# 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 = AuTa2Zr # 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 4.258531729e+02 4.258531729e+02 1.30 3.963074972e+02 3.963074972e+02 1.32 3.689069261e+02 3.689069261e+02 1.34 3.434850259e+02 3.434850259e+02 1.36 3.198851431e+02 3.198851431e+02 1.38 2.979604891e+02 2.979604891e+02 1.40 2.775748601e+02 2.775748601e+02 1.42 2.586034685e+02 2.586034685e+02 1.44 2.409331174e+02 2.409331174e+02 1.46 2.244617864e+02 2.244617864e+02 1.48 2.090980259e+02 2.090980259e+02 1.50 1.947602972e+02 1.947602972e+02 1.52 1.813758457e+02 1.813758457e+02 1.54 1.688790050e+02 1.688790050e+02 1.56 1.572091775e+02 1.572091775e+02 1.58 1.463093596e+02 1.463093596e+02 1.60 1.361256543e+02 1.361256543e+02 1.62 1.266075592e+02 1.266075592e+02 1.64 1.177083955e+02 1.177083955e+02 1.66 1.093854309e+02 1.093854309e+02 1.68 1.015996270e+02 1.015996270e+02 1.70 9.431509336e+01 9.431509336e+01 1.72 8.749856994e+01 8.749856994e+01 1.74 8.111902406e+01 8.111902406e+01 1.76 7.514737997e+01 7.514737997e+01 1.78 6.955632258e+01 6.955632258e+01 1.80 6.432013914e+01 6.432013914e+01 1.82 5.941461777e+01 5.941461777e+01 1.84 5.481697904e+01 5.481697904e+01 1.86 5.050587404e+01 5.050587404e+01 1.88 4.646139892e+01 4.646139892e+01 1.90 4.266519795e+01 4.266519795e+01 1.92 3.910056704e+01 3.910056704e+01 1.94 3.575256275e+01 3.575256275e+01 1.96 3.260797812e+01 3.260797812e+01 1.98 2.965552289e+01 2.965552289e+01 2.00 2.689144119e+01 2.689144119e+01 2.02 2.431045098e+01 2.431045098e+01 2.04 2.191171899e+01 2.191171899e+01 2.06 1.968529264e+01 1.968529264e+01 2.08 1.762017003e+01 1.762017003e+01 2.10 1.570550045e+01 1.570550045e+01 2.12 1.393076084e+01 1.393076084e+01 2.14 1.228592686e+01 1.228592686e+01 2.16 1.076160998e+01 1.076160998e+01 2.18 9.349122911e+00 9.349122911e+00 2.20 8.040486286e+00 8.040486286e+00 2.22 6.828374465e+00 6.828374465e+00 2.24 5.706042812e+00 5.706042812e+00 2.26 4.667249373e+00 4.667249373e+00 2.28 3.706196165e+00 3.706196165e+00 2.30 2.817457745e+00 2.817457745e+00 2.32 1.995937978e+00 1.995937978e+00 2.34 1.236842656e+00 1.236842656e+00 2.36 5.356567915e-01 5.356567915e-01 2.38 -1.118485265e-01 -1.118485265e-01 2.40 -7.095983868e-01 -7.095983868e-01 2.42 -1.261200671e+00 -1.261200671e+00 2.44 -1.769940314e+00 -1.769940314e+00 2.46 -2.238801786e+00 -2.238801786e+00 2.48 -2.670505510e+00 -2.670505510e+00 2.50 -3.067552080e+00 -3.067552080e+00 2.52 -3.432260765e+00 -3.432260765e+00 2.54 -3.766794624e+00 -3.766794624e+00 2.56 -4.073172604e+00 -4.073172604e+00 2.58 -4.353274462e+00 -4.353274462e+00 2.60 -4.608844705e+00 -4.608844705e+00 2.62 -4.841496681e+00 -4.841496681e+00 2.64 -5.052726907e+00 -5.052726907e+00 2.66 -5.243910856e+00 -5.243910856e+00 2.68 -5.416318269e+00 -5.416318269e+00 2.70 -5.571117921e+00 -5.571117921e+00 2.72 -5.709385090e+00 -5.709385090e+00 2.74 -5.832062146e+00 -5.832062146e+00 2.76 -5.939930126e+00 -5.939930126e+00 2.78 -6.033952722e+00 -6.033952722e+00 2.80 -6.115035861e+00 -6.115035861e+00 2.82 -6.184020088e+00 -6.184020088e+00 2.84 -6.241700289e+00 -6.241700289e+00 