# 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 = AuNiZr2 # 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 3.216078820e+02 3.216078820e+02 1.30 2.988634563e+02 2.988634563e+02 1.32 2.777704370e+02 2.777704370e+02 1.34 2.581970880e+02 2.581970880e+02 1.36 2.400234734e+02 2.400234734e+02 1.38 2.231415444e+02 2.231415444e+02 1.40 2.074539336e+02 2.074539336e+02 1.42 1.928718339e+02 1.928718339e+02 1.44 1.793130540e+02 1.793130540e+02 1.46 1.667006561e+02 1.667006561e+02 1.48 1.549624877e+02 1.549624877e+02 1.50 1.440316673e+02 1.440316673e+02 1.52 1.338473290e+02 1.338473290e+02 1.54 1.243545795e+02 1.243545795e+02 1.56 1.155036992e+02 1.155036992e+02 1.58 1.072489732e+02 1.072489732e+02 1.60 9.954785818e+01 9.954785818e+01 1.62 9.236061597e+01 9.236061597e+01 1.64 8.565035186e+01 8.565035186e+01 1.66 7.938301861e+01 7.938301861e+01 1.68 7.352736048e+01 7.352736048e+01 1.70 6.805483293e+01 6.805483293e+01 1.72 6.293942197e+01 6.293942197e+01 1.74 5.815738192e+01 5.815738192e+01 1.76 5.368689965e+01 5.368689965e+01 1.78 4.950775928e+01 4.950775928e+01 1.80 4.560107193e+01 4.560107193e+01 1.82 4.194909458e+01 4.194909458e+01 1.84 3.853517459e+01 3.853517459e+01 1.86 3.534376928e+01 3.534376928e+01 1.88 3.236036164e+01 3.236036164e+01 1.90 2.957128919e+01 2.957128919e+01 1.92 2.696392750e+01 2.696392750e+01 1.94 2.452673577e+01 2.452673577e+01 1.96 2.224955642e+01 2.224955642e+01 1.98 2.012878141e+01 2.012878141e+01 2.00 1.815447215e+01 1.815447215e+01 2.02 1.631659473e+01 1.631659473e+01 2.04 1.460602672e+01 1.460602672e+01 2.06 1.301442881e+01 1.301442881e+01 2.08 1.153410761e+01 1.153410761e+01 2.10 1.015792198e+01 1.015792198e+01 2.12 8.879191828e+00 8.879191828e+00 2.14 7.691646664e+00 7.691646664e+00 2.16 6.589388416e+00 6.589388416e+00 2.18 5.566857392e+00 5.566857392e+00 2.20 4.618822357e+00 4.618822357e+00 2.22 3.740351259e+00 3.740351259e+00 2.24 2.926798834e+00 2.926798834e+00 2.26 2.173805370e+00 2.173805370e+00 2.28 1.477287935e+00 1.477287935e+00 2.30 8.334653611e-01 8.334653611e-01 2.32 2.388307873e-01 2.388307873e-01 2.34 -3.098636592e-01 -3.098636592e-01 2.36 -8.156377759e-01 -8.156377759e-01 2.38 -1.281310364e+00 -1.281310364e+00 2.40 -1.709522732e+00 -1.709522732e+00 2.42 -2.102767268e+00 -2.102767268e+00 2.44 -2.463399379e+00 -2.463399379e+00 2.46 -2.793657085e+00 -2.793657085e+00 2.48 -3.095661251e+00 -3.095661251e+00 2.50 -3.371408365e+00 -3.371408365e+00 2.52 -3.622761320e+00 -3.622761320e+00 2.54 -3.851445323e+00 -3.851445323e+00 2.56 -4.059051400e+00 -4.059051400e+00 2.58 -4.247045717e+00 -4.247045717e+00 2.60 -4.416781542e+00 -4.416781542e+00 2.62 -4.569510042e+00 -4.569510042e+00 2.64 -4.706397973e+00 -4.706397973e+00 2.66 -4.828528230e+00 -4.828528230e+00 2.68 -4.936917179e+00 -4.936917179e+00 2.70 -5.032553302e+00 -5.032553302e+00 2.72 -5.116444766e+00 -5.116444766e+00 2.74 -5.189338436e+00 -5.189338436e+00 2.76 -5.251939247e+00 -5.251939247e+00 2.78 -5.304926355e+00 -5.304926355e+00 2.80 -5.348952381e+00 -5.348952381e+00 2.82 -5.384615837e+00 -5.384615837e+00 2.84 -5.412470802e+00 -5.412470802e+00 