# 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 = AgNiZr2 # 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 2.910445378e+02 2.910445378e+02 1.30 2.700213167e+02 2.700213167e+02 1.32 2.505400029e+02 2.505400029e+02 1.34 2.324769888e+02 2.324769888e+02 1.36 2.157202552e+02 2.157202552e+02 1.38 2.001691670e+02 2.001691670e+02 1.40 1.857331134e+02 1.857331134e+02 1.42 1.723291438e+02 1.723291438e+02 1.44 1.598798713e+02 1.598798713e+02 1.46 1.483127521e+02 1.483127521e+02 1.48 1.375605467e+02 1.375605467e+02 1.50 1.275617426e+02 1.275617426e+02 1.52 1.182602893e+02 1.182602893e+02 1.54 1.096048375e+02 1.096048375e+02 1.56 1.015480926e+02 1.015480926e+02 1.58 9.404655512e+01 9.404655512e+01 1.60 8.706035856e+01 8.706035856e+01 1.62 8.055293283e+01 8.055293283e+01 1.64 7.449054972e+01 7.449054972e+01 1.66 6.884188396e+01 6.884188396e+01 1.68 6.357771438e+01 6.357771438e+01 1.70 5.867088194e+01 5.867088194e+01 1.72 5.409625639e+01 5.409625639e+01 1.74 4.983067476e+01 4.983067476e+01 1.76 4.585279668e+01 4.585279668e+01 1.78 4.214297972e+01 4.214297972e+01 1.80 3.868312313e+01 3.868312313e+01 1.82 3.545651928e+01 3.545651928e+01 1.84 3.244758684e+01 3.244758684e+01 1.86 2.964175266e+01 2.964175266e+01 1.88 2.702555348e+01 2.702555348e+01 1.90 2.458727024e+01 2.458727024e+01 1.92 2.231530139e+01 2.231530139e+01 1.94 2.019874086e+01 2.019874086e+01 1.96 1.822801252e+01 1.822801252e+01 1.98 1.639419455e+01 1.639419455e+01 2.00 1.468839676e+01 1.468839676e+01 2.02 1.310236723e+01 1.310236723e+01 2.04 1.162841309e+01 1.162841309e+01 2.06 1.025929817e+01 1.025929817e+01 2.08 8.988144129e+00 8.988144129e+00 2.10 7.808379342e+00 7.808379342e+00 2.12 6.713746025e+00 6.713746025e+00 2.14 5.698340704e+00 5.698340704e+00 2.16 4.756679355e+00 4.756679355e+00 2.18 3.883716315e+00 3.883716315e+00 2.20 3.074827843e+00 3.074827843e+00 2.22 2.325737811e+00 2.325737811e+00 2.24 1.632457633e+00 1.632457633e+00 2.26 9.912575200e-01 9.912575200e-01 2.28 3.986521081e-01 3.986521081e-01 2.30 -1.485643063e-01 -1.485643063e-01 2.32 -6.533594351e-01 -6.533594351e-01 2.34 -1.118449676e+00 -1.118449676e+00 2.36 -1.546360718e+00 -1.546360718e+00 2.38 -1.939456217e+00 -1.939456217e+00 2.40 -2.299967382e+00 -2.299967382e+00 2.42 -2.630025259e+00 -2.630025259e+00 2.44 -2.931674326e+00 -2.931674326e+00 2.46 -3.206892557e+00 -3.206892557e+00 2.48 -3.457589417e+00 -3.457589417e+00 2.50 -3.685591616e+00 -3.685591616e+00 2.52 -3.892620403e+00 -3.892620403e+00 2.54 -4.080268704e+00 -4.080268704e+00 2.56 -4.249985644e+00 -4.249985644e+00 2.58 -4.403073421e+00 -4.403073421e+00 2.60 -4.540697693e+00 -4.540697693e+00 2.62 -4.663904777e+00 -4.663904777e+00 2.64 -4.773660674e+00 -4.773660674e+00 2.66 -4.870869302e+00 -4.870869302e+00 2.68 -4.956484300e+00 -4.956484300e+00 2.70 -5.031207915e+00 -5.031207915e+00 2.72 -5.095697714e+00 -5.095697714e+00 2.74 -5.150611618e+00 -5.150611618e+00 2.76 -5.196597907e+00 -5.196597907e+00 2.78 -5.234279581e+00 -5.234279581e+00 2.80 -5.264253428e+00 -5.264253428e+00 2.82 -5.287060642e+00 -5.287060642e+00 2.84 -5.303081279e+00 -5.303081279e+00 2.86 -5.312475417e+00 -5.312475417e+00 2.88 -5.315410510e+00 -5.315410510e+00 2.90 -5.312082747e+00 -5.312082747e+00 2.92 -5.302714177e+00 -5.302714177e+00 2.94 -5.287550458e+00 -5.287550458e+00 2.96 -5.266856127e+00 -5.266856127e+00 2.98 -5.240912901e+00 -5.240912901e+00 3.00 -5.210016160e+00 -5.210016160e+00 3.02 -5.174471062e+00 -5.174471062e+00 3.04 -5.134584611e+00 -5.134584611e+00 3.06 -5.090681594e+00 -5.090681594e+00 3.08 -5.043072732e+00 -5.043072732e+00 3.10 -4.992074852e+00 -4.992074852e+00 3.12 -4.937997509e+00 -4.937997509e+00 3.14 -4.881107545e+00 -4.881107545e+00 3.16 -4.821631392e+00 -4.821631392e+00 3.18 -4.759809860e+00 -4.759809860e+00 3.20 -4.695890615e+00 -4.695890615e+00 3.22 -4.630124213e+00 -4.630124213e+00 3.24 -4.562761238e+00 -4.562761238e+00 3.26 -4.494050837e+00 -4.494050837e+00 3.28 -4.424239967e+00 -4.424239967e+00 3.30 -4.353571948e+00 -4.353571948e+00 3.32 -4.282307441e+00 -4.282307441e+00 3.34 -4.210729545e+00 -4.210729545e+00 3.36 -4.138980625e+00 -4.138980625e+00 3.38 -4.067178423e+00 -4.067178423e+00 3.40 -3.995419834e+00 -3.995419834e+00 3.42 -3.923785350e+00 -3.923785350e+00 3.44 -3.852327489e+00 -3.852327489e+00 3.46 -3.781082135e+00 -3.781082135e+00 3.48 -3.710070533e+00 -3.710070533e+00 3.50 -3.639303838e+00 -3.639303838e+00 3.52 -3.568788082e+00 -3.568788082e+00 3.54 -3.498529996e+00 -3.498529996e+00 3.56 -3.428535858e+00 -3.428535858e+00 3.58 -3.358812062e+00 -3.358812062e+00 3.60 -3.289366106e+00 -3.289366106e+00 3.62 -3.220207059e+00 -3.220207059e+00 3.64 -3.151345727e+00 -3.151345727e+00 3.66 -3.082794738e+00 -3.082794738e+00 3.68 -3.014568789e+00 -3.014568789e+00 3.70 -2.946685277e+00 -2.946685277e+00 3.72 -2.879165490e+00 -2.879165490e+00 3.74 -2.812036432e+00 -2.812036432e+00 3.76 -2.745333220e+00 -2.745333220e+00 3.78 -2.679101742e+00 -2.679101742e+00 3.80 -2.613401118e+00 -2.613401118e+00 3.82 -2.548305280e+00 -2.548305280e+00 3.84 -2.483902983e+00 -2.483902983e+00 3.86 -2.420295679e+00 -2.420295679e+00 3.88 -2.357593050e+00 -2.357593050e+00 3.90 -2.295906548e+00 -2.295906548e+00 3.92 -2.235338303e+00 -2.235338303e+00 3.94 -2.175988232e+00 -2.175988232e+00 3.96 -2.117924805e+00 -2.117924805e+00 3.98 -2.061197533e+00 -2.061197533e+00 4.00 -2.005831518e+00 -2.005831518e+00 4.02 -1.951828875e+00 -1.951828875e+00 4.04 -1.899172032e+00 -1.899172032e+00 4.06 -1.847828089e+00 -1.847828089e+00 4.08 -1.797753438e+00 -1.797753438e+00 4.10 -1.748891031e+00 -1.748891031e+00 4.12 -1.701203473e+00 -1.701203473e+00 4.14 -1.654629413e+00 -1.654629413e+00 4.16 -1.609118271e+00 -1.609118271e+00 4.18 -1.564622960e+00 -1.564622960e+00 4.20 -1.521100765e+00 -1.521100765e+00 4.22 -1.478513860e+00 -1.478513860e+00 4.24 -1.436829568e+00 -1.436829568e+00 4.26 -1.396020470e+00 -1.396020470e+00 4.28 -1.356064400e+00 -1.356064400e+00 4.30 -1.316944380e+00 -1.316944380e+00 4.32 -1.278648494e+00 -1.278648494e+00 4.34 -1.241169703e+00 -1.241169703e+00 4.36 -1.204505588e+00 -1.204505588e+00 4.38 -1.168657985e+00 -1.168657985e+00 4.40 -1.133632495e+00 -1.133632495e+00 4.42 -1.099437824e+00 -1.099437824e+00 