# 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 = NiTaZr2 # 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 3.107902936e+02 3.107902936e+02 1.30 2.883930419e+02 2.883930419e+02 1.32 2.676341331e+02 2.676341331e+02 1.34 2.483843747e+02 2.483843747e+02 1.36 2.305272349e+02 2.305272349e+02 1.38 2.139577087e+02 2.139577087e+02 1.40 1.985804671e+02 1.985804671e+02 1.42 1.843073821e+02 1.843073821e+02 1.44 1.710553510e+02 1.710553510e+02 1.46 1.587452927e+02 1.587452927e+02 1.48 1.473023409e+02 1.473023409e+02 1.50 1.366565235e+02 1.366565235e+02 1.52 1.267434374e+02 1.267434374e+02 1.54 1.175046553e+02 1.175046553e+02 1.56 1.088878720e+02 1.088878720e+02 1.58 1.008467283e+02 1.008467283e+02 1.60 9.334023233e+01 9.334023233e+01 1.62 8.633185456e+01 8.633185456e+01 1.64 7.978861266e+01 7.978861266e+01 1.66 7.368031288e+01 7.368031288e+01 1.68 6.797904054e+01 6.797904054e+01 1.70 6.265893626e+01 6.265893626e+01 1.72 5.769599199e+01 5.769599199e+01 1.74 5.306783171e+01 5.306783171e+01 1.76 4.875344107e+01 4.875344107e+01 1.78 4.473295209e+01 4.473295209e+01 1.80 4.098746073e+01 4.098746073e+01 1.82 3.749892137e+01 3.749892137e+01 1.84 3.425001688e+01 3.425001688e+01 1.86 3.122419649e+01 3.122419649e+01 1.88 2.840575332e+01 2.840575332e+01 1.90 2.577993185e+01 2.577993185e+01 1.92 2.333296601e+01 2.333296601e+01 1.94 2.105206080e+01 2.105206080e+01 1.96 1.892533038e+01 1.892533038e+01 1.98 1.694192746e+01 1.694192746e+01 2.00 1.509453333e+01 1.509453333e+01 2.02 1.337605237e+01 1.337605237e+01 2.04 1.177775916e+01 1.177775916e+01 2.06 1.029165196e+01 1.029165196e+01 2.08 8.910345650e+00 8.910345650e+00 2.10 7.626980917e+00 7.626980917e+00 2.12 6.435168226e+00 6.435168226e+00 2.14 5.328959795e+00 5.328959795e+00 2.16 4.302850439e+00 4.302850439e+00 2.18 3.351753113e+00 3.351753113e+00 2.20 2.470960208e+00 2.470960208e+00 2.22 1.656061671e+00 1.656061671e+00 2.24 9.028812749e-01 9.028812749e-01 2.26 2.074428614e-01 2.074428614e-01 2.28 -4.340495010e-01 -4.340495010e-01 2.30 -1.025180763e+00 -1.025180763e+00 2.32 -1.569359204e+00 -1.569359204e+00 2.34 -2.069792302e+00 -2.069792302e+00 2.36 -2.529520127e+00 -2.529520127e+00 2.38 -2.951414320e+00 -2.951414320e+00 2.40 -3.338176504e+00 -3.338176504e+00 2.42 -3.692343950e+00 -3.692343950e+00 2.44 -4.016286748e+00 -4.016286748e+00 2.46 -4.312222279e+00 -4.312222279e+00 2.48 -4.582219176e+00 -4.582219176e+00 2.50 -4.828197140e+00 -4.828197140e+00 2.52 -5.051922068e+00 -5.051922068e+00 2.54 -5.255000360e+00 -5.255000360e+00 2.56 -5.438876862e+00 -5.438876862e+00 2.58 -5.604840596e+00 -5.604840596e+00 2.60 -5.754040714e+00 -5.754040714e+00 2.62 -5.887508042e+00 -5.887508042e+00 2.64 -6.006199209e+00 -6.006199209e+00 2.66 -6.111000452e+00 -6.111000452e+00 2.68 -6.202766795e+00 -6.202766795e+00 2.70 -6.282330987e+00 -6.282330987e+00 2.72 -6.350508805e+00 -6.350508805e+00 2.74 -6.408096465e+00 -6.408096465e+00 2.76 -6.455861709e+00 -6.455861709e+00 2.78 -6.494521360e+00 -6.494521360e+00 2.80 -6.524688746e+00 -6.524688746e+00 2.82 -6.547108878e+00 -6.547108878e+00 2.84 -6.562359010e+00 -6.562359010e+00 2.86 -6.570879141e+00 -6.570879141e+00 2.88 -6.573077993e+00 -6.573077993e+00 2.90 -6.569338859e+00 -6.569338859e+00 2.92 -6.560025056e+00 -6.560025056e+00 2.94 -6.545483808e+00 -6.545483808e+00 2.96 -6.526048236e+00 -6.526048236e+00 2.98 -6.502023421e+00 -6.502023421e+00 3.00 -6.473474360e+00 -6.473474360e+00 3.02 -6.440301442e+00 -6.440301442e+00 3.04 -6.402454933e+00 -6.402454933e+00 3.06 -6.359947913e+00 -6.359947913e+00 3.08 -6.312827605e+00 -6.312827605e+00 3.10 -6.261186194e+00 -6.261186194e+00 3.12 -6.205149259e+00 -6.205149259e+00 3.14 -6.144889070e+00 -6.144889070e+00 3.16 -6.080597513e+00 -6.080597513e+00 3.18 -6.012501462e+00 -6.012501462e+00 3.20 -5.940809570e+00 -5.940809570e+00 3.22 -5.865651208e+00 -5.865651208e+00 3.24 -5.787181058e+00 -5.787181058e+00 3.26 -5.705596096e+00 -5.705596096e+00 3.28 -5.621134066e+00 -5.621134066e+00 3.30 -5.534069566e+00 -5.534069566e+00 3.32 -5.444705829e+00 -5.444705829e+00 3.34 -5.353361602e+00 -5.353361602e+00 3.36 -5.260354462e+00 -5.260354462e+00 3.38 -5.165983475e+00 -5.165983475e+00 3.40 -5.070513004e+00 -5.070513004e+00 3.42 -4.974169193e+00 -4.974169193e+00 3.44 -4.877126327e+00 -4.877126327e+00 3.46 -4.779515092e+00 -4.779515092e+00 3.48 -4.681425702e+00 -4.681425702e+00 3.50 -4.582914911e+00 -4.582914911e+00 3.52 -4.484013770e+00 -4.484013770e+00 3.54 -4.384735320e+00 -4.384735320e+00 3.56 -4.285081841e+00 -4.285081841e+00 3.58 -4.185051544e+00 -4.185051544e+00 3.60 -4.084644740e+00 -4.084644740e+00 3.62 -3.983869557e+00 -3.983869557e+00 3.64 -3.882747308e+00 -3.882747308e+00 3.66 -3.781317551e+00 -3.781317551e+00 3.68 -3.679642876e+00 -3.679642876e+00 3.70 -3.577813344e+00 -3.577813344e+00 3.72 -3.475950447e+00 -3.475950447e+00 3.74 -3.374210304e+00 -3.374210304e+00 3.76 -3.272785708e+00 -3.272785708e+00 3.78 -3.171906527e+00 -3.171906527e+00 3.80 -3.071837854e+00 -3.071837854e+00 3.82 -2.972875371e+00 -2.972875371e+00 3.84 -2.875337513e+00 -2.875337513e+00 3.86 -2.779554379e+00 -2.779554379e+00 3.88 -2.685853861e+00 -2.685853861e+00 3.90 -2.594546087e+00 -2.594546087e+00 3.92 -2.505904373e+00 -2.505904373e+00 3.94 -2.420165923e+00 -2.420165923e+00 3.96 -2.337498892e+00 -2.337498892e+00 3.98 -2.258013128e+00 -2.258013128e+00 4.00 -2.181755676e+00 -2.181755676e+00 4.02 -2.108715140e+00 -2.108715140e+00 4.04 -2.038829497e+00 -2.038829497e+00 4.06 -1.971995917e+00 -1.971995917e+00 4.08 -1.908081221e+00 -1.908081221e+00 4.10 -1.846923266e+00 -1.846923266e+00 4.12 -1.788375904e+00 -1.788375904e+00 4.14 -1.732259312e+00 -1.732259312e+00 4.16 -1.678405772e+00 -1.678405772e+00 4.18 -1.626653201e+00 -1.626653201e+00 4.20 -1.576848032e+00 -1.576848032e+00 4.22 -1.528847079e+00 -1.528847079e+00 4.24 -1.482518620e+00 -1.482518620e+00 4.26 -1.437742935e+00 -1.437742935e+00 4.28 -1.394412486e+00 -1.394412486e+00 4.30 -1.352431882e+00 -1.352431882e+00 4.32 -1.311717713e+00 -1.311717713e+00 4.34 -1.272198302e+00 -1.272198302e+00 4.36 -1.233813376e+00 -1.233813376e+00 4.38 -1.196513617e+00 -1.196513617e+00 4.40 -1.160260042e+00 -1.160260042e+00 4.42 -1.125023146e+00 -1.125023146e+00 