2.86 -5.433021940e+00 -5.433021940e+00 2.88 -5.446592242e+00 -5.446592242e+00 2.90 -5.453321985e+00 -5.453321985e+00 2.92 -5.453379986e+00 -5.453379986e+00 2.94 -5.446973437e+00 -5.446973437e+00 2.96 -5.434342346e+00 -5.434342346e+00 2.98 -5.415752133e+00 -5.415752133e+00 3.00 -5.391490004e+00 -5.391490004e+00 3.02 -5.361860064e+00 -5.361860064e+00 3.04 -5.327174680e+00 -5.327174680e+00 3.06 -5.287768490e+00 -5.287768490e+00 3.08 -5.243967865e+00 -5.243967865e+00 3.10 -5.196109155e+00 -5.196109155e+00 3.12 -5.144534861e+00 -5.144534861e+00 3.14 -5.089640532e+00 -5.089640532e+00 3.16 -5.031665985e+00 -5.031665985e+00 3.18 -4.970819552e+00 -4.970819552e+00 3.20 -4.907328636e+00 -4.907328636e+00 3.22 -4.841433280e+00 -4.841433280e+00 3.24 -4.773381233e+00 -4.773381233e+00 3.26 -4.703425065e+00 -4.703425065e+00 3.28 -4.631820682e+00 -4.631820682e+00 3.30 -4.558825700e+00 -4.558825700e+00 3.32 -4.484695017e+00 -4.484695017e+00 3.34 -4.409671887e+00 -4.409671887e+00 3.36 -4.333984207e+00 -4.333984207e+00 3.38 -4.257837675e+00 -4.257837675e+00 3.40 -4.181407838e+00 -4.181407838e+00 3.42 -4.104844343e+00 -4.104844343e+00 3.44 -4.028260062e+00 -4.028260062e+00 3.46 -3.951742689e+00 -3.951742689e+00 3.48 -3.875357659e+00 -3.875357659e+00 3.50 -3.799153692e+00 -3.799153692e+00 3.52 -3.723167923e+00 -3.723167923e+00 3.54 -3.647430159e+00 -3.647430159e+00 3.56 -3.571966127e+00 -3.571966127e+00 3.58 -3.496799763e+00 -3.496799763e+00 3.60 -3.421954706e+00 -3.421954706e+00 3.62 -3.347455167e+00 -3.347455167e+00 3.64 -3.273326393e+00 -3.273326393e+00 3.66 -3.199594942e+00 -3.199594942e+00 3.68 -3.126289017e+00 -3.126289017e+00 3.70 -3.053439078e+00 -3.053439078e+00 3.72 -2.981078915e+00 -2.981078915e+00 3.74 -2.909247283e+00 -2.909247283e+00 3.76 -2.837990022e+00 -2.837990022e+00 3.78 -2.767362421e+00 -2.767362421e+00 3.80 -2.697431361e+00 -2.697431361e+00 3.82 -2.628276626e+00 -2.628276626e+00 3.84 -2.559990706e+00 -2.559990706e+00 3.86 -2.492676559e+00 -2.492676559e+00 3.88 -2.426443158e+00 -2.426443158e+00 3.90 -2.361399144e+00 -2.361399144e+00 3.92 -2.297642007e+00 -2.297642007e+00 3.94 -2.235265317e+00 -2.235265317e+00 3.96 -2.174330107e+00 -2.174330107e+00 3.98 -2.114877528e+00 -2.114877528e+00 4.00 -2.056923798e+00 -2.056923798e+00 4.02 -2.000461951e+00 -2.000461951e+00 4.04 -1.945465412e+00 -1.945465412e+00 4.06 -1.891892593e+00 -1.891892593e+00 4.08 -1.839691707e+00 -1.839691707e+00 4.10 -1.788798135e+00 -1.788798135e+00 4.12 -1.739167834e+00 -1.739167834e+00 4.14 -1.690733467e+00 -1.690733467e+00 4.16 -1.643439410e+00 -1.643439410e+00 4.18 -1.597234410e+00 -1.597234410e+00 4.20 -1.552072436e+00 -1.552072436e+00 4.22 -1.507913130e+00 -1.507913130e+00 4.24 -1.464721963e+00 -1.464721963e+00 4.26 -1.422470192e+00 -1.422470192e+00 4.28 -1.381134692e+00 -1.381134692e+00 4.30 -1.340697683e+00 -1.340697683e+00 4.32 -1.301146412e+00 -1.301146412e+00 4.34 -1.262472782e+00 -1.262472782e+00 4.36 -1.224672946e+00 -1.224672946e+00 4.38 -1.187746850e+00 -1.187746850e+00 4.40 -1.151697713e+00 -1.151697713e+00 4.42 -1.116531389e+00 -1.116531389e+00 