2.86 -6.288724912e+00 -6.288724912e+00 2.88 -6.325700852e+00 -6.325700852e+00 2.90 -6.353208850e+00 -6.353208850e+00 2.92 -6.371782293e+00 -6.371782293e+00 2.94 -6.381694305e+00 -6.381694305e+00 2.96 -6.383118180e+00 -6.383118180e+00 2.98 -6.376272002e+00 -6.376272002e+00 3.00 -6.361390817e+00 -6.361390817e+00 3.02 -6.338642082e+00 -6.338642082e+00 3.04 -6.308196248e+00 -6.308196248e+00 3.06 -6.270254332e+00 -6.270254332e+00 3.08 -6.225033346e+00 -6.225033346e+00 3.10 -6.172762268e+00 -6.172762268e+00 3.12 -6.113675443e+00 -6.113675443e+00 3.14 -6.048023353e+00 -6.048023353e+00 3.16 -5.976074984e+00 -5.976074984e+00 3.18 -5.898165053e+00 -5.898165053e+00 3.20 -5.814555620e+00 -5.814555620e+00 3.22 -5.725548869e+00 -5.725548869e+00 3.24 -5.631512795e+00 -5.631512795e+00 3.26 -5.532887081e+00 -5.532887081e+00 3.28 -5.430183319e+00 -5.430183319e+00 3.30 -5.323977267e+00 -5.323977267e+00 3.32 -5.214891998e+00 -5.214891998e+00 3.34 -5.103572473e+00 -5.103572473e+00 3.36 -4.990651123e+00 -4.990651123e+00 3.38 -4.876718495e+00 -4.876718495e+00 3.40 -4.762298392e+00 -4.762298392e+00 3.42 -4.647830897e+00 -4.647830897e+00 3.44 -4.533656623e+00 -4.533656623e+00 3.46 -4.420018123e+00 -4.420018123e+00 3.48 -4.307064346e+00 -4.307064346e+00 3.50 -4.194861239e+00 -4.194861239e+00 3.52 -4.083405506e+00 -4.083405506e+00 3.54 -3.972639863e+00 -3.972639863e+00 3.56 -3.862468599e+00 -3.862468599e+00 3.58 -3.752772762e+00 -3.752772762e+00 3.60 -3.643424624e+00 -3.643424624e+00 3.62 -3.534301307e+00 -3.534301307e+00 3.64 -3.425297557e+00 -3.425297557e+00 3.66 -3.316337633e+00 -3.316337633e+00 3.68 -3.207386175e+00 -3.207386175e+00 3.70 -3.098457773e+00 -3.098457773e+00 3.72 -2.989624790e+00 -2.989624790e+00 3.74 -2.881022817e+00 -2.881022817e+00 3.76 -2.772853100e+00 -2.772853100e+00 3.78 -2.665381253e+00 -2.665381253e+00 3.80 -2.558931751e+00 -2.558931751e+00 3.82 -2.453877947e+00 -2.453877947e+00 3.84 -2.350627826e+00 -2.350627826e+00 3.86 -2.249606159e+00 -2.249606159e+00 3.88 -2.151234308e+00 -2.151234308e+00 3.90 -2.055909370e+00 -2.055909370e+00 3.92 -1.963983277e+00 -1.963983277e+00 3.94 -1.875752017e+00 -1.875752017e+00 3.96 -1.791435217e+00 -1.791435217e+00 3.98 -1.711176334e+00 -1.711176334e+00 4.00 -1.635040705e+00 -1.635040705e+00 4.02 -1.563020288e+00 -1.563020288e+00 4.04 -1.495042265e+00 -1.495042265e+00 4.06 -1.430980110e+00 -1.430980110e+00 4.08 -1.370665744e+00 -1.370665744e+00 4.10 -1.313896199e+00 -1.313896199e+00 4.12 -1.260467535e+00 -1.260467535e+00 4.14 -1.210148707e+00 -1.210148707e+00 4.16 -1.162714916e+00 -1.162714916e+00 4.18 -1.117947220e+00 -1.117947220e+00 4.20 -1.075637221e+00 -1.075637221e+00 4.22 -1.035590261e+00 -1.035590261e+00 4.24 -9.976273202e-01 -9.976273202e-01 4.26 -9.615858068e-01 -9.615858068e-01 4.28 -9.273194522e-01 -9.273194522e-01 4.30 -8.946974904e-01 -8.946974904e-01 4.32 -8.636033207e-01 -8.636033207e-01 4.34 -8.339328369e-01 -8.339328369e-01 4.36 -8.055926051e-01 -8.055926051e-01 4.38 -7.784980543e-01 -7.784980543e-01 4.40 -7.525718170e-01 -7.525718170e-01 4.42 -7.277423184e-01 -7.277423184e-01 