# 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 = Au2CoPb # 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 3.417184578e+02 3.417184578e+02 1.30 3.177001885e+02 3.177001885e+02 1.32 2.954139448e+02 2.954139448e+02 1.34 2.747220216e+02 2.747220216e+02 1.36 2.554985544e+02 2.554985544e+02 1.38 2.376283529e+02 2.376283529e+02 1.40 2.210066007e+02 2.210066007e+02 1.42 2.055384477e+02 2.055384477e+02 1.44 1.911383271e+02 1.911383271e+02 1.46 1.777288057e+02 1.777288057e+02 1.48 1.652388033e+02 1.652388033e+02 1.50 1.536018532e+02 1.536018532e+02 1.52 1.427553134e+02 1.427553134e+02 1.54 1.326404474e+02 1.326404474e+02 1.56 1.232027000e+02 1.232027000e+02 1.58 1.143917287e+02 1.143917287e+02 1.60 1.061612793e+02 1.061612793e+02 1.62 9.846904017e+01 9.846904017e+01 1.64 9.127648115e+01 9.127648115e+01 1.66 8.454855642e+01 8.454855642e+01 1.68 7.825321988e+01 7.825321988e+01 1.70 7.236087283e+01 7.236087283e+01 1.72 6.684658709e+01 6.684658709e+01 1.74 6.170583512e+01 6.170583512e+01 1.76 5.692095591e+01 5.692095591e+01 1.78 5.247180033e+01 5.247180033e+01 1.80 4.833470640e+01 4.833470640e+01 1.82 4.448767852e+01 4.448767852e+01 1.84 4.091025860e+01 4.091025860e+01 1.86 3.758346398e+01 3.758346398e+01 1.88 3.448980269e+01 3.448980269e+01 1.90 3.161326365e+01 3.161326365e+01 1.92 2.893923557e+01 2.893923557e+01 1.94 2.645431485e+01 2.645431485e+01 1.96 2.414606502e+01 2.414606502e+01 1.98 2.200278295e+01 2.200278295e+01 2.00 2.001334647e+01 2.001334647e+01 2.02 1.816716629e+01 1.816716629e+01 2.04 1.645421155e+01 1.645421155e+01 2.06 1.486505989e+01 1.486505989e+01 2.08 1.339093062e+01 1.339093062e+01 2.10 1.202369169e+01 1.202369169e+01 2.12 1.075583493e+01 1.075583493e+01 2.14 9.580438969e+00 9.580438969e+00 2.16 8.491121411e+00 8.491121411e+00 2.18 7.481989438e+00 7.481989438e+00 2.20 6.547590295e+00 6.547590295e+00 2.22 5.682869076e+00 5.682869076e+00 2.24 4.883131470e+00 4.883131470e+00 2.26 4.144012481e+00 4.144012481e+00 2.28 3.461446152e+00 3.461446152e+00 2.30 2.831642435e+00 2.831642435e+00 2.32 2.251061287e+00 2.251061287e+00 2.34 1.716391610e+00 1.716391610e+00 2.36 1.224535104e+00 1.224535104e+00 2.38 7.725934288e-01 7.725934288e-01 2.40 3.578584065e-01 3.578584065e-01 2.42 -2.219677008e-02 -2.219677008e-02 2.44 -3.699280732e-01 -3.699280732e-01 2.46 -6.875328606e-01 -6.875328606e-01 2.48 -9.770643744e-01 -9.770643744e-01 2.50 -1.240447095e+00 -1.240447095e+00 2.52 -1.479491899e+00 -1.479491899e+00 2.54 -1.695910202e+00 -1.695910202e+00 2.56 -1.891326271e+00 -1.891326271e+00 2.58 -2.067286279e+00 -2.067286279e+00 2.60 -2.225288835e+00 -2.225288835e+00 2.62 -2.366742373e+00 -2.366742373e+00 2.64 -2.492906293e+00 -2.492906293e+00 2.66 -2.604953827e+00 -2.604953827e+00 2.68 -2.703964722e+00 -2.703964722e+00 2.70 -2.791050015e+00 -2.791050015e+00 2.72 -2.867071585e+00 -2.867071585e+00 2.74 -2.932685420e+00 -2.932685420e+00 2.76 -2.988504155e+00 -2.988504155e+00 2.78 -3.035061532e+00 -3.035061532e+00 2.80 -3.072863639e+00 -3.072863639e+00 2.82 -3.102407309e+00 -3.102407309e+00 2.84 -3.124178571e+00 -3.124178571e+00 