# 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 = Ag2CoCu # 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 1.810653848e+02 1.810653848e+02 1.30 1.669463403e+02 1.669463403e+02 1.32 1.539227747e+02 1.539227747e+02 1.34 1.419043589e+02 1.419043589e+02 1.36 1.308087782e+02 1.308087782e+02 1.38 1.205614139e+02 1.205614139e+02 1.40 1.110945336e+02 1.110945336e+02 1.42 1.023463200e+02 1.023463200e+02 1.44 9.425982770e+01 9.425982770e+01 1.46 8.678221504e+01 8.678221504e+01 1.48 7.986463087e+01 7.986463087e+01 1.50 7.346251432e+01 7.346251432e+01 1.52 6.753566149e+01 6.753566149e+01 1.54 6.204776013e+01 6.204776013e+01 1.56 5.696566902e+01 5.696566902e+01 1.58 5.225886064e+01 5.225886064e+01 1.60 4.789997689e+01 4.789997689e+01 1.62 4.386645112e+01 4.386645112e+01 1.64 4.013462821e+01 4.013462821e+01 1.66 3.668223741e+01 3.668223741e+01 1.68 3.348861494e+01 3.348861494e+01 1.70 3.053456848e+01 3.053456848e+01 1.72 2.780229881e+01 2.780229881e+01 1.74 2.527528585e+01 2.527528585e+01 1.76 2.293815872e+01 2.293815872e+01 1.78 2.077663810e+01 2.077663810e+01 1.80 1.877757263e+01 1.877757263e+01 1.82 1.692898834e+01 1.692898834e+01 1.84 1.522005370e+01 1.522005370e+01 1.86 1.364093577e+01 1.364093577e+01 1.88 1.218259426e+01 1.218259426e+01 1.90 1.083657895e+01 1.083657895e+01 1.92 9.594881129e+00 9.594881129e+00 1.94 8.449868222e+00 8.449868222e+00 1.96 7.394300787e+00 7.394300787e+00 1.98 6.421397965e+00 6.421397965e+00 2.00 5.524904066e+00 5.524904066e+00 2.02 4.699122105e+00 4.699122105e+00 2.04 3.938900368e+00 3.938900368e+00 2.06 3.239574888e+00 3.239574888e+00 2.08 2.596885461e+00 2.596885461e+00 2.10 2.006890419e+00 2.006890419e+00 2.12 1.465900157e+00 1.465900157e+00 2.14 9.704369868e-01 9.704369868e-01 2.16 5.172186249e-01 5.172186249e-01 2.18 1.031574938e-01 1.031574938e-01 2.20 -2.746334220e-01 -2.746334220e-01 2.22 -6.188367810e-01 -6.188367810e-01 2.24 -9.319348471e-01 -9.319348471e-01 2.26 -1.216222782e+00 -1.216222782e+00 2.28 -1.473828894e+00 -1.473828894e+00 2.30 -1.706736323e+00 -1.706736323e+00 2.32 -1.916799271e+00 -1.916799271e+00 2.34 -2.105748839e+00 -2.105748839e+00 2.36 -2.275189435e+00 -2.275189435e+00 2.38 -2.426593343e+00 -2.426593343e+00 2.40 -2.561340905e+00 -2.561340905e+00 2.42 -2.680633753e+00 -2.680633753e+00 2.44 -2.785540414e+00 -2.785540414e+00 2.46 -2.877062780e+00 -2.877062780e+00 2.48 -2.956154627e+00 -2.956154627e+00 2.50 -3.023735030e+00 -3.023735030e+00 2.52 -3.080696818e+00 -3.080696818e+00 2.54 -3.128096312e+00 -3.128096312e+00 2.56 -3.166752146e+00 -3.166752146e+00 2.58 -3.197149713e+00 -3.197149713e+00 2.60 -3.219824340e+00 -3.219824340e+00 2.62 -3.235347425e+00 -3.235347425e+00 2.64 -3.244301302e+00 -3.244301302e+00 2.66 -3.247253803e+00 -3.247253803e+00 2.68 -3.244752356e+00 -3.244752356e+00 2.70 -3.237515098e+00 -3.237515098e+00 2.72 -3.225907135e+00 -3.225907135e+00 2.74 -3.210150630e+00 -3.210150630e+00 2.76 -3.190467608e+00 -3.190467608e+00 