# 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 = AgAlTa2 # 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 2.862617267e+02 2.862617267e+02 1.30 2.659260556e+02 2.659260556e+02 1.32 2.470769009e+02 2.470769009e+02 1.34 2.295932531e+02 2.295932531e+02 1.36 2.133641835e+02 2.133641835e+02 1.38 1.982892461e+02 1.982892461e+02 1.40 1.842779484e+02 1.842779484e+02 1.42 1.712486236e+02 1.712486236e+02 1.44 1.591270425e+02 1.591270425e+02 1.46 1.478451399e+02 1.478451399e+02 1.48 1.373401538e+02 1.373401538e+02 1.50 1.275540841e+02 1.275540841e+02 1.52 1.184331885e+02 1.184331885e+02 1.54 1.099275171e+02 1.099275171e+02 1.56 1.019907350e+02 1.019907350e+02 1.58 9.458029296e+01 9.458029296e+01 1.60 8.765765556e+01 8.765765556e+01 1.62 8.118825652e+01 8.118825652e+01 1.64 7.514109715e+01 7.514109715e+01 1.66 6.948814972e+01 6.948814972e+01 1.68 6.420377602e+01 6.420377602e+01 1.70 5.926427274e+01 5.926427274e+01 1.72 5.464753430e+01 5.464753430e+01 1.74 5.033278417e+01 5.033278417e+01 1.76 4.630036712e+01 4.630036712e+01 1.78 4.253163636e+01 4.253163636e+01 1.80 3.900895919e+01 3.900895919e+01 1.82 3.572111202e+01 3.572111202e+01 1.84 3.265677675e+01 3.265677675e+01 1.86 2.980107006e+01 2.980107006e+01 1.88 2.714026737e+01 2.714026737e+01 1.90 2.466182637e+01 2.466182637e+01 1.92 2.235610391e+01 2.235610391e+01 1.94 2.021339216e+01 2.021339216e+01 1.96 1.822316158e+01 1.822316158e+01 1.98 1.637536999e+01 1.637536999e+01 2.00 1.466038570e+01 1.466038570e+01 2.02 1.306896198e+01 1.306896198e+01 2.04 1.159227537e+01 1.159227537e+01 2.06 1.022201304e+01 1.022201304e+01 2.08 8.950468711e+00 8.950468711e+00 2.10 7.770604962e+00 7.770604962e+00 2.12 6.676059746e+00 6.676059746e+00 2.14 5.661101613e+00 5.661101613e+00 2.16 4.720554055e+00 4.720554055e+00 2.18 3.849710925e+00 3.849710925e+00 2.20 3.044256370e+00 3.044256370e+00 2.22 2.300192275e+00 2.300192275e+00 2.24 1.613770600e+00 1.613770600e+00 2.26 9.814286949e-01 9.814286949e-01 2.28 3.997303016e-01 3.997303016e-01 2.30 -1.346805071e-01 -1.346805071e-01 2.32 -6.251038417e-01 -6.251038417e-01 2.34 -1.074780601e+00 -1.074780601e+00 2.36 -1.486861144e+00 -1.486861144e+00 2.38 -1.864353574e+00 -1.864353574e+00 2.40 -2.210065818e+00 -2.210065818e+00 2.42 -2.526557651e+00 -2.526557651e+00 2.44 -2.816115253e+00 -2.816115253e+00 2.46 -3.080753285e+00 -3.080753285e+00 2.48 -3.322241481e+00 -3.322241481e+00 2.50 -3.542089516e+00 -3.542089516e+00 2.52 -3.741545668e+00 -3.741545668e+00 2.54 -3.922132783e+00 -3.922132783e+00 2.56 -4.085310369e+00 -4.085310369e+00 2.58 -4.232468443e+00 -4.232468443e+00 2.60 -4.364948421e+00 -4.364948421e+00 2.62 -4.484039412e+00 -4.484039412e+00 2.64 -4.590953811e+00 -4.590953811e+00 2.66 -4.686717333e+00 -4.686717333e+00 2.68 -4.771884033e+00 -4.771884033e+00 2.70 -4.846870494e+00 -4.846870494e+00 2.72 -4.912065870e+00 -4.912065870e+00 2.74 -4.967820476e+00 -4.967820476e+00 2.76 -5.014446590e+00 -5.014446590e+00 2.78 -5.052225736e+00 -5.052225736e+00 2.80 -5.081417925e+00 -5.081417925e+00 2.82 -5.102270257e+00 -5.102270257e+00 2.84 -5.115024014e+00 -5.115024014e+00 2.86 -5.119920181e+00 -5.119920181e+00 2.88 -5.117203744e+00 -5.117203744e+00 2.90 -5.107127041e+00 -5.107127041e+00 2.92 -5.089952332e+00 -5.089952332e+00 2.94 -5.065953625e+00 -5.065953625e+00 2.96 -5.035417708e+00 -5.035417708e+00 2.98 -4.998644267e+00 -4.998644267e+00 3.00 -4.955965173e+00 -4.955965173e+00 3.02 -4.908262910e+00 -4.908262910e+00 3.04 -4.855915541e+00 -4.855915541e+00 3.06 -4.799004790e+00 -4.799004790e+00 3.08 -4.737643360e+00 -4.737643360e+00 3.10 -4.671968700e+00 -4.671968700e+00 3.12 -4.602138909e+00 -4.602138909e+00 3.14 -4.528331829e+00 -4.528331829e+00 3.16 -4.450747769e+00 -4.450747769e+00 3.18 -4.369617601e+00 -4.369617601e+00 3.20 -4.285219900e+00 -4.285219900e+00 3.22 -4.197881436e+00 -4.197881436e+00 3.24 -4.108023504e+00 -4.108023504e+00 3.26 -4.016110458e+00 -4.016110458e+00 3.28 -3.922555581e+00 -3.922555581e+00 3.30 -3.827823141e+00 -3.827823141e+00 3.32 -3.732411384e+00 -3.732411384e+00 3.34 -3.636828478e+00 -3.636828478e+00 3.36 -3.541565783e+00 -3.541565783e+00 3.38 -3.447071479e+00 -3.447071479e+00 3.40 -3.353727531e+00 -3.353727531e+00 3.42 -3.261833163e+00 -3.261833163e+00 3.44 -3.171599469e+00 -3.171599469e+00 3.46 -3.083143558e+00 -3.083143558e+00 3.48 -2.996490245e+00 -2.996490245e+00 3.50 -2.911582088e+00 -2.911582088e+00 3.52 -2.828293148e+00 -2.828293148e+00 3.54 -2.746444800e+00 -2.746444800e+00 3.56 -2.665822195e+00 -2.665822195e+00 3.58 -2.586190403e+00 -2.586190403e+00 3.60 -2.507309636e+00 -2.507309636e+00 3.62 -2.428949334e+00 -2.428949334e+00 3.64 -2.350901016e+00 -2.350901016e+00 3.66 -2.272989956e+00 -2.272989956e+00 3.68 -2.195085589e+00 -2.195085589e+00 3.70 -2.117110496e+00 -2.117110496e+00 3.72 -2.039047596e+00 -2.039047596e+00 3.74 -1.960945003e+00 -1.960945003e+00 3.76 -1.882917952e+00 -1.882917952e+00 3.78 -1.805147182e+00 -1.805147182e+00 3.80 -1.727873359e+00 -1.727873359e+00 3.82 -1.651387427e+00 -1.651387427e+00 3.84 -1.576017232e+00 -1.576017232e+00 3.86 -1.502111208e+00 -1.502111208e+00 3.88 -1.430020373e+00 -1.430020373e+00 3.90 -1.360080126e+00 -1.360080126e+00 3.92 -1.292593427e+00 -1.292593427e+00 3.94 -1.227816784e+00 -1.227816784e+00 3.96 -1.165950030e+00 -1.165950030e+00 3.98 -1.107130514e+00 -1.107130514e+00 4.00 -1.051431677e+00 -1.051431677e+00 4.02 -9.988656117e-01 -9.988656117e-01 4.04 -9.493888531e-01 -9.493888531e-01 4.06 -9.029104700e-01 -9.029104700e-01 4.08 -8.593015173e-01 -8.593015173e-01 4.10 -8.184049714e-01 -8.184049714e-01 4.12 -7.800455331e-01 -7.800455331e-01 4.14 -7.440385658e-01 -7.440385658e-01 4.16 -7.101981200e-01 -7.101981200e-01 4.18 -6.783436160e-01 -6.783436160e-01 4.20 -6.483051775e-01 -6.483051775e-01 4.22 -6.199275680e-01 -6.199275680e-01 4.24 -5.930727351e-01 -5.930727351e-01 4.26 -5.676209992e-01 -5.676209992e-01 4.28 -5.434709592e-01 -5.434709592e-01 4.30 -5.205382366e-01 -5.205382366e-01 4.32 -4.987532449e-01 -4.987532449e-01 4.34 -4.780582436e-01 -4.780582436e-01 4.36 -4.584039943e-01 -4.584039943e-01 4.38 -4.397463683e-01 -4.397463683e-01 4.40 -4.220432370e-01 -4.220432370e-01 4.42 -4.052519252e-01 -4.052519252e-01 