4.44 -7.039426659e-01 -7.039426659e-01 4.46 -6.811098488e-01 -6.811098488e-01 4.48 -6.591842174e-01 -6.591842174e-01 4.50 -6.381091868e-01 -6.381091868e-01 4.52 -6.178311035e-01 -6.178311035e-01 4.54 -5.982992085e-01 -5.982992085e-01 4.56 -5.794654392e-01 -5.794654392e-01 4.58 -5.612848500e-01 -5.612848500e-01 4.60 -5.437156101e-01 -5.437156101e-01 4.62 -5.267186660e-01 -5.267186660e-01 4.64 -5.102577407e-01 -5.102577407e-01 4.66 -4.942992983e-01 -4.942992983e-01 4.68 -4.788124908e-01 -4.788124908e-01 4.70 -4.637691038e-01 -4.637691038e-01 4.72 -4.491435118e-01 -4.491435118e-01 4.74 -4.349126536e-01 -4.349126536e-01 4.76 -4.210560286e-01 -4.210560286e-01 4.78 -4.075557137e-01 -4.075557137e-01 4.80 -3.943932158e-01 -3.943932158e-01 4.82 -3.815627563e-01 -3.815627563e-01 4.84 -3.690504972e-01 -3.690504972e-01 4.86 -3.568490626e-01 -3.568490626e-01 4.88 -3.449536241e-01 -3.449536241e-01 4.90 -3.333617422e-01 -3.333617422e-01 4.92 -3.220731140e-01 -3.220731140e-01 4.94 -3.110892176e-01 -3.110892176e-01 4.96 -3.004128587e-01 -3.004128587e-01 4.98 -2.900476338e-01 -2.900476338e-01 5.00 -2.799973393e-01 -2.799973393e-01 5.02 -2.702653659e-01 -2.702653659e-01 5.04 -2.608541221e-01 -2.608541221e-01 5.06 -2.517645338e-01 -2.517645338e-01 5.08 -2.429956547e-01 -2.429956547e-01 5.10 -2.345444192e-01 -2.345444192e-01 5.12 -2.264055456e-01 -2.264055456e-01 5.14 -2.185715899e-01 -2.185715899e-01 5.16 -2.110331323e-01 -2.110331323e-01 5.18 -2.037790707e-01 -2.037790707e-01 5.20 -1.967969903e-01 -1.967969903e-01 5.22 -1.900735774e-01 -1.900735774e-01 5.24 -1.835950480e-01 -1.835950480e-01 5.26 -1.773475673e-01 -1.773475673e-01 5.28 -1.713176403e-01 -1.713176403e-01 5.30 -1.654924608e-01 -1.654924608e-01 5.32 -1.598602068e-01 -1.598602068e-01 5.34 -1.544102779e-01 -1.544102779e-01 5.36 -1.491334648e-01 -1.491334648e-01 5.38 -1.440220491e-01 -1.440220491e-01 5.40 -1.390698275e-01 -1.390698275e-01 5.42 -1.342720577e-01 -1.342720577e-01 5.44 -1.296253287e-01 -1.296253287e-01 5.46 -1.251273594e-01 -1.251273594e-01 5.48 -1.207767371e-01 -1.207767371e-01 5.50 -1.165726146e-01 -1.165726146e-01 5.52 -1.125143886e-01 -1.125143886e-01 5.54 -1.086013832e-01 -1.086013832e-01 5.56 -1.048325653e-01 -1.048325653e-01 5.58 -1.012063135e-01 -1.012063135e-01 5.60 -9.772014801e-02 -9.772014801e-02 5.62 -9.437079965e-02 -9.437079965e-02 5.64 -9.115429920e-02 -9.115429920e-02 5.66 -8.806583171e-02 -8.806583171e-02 5.68 -8.509983989e-02 -8.509983989e-02 5.70 -8.225016054e-02 -8.225016054e-02 5.72 -7.951017617e-02 -7.951017617e-02 5.74 -7.687296720e-02 -7.687296720e-02 5.76 -7.433145331e-02 -7.433145331e-02 5.78 -7.187851678e-02 -7.187851678e-02 5.80 -6.950710408e-02 -6.950710408e-02 5.82 -6.721030504e-02 -6.721030504e-02 5.84 -6.498141128e-02 -6.498141128e-02 5.86 -6.281395704e-02 -6.281395704e-02 5.88 -6.070174619e-02 -6.070174619e-02 5.90 -5.863886976e-02 -5.863886976e-02 5.92 -5.661971806e-02 -5.661971806e-02 5.94 -5.463899126e-02 -5.463899126e-02 5.96 -5.269171197e-02 -5.269171197e-02 5.98 -5.077324252e-02 -5.077324252e-02 6.00 -4.887930793e-02 -4.887930793e-02