4.44 -1.090781750e+00 -1.090781750e+00 4.46 -1.057521549e+00 -1.057521549e+00 4.48 -1.025233387e+00 -1.025233387e+00 4.50 -9.939113339e-01 -9.939113339e-01 4.52 -9.635507141e-01 -9.635507141e-01 4.54 -9.341462422e-01 -9.341462422e-01 4.56 -9.056904242e-01 -9.056904242e-01 4.58 -8.781723600e-01 -8.781723600e-01 4.60 -8.515770210e-01 -8.515770210e-01 4.62 -8.258850133e-01 -8.258850133e-01 4.64 -8.010727768e-01 -8.010727768e-01 4.66 -7.771131234e-01 -7.771131234e-01 4.68 -7.539759969e-01 -7.539759969e-01 4.70 -7.316293369e-01 -7.316293369e-01 4.72 -7.100399420e-01 -7.100399420e-01 4.74 -6.891742588e-01 -6.891742588e-01 4.76 -6.689990466e-01 -6.689990466e-01 4.78 -6.494818988e-01 -6.494818988e-01 4.80 -6.305854134e-01 -6.305854134e-01 4.82 -6.122932996e-01 -6.122932996e-01 4.84 -5.945699452e-01 -5.945699452e-01 4.86 -5.773888207e-01 -5.773888207e-01 4.88 -5.607249711e-01 -5.607249711e-01 4.90 -5.445549372e-01 -5.445549372e-01 4.92 -5.288566464e-01 -5.288566464e-01 4.94 -5.136092860e-01 -5.136092860e-01 4.96 -4.987931692e-01 -4.987931692e-01 4.98 -4.843896030e-01 -4.843896030e-01 5.00 -4.703807621e-01 -4.703807621e-01 5.02 -4.567495739e-01 -4.567495739e-01 5.04 -4.434796170e-01 -4.434796170e-01 5.06 -4.305550364e-01 -4.305550364e-01 5.08 -4.179604776e-01 -4.179604776e-01 5.10 -4.056810406e-01 -4.056810406e-01 5.12 -3.937022574e-01 -3.937022574e-01 5.14 -3.820100953e-01 -3.820100953e-01 5.16 -3.705909877e-01 -3.705909877e-01 5.18 -3.594318960e-01 -3.594318960e-01 5.20 -3.485204038e-01 -3.485204038e-01 5.22 -3.378448450e-01 -3.378448450e-01 5.24 -3.273944653e-01 -3.273944653e-01 5.26 -3.171596143e-01 -3.171596143e-01 5.28 -3.071319607e-01 -3.071319607e-01 5.30 -2.973047216e-01 -2.973047216e-01 5.32 -2.876728888e-01 -2.876728888e-01 5.34 -2.782334320e-01 -2.782334320e-01 5.36 -2.689854542e-01 -2.689854542e-01 5.38 -2.599302697e-01 -2.599302697e-01 5.40 -2.510713800e-01 -2.510713800e-01 5.42 -2.424143220e-01 -2.424143220e-01 5.44 -2.339663772e-01 -2.339663772e-01 5.46 -2.257361398e-01 -2.257361398e-01 5.48 -2.177329618e-01 -2.177329618e-01 5.50 -2.099663086e-01 -2.099663086e-01 5.52 -2.024450744e-01 -2.024450744e-01 5.54 -1.951769150e-01 -1.951769150e-01 5.56 -1.881676558e-01 -1.881676558e-01 5.58 -1.814208260e-01 -1.814208260e-01 5.60 -1.749371254e-01 -1.749371254e-01 5.62 -1.687146358e-01 -1.687146358e-01 5.64 -1.627490967e-01 -1.627490967e-01 5.66 -1.570336801e-01 -1.570336801e-01 5.68 -1.515593118e-01 -1.515593118e-01 5.70 -1.463150677e-01 -1.463150677e-01 5.72 -1.412885996e-01 -1.412885996e-01 5.74 -1.364665575e-01 -1.364665575e-01 5.76 -1.318349787e-01 -1.318349787e-01 5.78 -1.273796266e-01 -1.273796266e-01 5.80 -1.230862717e-01 -1.230862717e-01 5.82 -1.189409117e-01 -1.189409117e-01 5.84 -1.149299355e-01 -1.149299355e-01 5.86 -1.110402392e-01 -1.110402392e-01 5.88 -1.072593026e-01 -1.072593026e-01 5.90 -1.035752376e-01 -1.035752376e-01 5.92 -9.997681701e-02 -9.997681701e-02 5.94 -9.645349463e-02 -9.645349463e-02 5.96 -9.299542255e-02 -9.299542255e-02 5.98 -8.959347419e-02 -8.959347419e-02 6.00 -8.623927718e-02 -8.623927718e-02