4.44 -1.082255587e+00 -1.082255587e+00 4.46 -1.048878929e+00 -1.048878929e+00 4.48 -1.016409830e+00 -1.016409830e+00 4.50 -9.848552726e-01 -9.848552726e-01 4.52 -9.542195478e-01 -9.542195478e-01 4.54 -9.245030900e-01 -9.245030900e-01 4.56 -8.957015363e-01 -8.957015363e-01 4.58 -8.678051156e-01 -8.678051156e-01 4.60 -8.407984356e-01 -8.407984356e-01 4.62 -8.146606802e-01 -8.146606802e-01 4.64 -7.893661743e-01 -7.893661743e-01 4.66 -7.648852345e-01 -7.648852345e-01 4.68 -7.411852021e-01 -7.411852021e-01 4.70 -7.182315538e-01 -7.182315538e-01 4.72 -6.959889996e-01 -6.959889996e-01 4.74 -6.744224984e-01 -6.744224984e-01 4.76 -6.534981480e-01 -6.534981480e-01 4.78 -6.331839259e-01 -6.331839259e-01 4.80 -6.134441270e-01 -6.134441270e-01 4.82 -5.942654177e-01 -5.942654177e-01 4.84 -5.756169364e-01 -5.756169364e-01 4.86 -5.574785242e-01 -5.574785242e-01 4.88 -5.398333136e-01 -5.398333136e-01 4.90 -5.226675835e-01 -5.226675835e-01 4.92 -5.059704806e-01 -5.059704806e-01 4.94 -4.897336136e-01 -4.897336136e-01 4.96 -4.739505384e-01 -4.739505384e-01 4.98 -4.586161565e-01 -4.586161565e-01 5.00 -4.437260630e-01 -4.437260630e-01 5.02 -4.292758858e-01 -4.292758858e-01 5.04 -4.152606620e-01 -4.152606620e-01 5.06 -4.016742986e-01 -4.016742986e-01 5.08 -3.885091534e-01 -3.885091534e-01 5.10 -3.757557658e-01 -3.757557658e-01 5.12 -3.634027496e-01 -3.634027496e-01 5.14 -3.514368453e-01 -3.514368453e-01 5.16 -3.398431188e-01 -3.398431188e-01 5.18 -3.286052817e-01 -3.286052817e-01 5.20 -3.177061056e-01 -3.177061056e-01 5.22 -3.071278987e-01 -3.071278987e-01 5.24 -2.968530181e-01 -2.968530181e-01 5.26 -2.868643911e-01 -2.868643911e-01 5.28 -2.771460237e-01 -2.771460237e-01 5.30 -2.676834775e-01 -2.676834775e-01 5.32 -2.584642939e-01 -2.584642939e-01 5.34 -2.494783469e-01 -2.494783469e-01 5.36 -2.407181039e-01 -2.407181039e-01 5.38 -2.321787705e-01 -2.321787705e-01 5.40 -2.238583009e-01 -2.238583009e-01 5.42 -2.157572561e-01 -2.157572561e-01 5.44 -2.078785024e-01 -2.078785024e-01 5.46 -2.002267570e-01 -2.002267570e-01 5.48 -1.928080006e-01 -1.928080006e-01 5.50 -1.856287943e-01 -1.856287943e-01 5.52 -1.786955553e-01 -1.786955553e-01 5.54 -1.720138481e-01 -1.720138481e-01 5.56 -1.655877529e-01 -1.655877529e-01 5.58 -1.594193620e-01 -1.594193620e-01 5.60 -1.535083099e-01 -1.535083099e-01 5.62 -1.478516110e-01 -1.478516110e-01 5.64 -1.424442934e-01 -1.424442934e-01 5.66 -1.372790278e-01 -1.372790278e-01 5.68 -1.323463943e-01 -1.323463943e-01 5.70 -1.276352607e-01 -1.276352607e-01 5.72 -1.231331939e-01 -1.231331939e-01 5.74 -1.188268672e-01 -1.188268672e-01 5.76 -1.147024374e-01 -1.147024374e-01 5.78 -1.107458735e-01 -1.107458735e-01 5.80 -1.069432268e-01 -1.069432268e-01 5.82 -1.032808424e-01 -1.032808424e-01 5.84 -9.974551542e-02 -9.974551542e-02 5.86 -9.632459814e-02 -9.632459814e-02 5.88 -9.300606946e-02 -9.300606946e-02 5.90 -8.977857465e-02 -8.977857465e-02 5.92 -8.663144603e-02 -8.663144603e-02 5.94 -8.355471318e-02 -8.355471318e-02 5.96 -8.053911022e-02 -8.053911022e-02 5.98 -7.757608675e-02 -7.757608675e-02 6.00 -7.465782736e-02 -7.465782736e-02