.02 -1.825546287e-01 -1.825546287e-01 5.04 -1.752213479e-01 -1.752213479e-01 5.06 -1.681186182e-01 -1.681186182e-01 5.08 -1.612480094e-01 -1.612480094e-01 5.10 -1.546104380e-01 -1.546104380e-01 5.12 -1.482059910e-01 -1.482059910e-01 5.14 -1.420338538e-01 -1.420338538e-01 5.16 -1.360923329e-01 -1.360923329e-01 5.18 -1.303789544e-01 -1.303789544e-01 5.20 -1.248906030e-01 -1.248906030e-01 5.22 -1.196236722e-01 -1.196236722e-01 5.24 -1.145742028e-01 -1.145742028e-01 5.26 -1.097379850e-01 -1.097379850e-01 5.28 -1.051106112e-01 -1.051106112e-01 5.30 -1.006874804e-01 -1.006874804e-01 5.32 -9.646355544e-02 -9.646355544e-02 5.34 -9.243297237e-02 -9.243297237e-02 5.36 -8.859061907e-02 -8.859061907e-02 5.38 -8.493091637e-02 -8.493091637e-02 5.40 -8.144764114e-02 -8.144764114e-02 5.42 -7.813393529e-02 -7.813393529e-02 5.44 -7.498234643e-02 -7.498234643e-02 5.46 -7.198489962e-02 -7.198489962e-02 5.48 -6.913319531e-02 -6.913319531e-02 5.50 -6.641852565e-02 -6.641852565e-02 5.52 -6.383200014e-02 -6.383200014e-02 5.54 -6.136467185e-02 -6.136467185e-02 5.56 -5.900765671e-02 -5.900765671e-02 5.58 -5.675224044e-02 -5.675224044e-02 5.60 -5.458996965e-02 -5.458996965e-02 5.62 -5.251272583e-02 -5.251272583e-02 5.64 -5.051278259e-02 -5.051278259e-02 5.66 -4.858284768e-02 -4.858284768e-02 5.68 -4.671609240e-02 -4.671609240e-02 5.70 -4.490617096e-02 -4.490617096e-02 5.72 -4.314723307e-02 -4.314723307e-02 5.74 -4.143393216e-02 -4.143393216e-02 5.76 -3.976143180e-02 -3.976143180e-02 5.78 -3.812541209e-02 -3.812541209e-02 5.80 -3.652207740e-02 -3.652207740e-02 5.82 -3.494816599e-02 -3.494816599e-02 5.84 -3.340096160e-02 -3.340096160e-02 5.86 -3.187830627e-02 -3.187830627e-02 5.88 -3.037861319e-02 -3.037861319e-02 5.90 -2.890087748e-02 -2.890087748e-02 5.92 -2.744468271e-02 -2.744468271e-02 5.94 -2.601020025e-02 -2.601020025e-02 5.96 -2.459817872e-02 -2.459817872e-02 5.98 -2.320991995e-02 -2.320991995e-02 6.00 -2.184724042e-02 -2.184724042e-02