2.86 -3.138647458e+00 -3.138647458e+00 2.88 -3.146257775e+00 -3.146257775e+00 2.90 -3.147439479e+00 -3.147439479e+00 2.92 -3.142613673e+00 -3.142613673e+00 2.94 -3.132195406e+00 -3.132195406e+00 2.96 -3.116597809e+00 -3.116597809e+00 2.98 -3.096236786e+00 -3.096236786e+00 3.00 -3.071534920e+00 -3.071534920e+00 3.02 -3.042922946e+00 -3.042922946e+00 3.04 -3.010836796e+00 -3.010836796e+00 3.06 -2.975713169e+00 -2.975713169e+00 3.08 -2.937975261e+00 -2.937975261e+00 3.10 -2.898023613e+00 -2.898023613e+00 3.12 -2.856224237e+00 -2.856224237e+00 3.14 -2.812904198e+00 -2.812904198e+00 3.16 -2.768347211e+00 -2.768347211e+00 3.18 -2.722828298e+00 -2.722828298e+00 3.20 -2.676533410e+00 -2.676533410e+00 3.22 -2.629602309e+00 -2.629602309e+00 3.24 -2.582156806e+00 -2.582156806e+00 3.26 -2.534304087e+00 -2.534304087e+00 3.28 -2.486139479e+00 -2.486139479e+00 3.30 -2.437748806e+00 -2.437748806e+00 3.32 -2.389210351e+00 -2.389210351e+00 3.34 -2.340593703e+00 -2.340593703e+00 3.36 -2.291955818e+00 -2.291955818e+00 3.38 -2.243351705e+00 -2.243351705e+00 3.40 -2.194836307e+00 -2.194836307e+00 3.42 -2.146465033e+00 -2.146465033e+00 3.44 -2.098292415e+00 -2.098292415e+00 3.46 -2.050372215e+00 -2.050372215e+00 3.48 -2.002756569e+00 -2.002756569e+00 3.50 -1.955495315e+00 -1.955495315e+00 3.52 -1.908635399e+00 -1.908635399e+00 3.54 -1.862220423e+00 -1.862220423e+00 3.56 -1.816290378e+00 -1.816290378e+00 3.58 -1.770881582e+00 -1.770881582e+00 3.60 -1.726026817e+00 -1.726026817e+00 3.62 -1.681755637e+00 -1.681755637e+00 3.64 -1.638094813e+00 -1.638094813e+00 3.66 -1.595068821e+00 -1.595068821e+00 3.68 -1.552700299e+00 -1.552700299e+00 3.70 -1.511010378e+00 -1.511010378e+00 3.72 -1.470018814e+00 -1.470018814e+00 3.74 -1.429743866e+00 -1.429743866e+00 3.76 -1.390201955e+00 -1.390201955e+00 3.78 -1.351407146e+00 -1.351407146e+00 3.80 -1.313370579e+00 -1.313370579e+00 3.82 -1.276099961e+00 -1.276099961e+00 3.84 -1.239599229e+00 -1.239599229e+00 3.86 -1.203868437e+00 -1.203868437e+00 3.88 -1.168903887e+00 -1.168903887e+00 3.90 -1.134698446e+00 -1.134698446e+00 3.92 -1.101241664e+00 -1.101241664e+00 3.94 -1.068521645e+00 -1.068521645e+00 3.96 -1.036523376e+00 -1.036523376e+00 3.98 -1.005230697e+00 -1.005230697e+00 4.00 -9.746262936e-01 -9.746262936e-01 4.02 -9.446920564e-01 -9.446920564e-01 4.04 -9.154094348e-01 -9.154094348e-01 4.06 -8.867598176e-01 -8.867598176e-01 4.08 -8.587249798e-01 -8.587249798e-01 4.10 -8.312865830e-01 -8.312865830e-01 4.12 -8.044311603e-01 -8.044311603e-01 4.14 -7.781440241e-01 -7.781440241e-01 4.16 -7.524148597e-01 -7.524148597e-01 4.18 -7.272372456e-01 -7.272372456e-01 4.20 -7.026093409e-01 -7.026093409e-01 4.22 -6.785343483e-01 -6.785343483e-01 4.24 -6.550206254e-01 -6.550206254e-01 4.26 -6.320813326e-01 -6.320813326e-01 4.28 -6.097335512e-01 -6.097335512e-01 4.30 -5.879968800e-01 -5.879968800e-01 4.32 -5.668916083e-01 -5.668916083e-01 4.34 -5.464366495e-01 -5.464366495e-01 4.36 -5.266474780e-01 -5.266474780e-01 4.38 -5.075343216e-01 -5.075343216e-01 4.40 -4.891008229e-01 -4.891008229e-01 4.42 -4.713432992e-01 -4.713432992e-01 