4.44 -1.066084927e+00 -1.066084927e+00 4.46 -1.033585951e+00 -1.033585951e+00 4.48 -1.001952997e+00 -1.001952997e+00 4.50 -9.711967719e-01 -9.711967719e-01 4.52 -9.413252228e-01 -9.413252228e-01 4.54 -9.123422914e-01 -9.123422914e-01 4.56 -8.842469123e-01 -8.842469123e-01 4.58 -8.570323655e-01 -8.570323655e-01 4.60 -8.306860430e-01 -8.306860430e-01 4.62 -8.051896362e-01 -8.051896362e-01 4.64 -7.805196962e-01 -7.805196962e-01 4.66 -7.566484802e-01 -7.566484802e-01 4.68 -7.335449761e-01 -7.335449761e-01 4.70 -7.111759999e-01 -7.111759999e-01 4.72 -6.895072737e-01 -6.895072737e-01 4.74 -6.685044170e-01 -6.685044170e-01 4.76 -6.481338090e-01 -6.481338090e-01 4.78 -6.283633032e-01 -6.283633032e-01 4.80 -6.091566367e-01 -6.091566367e-01 4.82 -5.904995086e-01 -5.904995086e-01 4.84 -5.723596340e-01 -5.723596340e-01 4.86 -5.547150440e-01 -5.547150440e-01 4.88 -5.375467212e-01 -5.375467212e-01 4.90 -5.208385410e-01 -5.208385410e-01 4.92 -5.045771073e-01 -5.045771073e-01 4.94 -4.887514833e-01 -4.887514833e-01 4.96 -4.733528276e-01 -4.733528276e-01 4.98 -4.583739446e-01 -4.583739446e-01 5.00 -4.438087716e-01 -4.438087716e-01 5.02 -4.296518305e-01 -4.296518305e-01 5.04 -4.158976777e-01 -4.158976777e-01 5.06 -4.025403918e-01 -4.025403918e-01 5.08 -3.895731358e-01 -3.895731358e-01 5.10 -3.769878243e-01 -3.769878243e-01 5.12 -3.647749202e-01 -3.647749202e-01 5.14 -3.529233696e-01 -3.529233696e-01 5.16 -3.414206750e-01 -3.414206750e-01 5.18 -3.302530940e-01 -3.302530940e-01 5.20 -3.194059461e-01 -3.194059461e-01 5.22 -3.088640009e-01 -3.088640009e-01 5.24 -2.986119247e-01 -2.986119247e-01 5.26 -2.886347575e-01 -2.886347575e-01 5.28 -2.789183982e-01 -2.789183982e-01 5.30 -2.694500730e-01 -2.694500730e-01 5.32 -2.602187642e-01 -2.602187642e-01 5.34 -2.512155771e-01 -2.512155771e-01 5.36 -2.424340179e-01 -2.424340179e-01 5.38 -2.338701608e-01 -2.338701608e-01 5.40 -2.255226796e-01 -2.255226796e-01 5.42 -2.173927271e-01 -2.173927271e-01 5.44 -2.094836532e-01 -2.094836532e-01 5.46 -2.018005680e-01 -2.018005680e-01 5.48 -1.943497698e-01 -1.943497698e-01 5.50 -1.871380749e-01 -1.871380749e-01 5.52 -1.801721045e-01 -1.801721045e-01 5.54 -1.734575854e-01 -1.734575854e-01 5.56 -1.669987260e-01 -1.669987260e-01 5.58 -1.607977187e-01 -1.607977187e-01 5.60 -1.548542750e-01 -1.548542750e-01 5.62 -1.491654688e-01 -1.491654688e-01 5.64 -1.437263712e-01 -1.437263712e-01 5.66 -1.385296835e-01 -1.385296835e-01 5.68 -1.335660061e-01 -1.335660061e-01 5.70 -1.288242181e-01 -1.288242181e-01 5.72 -1.242918904e-01 -1.242918904e-01 5.74 -1.199556939e-01 -1.199556939e-01 5.76 -1.158017779e-01 -1.158017779e-01 5.78 -1.118160985e-01 -1.118160985e-01 5.80 -1.079846904e-01 -1.079846904e-01 5.82 -1.042938781e-01 -1.042938781e-01 5.84 -1.007304327e-01 -1.007304327e-01 5.86 -9.728167991e-02 -9.728167991e-02 5.88 -9.393556920e-02 -9.393556920e-02 5.90 -9.068071429e-02 -9.068071429e-02 5.92 -8.750641422e-02 -8.750641422e-02 5.94 -8.440266403e-02 -8.440266403e-02 5.96 -8.136016259e-02 -8.136016259e-02 5.98 -7.837032425e-02 -7.837032425e-02 6.00 -7.542529911e-02 -7.542529911e-02