4.44 -3.893273854e-01 -3.893273854e-01 4.46 -3.742211558e-01 -3.742211558e-01 4.48 -3.598810477e-01 -3.598810477e-01 4.50 -3.462514524e-01 -3.462514524e-01 4.52 -3.332740703e-01 -3.332740703e-01 4.54 -3.208888694e-01 -3.208888694e-01 4.56 -3.090348934e-01 -3.090348934e-01 4.58 -2.976518946e-01 -2.976518946e-01 4.60 -2.866809548e-01 -2.866809548e-01 4.62 -2.760650730e-01 -2.760650730e-01 4.64 -2.657498280e-01 -2.657498280e-01 4.66 -2.556836571e-01 -2.556836571e-01 4.68 -2.458189625e-01 -2.458189625e-01 4.70 -2.361122141e-01 -2.361122141e-01 4.72 -2.265241654e-01 -2.265241654e-01 4.74 -2.170203477e-01 -2.170203477e-01 4.76 -2.075715945e-01 -2.075715945e-01 4.78 -1.981546073e-01 -1.981546073e-01 4.80 -1.887525453e-01 -1.887525453e-01 4.82 -1.793556452e-01 -1.793556452e-01 4.84 -1.699617187e-01 -1.699617187e-01 4.86 -1.605765932e-01 -1.605765932e-01 4.88 -1.512143071e-01 -1.512143071e-01 4.90 -1.418970209e-01 -1.418970209e-01 4.92 -1.326545606e-01 -1.326545606e-01 4.94 -1.235235437e-01 -1.235235437e-01 4.96 -1.145460770e-01 -1.145460770e-01 4.98 -1.057680574e-01 -1.057680574e-01 5.00 -9.723716534e-02 -9.723716534e-02 5.02 -8.900067928e-02 -8.900067928e-02 5.04 -8.110327555e-02 -8.110327555e-02 5.06 -7.358498776e-02 -7.358498776e-02 5.08 -6.647948610e-02 -6.647948610e-02 5.10 -5.981280207e-02 -5.981280207e-02 5.12 -5.360257256e-02 -5.360257256e-02 5.14 -4.785782224e-02 -4.785782224e-02 5.16 -4.257923132e-02 -4.257923132e-02 5.18 -3.775982940e-02 -3.775982940e-02 5.20 -3.338599879e-02 -3.338599879e-02 5.22 -2.943866530e-02 -2.943866530e-02 5.24 -2.589456335e-02 -2.589456335e-02 5.26 -2.272746465e-02 -2.272746465e-02 5.28 -1.990933024e-02 -1.990933024e-02 5.30 -1.741130626e-02 -1.741130626e-02 5.32 -1.520421077e-02 -1.520421077e-02 5.34 -1.326009769e-02 -1.326009769e-02 5.36 -1.155236412e-02 -1.155236412e-02 5.38 -1.005585401e-02 -1.005585401e-02 5.40 -8.747130836e-03 -8.747130836e-03 5.42 -7.604626693e-03 -7.604626693e-03 5.44 -6.608695544e-03 -6.608695544e-03 5.46 -5.741594971e-03 -5.741594971e-03 5.48 -4.987417213e-03 -4.987417213e-03 5.50 -4.331986337e-03 -4.331986337e-03 5.52 -3.762734826e-03 -3.762734826e-03 5.54 -3.268569720e-03 -3.268569720e-03 5.56 -2.839735755e-03 -2.839735755e-03 5.58 -2.467680802e-03 -2.467680802e-03 5.60 -2.144927164e-03 -2.144927164e-03 5.62 -1.864950986e-03 -1.864950986e-03 5.64 -1.622071035e-03 -1.622071035e-03 5.66 -1.411347389e-03 -1.411347389e-03 5.68 -1.228490060e-03 -1.228490060e-03 5.70 -1.069777246e-03 -1.069777246e-03 5.72 -9.319826691e-04 -9.319826691e-04 5.74 -8.123113517e-04 -8.123113517e-04 5.76 -7.083430903e-04 -7.083430903e-04 5.78 -6.179829034e-04 -6.179829034e-04 5.80 -5.394177203e-04 -5.394177203e-04 5.82 -4.710786239e-04 -4.710786239e-04 5.84 -4.116080057e-04 -4.116080057e-04 5.86 -3.598310432e-04 -3.598310432e-04 5.88 -3.147309679e-04 -3.147309679e-04 5.90 -2.754276439e-04 -2.754276439e-04 5.92 -2.411590327e-04 -2.411590327e-04 5.94 -2.112651657e-04 -2.112651657e-04 5.96 -1.851742944e-04 -1.851742944e-04 5.98 -1.623909275e-04 -1.623909275e-04 6.00 -1.424854989e-04 -1.424854989e-04