4.44 -4.542506315e-01 -4.542506315e-01 4.46 -4.378047166e-01 -4.378047166e-01 4.48 -4.219813523e-01 -4.219813523e-01 4.50 -4.067513932e-01 -4.067513932e-01 4.52 -3.920820167e-01 -3.920820167e-01 4.54 -3.779379664e-01 -3.779379664e-01 4.56 -3.642826809e-01 -3.642826809e-01 4.58 -3.510792557e-01 -3.510792557e-01 4.60 -3.382912231e-01 -3.382912231e-01 4.62 -3.258831637e-01 -3.258831637e-01 4.64 -3.138211768e-01 -3.138211768e-01 4.66 -3.020732501e-01 -3.020732501e-01 4.68 -2.906095674e-01 -2.906095674e-01 4.70 -2.794027913e-01 -2.794027913e-01 4.72 -2.684283514e-01 -2.684283514e-01 4.74 -2.576647573e-01 -2.576647573e-01 4.76 -2.470939451e-01 -2.470939451e-01 4.78 -2.367016554e-01 -2.367016554e-01 4.80 -2.264770629e-01 -2.264770629e-01 4.82 -2.164163034e-01 -2.164163034e-01 4.84 -2.065178403e-01 -2.065178403e-01 4.86 -1.967860854e-01 -1.967860854e-01 4.88 -1.872304955e-01 -1.872304955e-01 4.90 -1.778653328e-01 -1.778653328e-01 4.92 -1.687091466e-01 -1.687091466e-01 4.94 -1.597839591e-01 -1.597839591e-01 4.96 -1.511141749e-01 -1.511141749e-01 4.98 -1.427252716e-01 -1.427252716e-01 5.00 -1.346423643e-01 -1.346423643e-01 5.02 -1.268887630e-01 -1.268887630e-01 5.04 -1.194846469e-01 -1.194846469e-01 5.06 -1.124459739e-01 -1.124459739e-01 5.08 -1.057837164e-01 -1.057837164e-01 5.10 -9.950346505e-02 -9.950346505e-02 5.12 -9.360540247e-02 -9.360540247e-02 5.14 -8.808460578e-02 -8.808460578e-02 5.16 -8.293161848e-02 -8.293161848e-02 5.18 -7.813320144e-02 -7.813320144e-02 5.20 -7.367312956e-02 -7.367312956e-02 5.22 -6.953254909e-02 -6.953254909e-02 5.24 -6.569215773e-02 -6.569215773e-02 5.26 -6.213217507e-02 -6.213217507e-02 5.28 -5.883263827e-02 -5.883263827e-02 5.30 -5.577390831e-02 -5.577390831e-02 5.32 -5.293703099e-02 -5.293703099e-02 5.34 -5.030397133e-02 -5.030397133e-02 5.36 -4.785769600e-02 -4.785769600e-02 5.38 -4.558225035e-02 -4.558225035e-02 5.40 -4.346293685e-02 -4.346293685e-02 5.42 -4.148610637e-02 -4.148610637e-02 5.44 -3.963910605e-02 -3.963910605e-02 5.46 -3.791022562e-02 -3.791022562e-02 5.48 -3.628864095e-02 -3.628864095e-02 5.50 -3.476435919e-02 -3.476435919e-02 5.52 -3.332816699e-02 -3.332816699e-02 5.54 -3.197158250e-02 -3.197158250e-02 5.56 -3.068681036e-02 -3.068681036e-02 5.58 -2.946669938e-02 -2.946669938e-02 5.60 -2.830470214e-02 -2.830470214e-02 5.62 -2.719483627e-02 -2.719483627e-02 5.64 -2.613164727e-02 -2.613164727e-02 5.66 -2.511017336e-02 -2.511017336e-02 5.68 -2.412591261e-02 -2.412591261e-02 5.70 -2.317479277e-02 -2.317479277e-02 5.72 -2.225314443e-02 -2.225314443e-02 5.74 -2.135767779e-02 -2.135767779e-02 5.76 -2.048546345e-02 -2.048546345e-02 5.78 -1.963391741e-02 -1.963391741e-02 5.80 -1.880079002e-02 -1.880079002e-02 5.82 -1.798415882e-02 -1.798415882e-02 5.84 -1.718242467e-02 -1.718242467e-02 5.86 -1.639431034e-02 -1.639431034e-02 5.88 -1.561886058e-02 -1.561886058e-02 5.90 -1.485544238e-02 -1.485544238e-02 5.92 -1.410374399e-02 -1.410374399e-02 5.94 -1.336375672e-02 -1.336375672e-02 5.96 -1.263571217e-02 -1.263571217e-02 5.98 -1.192022561e-02 -1.192022561e-02 6.00 -1.121820125e-02 -1.121820125e-02