2.78 -3.167073878e+00 -3.167073878e+00 2.80 -3.140174604e+00 -3.140174604e+00 2.82 -3.109962311e+00 -3.109962311e+00 2.84 -3.076617976e+00 -3.076617976e+00 2.86 -3.040322814e+00 -3.040322814e+00 2.88 -3.001264504e+00 -3.001264504e+00 2.90 -2.959629152e+00 -2.959629152e+00 2.92 -2.915606208e+00 -2.915606208e+00 2.94 -2.869393939e+00 -2.869393939e+00 2.96 -2.821204283e+00 -2.821204283e+00 2.98 -2.771266734e+00 -2.771266734e+00 3.00 -2.719830463e+00 -2.719830463e+00 3.02 -2.667163558e+00 -2.667163558e+00 3.04 -2.613548327e+00 -2.613548327e+00 3.06 -2.559272303e+00 -2.559272303e+00 3.08 -2.504615842e+00 -2.504615842e+00 3.10 -2.449838469e+00 -2.449838469e+00 3.12 -2.395166730e+00 -2.395166730e+00 3.14 -2.340785980e+00 -2.340785980e+00 3.16 -2.286837294e+00 -2.286837294e+00 3.18 -2.233419397e+00 -2.233419397e+00 3.20 -2.180594356e+00 -2.180594356e+00 3.22 -2.128395363e+00 -2.128395363e+00 3.24 -2.076835079e+00 -2.076835079e+00 3.26 -2.025913370e+00 -2.025913370e+00 3.28 -1.975623821e+00 -1.975623821e+00 3.30 -1.925958765e+00 -1.925958765e+00 3.32 -1.876912854e+00 -1.876912854e+00 3.34 -1.828485311e+00 -1.828485311e+00 3.36 -1.780681059e+00 -1.780681059e+00 3.38 -1.733510920e+00 -1.733510920e+00 3.40 -1.686991089e+00 -1.686991089e+00 3.42 -1.641142069e+00 -1.641142069e+00 3.44 -1.595987263e+00 -1.595987263e+00 3.46 -1.551551396e+00 -1.551551396e+00 3.48 -1.507858933e+00 -1.507858933e+00 3.50 -1.464932619e+00 -1.464932619e+00 3.52 -1.422792241e+00 -1.422792241e+00 3.54 -1.381453670e+00 -1.381453670e+00 3.56 -1.340928221e+00 -1.340928221e+00 3.58 -1.301222341e+00 -1.301222341e+00 3.60 -1.262337611e+00 -1.262337611e+00 3.62 -1.224271058e+00 -1.224271058e+00 3.64 -1.187015760e+00 -1.187015760e+00 3.66 -1.150561693e+00 -1.150561693e+00 3.68 -1.114896811e+00 -1.114896811e+00 3.70 -1.080008260e+00 -1.080008260e+00 3.72 -1.045883671e+00 -1.045883671e+00 3.74 -1.012512390e+00 -1.012512390e+00 3.76 -9.798865191e-01 -9.798865191e-01 3.78 -9.480016167e-01 -9.480016167e-01 3.80 -9.168569176e-01 -9.168569176e-01 3.82 -8.864549893e-01 -8.864549893e-01 3.84 -8.568008090e-01 -8.568008090e-01 3.86 -8.279003491e-01 -8.279003491e-01 3.88 -7.997588474e-01 -7.997588474e-01 3.90 -7.723790079e-01 -7.723790079e-01 3.92 -7.457593902e-01 -7.457593902e-01 3.94 -7.198932111e-01 -7.198932111e-01 3.96 -6.947676831e-01 -6.947676831e-01 3.98 -6.703639364e-01 -6.703639364e-01 4.00 -6.466574549e-01 -6.466574549e-01 4.02 -6.236189115e-01 -6.236189115e-01 4.04 -6.012152654e-01 -6.012152654e-01 4.06 -5.794109925e-01 -5.794109925e-01 4.08 -5.581693607e-01 -5.581693607e-01 4.10 -5.374536904e-01 -5.374536904e-01 4.12 -5.172285913e-01 -5.172285913e-01 4.14 -4.974611395e-01 -4.974611395e-01 4.16 -4.781220327e-01 -4.781220327e-01 4.18 -4.591866757e-01 -4.591866757e-01 4.20 -4.406361704e-01 -4.406361704e-01 4.22 -4.224581459e-01 -4.224581459e-01 4.24 -4.046473432e-01 -4.046473432e-01 4.26 -3.872058655e-01 -3.872058655e-01 4.28 -3.701430178e-01 -3.701430178e-01 4.30 -3.534746922e-01 -3.534746922e-01 4.32 -3.372223083e-01 -3.372223083e-01 4.34 -3.214113727e-01 -3.214113727e-01 4.36 -3.060697681e-01 -3.060697681e-01 4.38 -2.912259070e-01 -2.912259070e-01 4.40 -2.769068903e-01 -2.769068903e-01 4.42 -2.631367885e-01 -2.631367885e-01 4.44 -2.499351405e-01 -2.499351405e-01 4.46 -2.373157332e-01 -2.373157332e-01 4.48 -2.252857078e-01 -2.252857078e-01 4.50 -2.138450208e-01 -2.138450208e-01 4.52 -2.029862742e-01 -2.029862742e-01 4.54 -1.926949105e-01 -1.926949105e-01 4.56 -1.829497471e-01 -1.829497471e-01 4.58 -1.737237993e-01 -1.737237993e-01 4.60 -1.649853221e-01 -1.649853221e-01 4.62 -1.566989881e-01 -1.566989881e-01 4.64 -1.488271184e-01 -1.488271184e-01 4.66 -1.413308934e-01 -1.413308934e-01 4.68 -1.341714891e-01 -1.341714891e-01 4.70 -1.273111041e-01 -1.273111041e-01 4.72 -1.207138636e-01 -1.207138636e-01 4.74 -1.143466020e-01 -1.143466020e-01 4.76 -1.081795335e-01 -1.081795335e-01 4.78 -1.021868239e-01 -1.021868239e-01 4.80 -9.634706886e-02 -9.634706886e-02 4.82 -9.064368631e-02 -9.064368631e-02 4.84 -8.506518894e-02 -8.506518894e-02 4.86 -7.960533925e-02 -7.960533925e-02 4.88 -7.426313624e-02 -7.426313624e-02 4.90 -6.904260441e-02 -6.904260441e-02 4.92 -6.395235637e-02 -6.395235637e-02 4.94 -5.900491647e-02 -5.900491647e-02 4.96 -5.421581216e-02 -5.421581216e-02 4.98 -4.960219390e-02 -4.960219390e-02 5.00 -4.518221237e-02 -4.518221237e-02 5.02 -4.097368799e-02 -4.097368799e-02 5.04 -3.699268946e-02 -3.699268946e-02 5.06 -3.325253830e-02 -3.325253830e-02 5.08 -2.976305355e-02 -2.976305355e-02 5.10 -2.653008060e-02 -2.653008060e-02 5.12 -2.355531452e-02 -2.355531452e-02 5.14 -2.083639963e-02 -2.083639963e-02 5.16 -1.836725791e-02 -1.836725791e-02 5.18 -1.613858736e-02 -1.613858736e-02 5.20 -1.413835013e-02 -1.413835013e-02 5.22 -1.235247122e-02 -1.235247122e-02 5.24 -1.076591632e-02 -1.076591632e-02 5.26 -9.362844890e-03 -9.362844890e-03 5.28 -8.127132852e-03 -8.127132852e-03 5.30 -7.042824200e-03 -7.042824200e-03 5.32 -6.094484766e-03 -6.094484766e-03 5.34 -5.267462596e-03 -5.267462596e-03 5.36 -4.548064595e-03 -4.548064595e-03 5.38 -3.923661854e-03 -3.923661854e-03 5.40 -3.382736979e-03 -3.382736979e-03 5.42 -2.914886381e-03 -2.914886381e-03 5.44 -2.510789221e-03 -2.510789221e-03 5.46 -2.162153117e-03 -2.162153117e-03 5.48 -1.861644889e-03 -1.861644889e-03 5.50 -1.602812916e-03 -1.602812916e-03 5.52 -1.380006116e-03 -1.380006116e-03 5.54 -1.188293190e-03 -1.188293190e-03 5.56 -1.023384701e-03 -1.023384701e-03 5.58 -8.815596446e-04 -8.815596446e-04 5.60 -7.595975103e-04 -7.595975103e-04 5.62 -6.547163150e-04 -6.547163150e-04 5.64 -5.645167346e-04 -5.645167346e-04 5.66 -4.869321987e-04 -4.869321987e-04 5.68 -4.201846541e-04 -4.201846541e-04 5.70 -3.627456004e-04 -3.627456004e-04 5.72 -3.133019500e-04 -3.133019500e-04 5.74 -2.707262457e-04 -2.707262457e-04 5.76 -2.340507749e-04 -2.340507749e-04 5.78 -2.024451385e-04 -2.024451385e-04 5.80 -1.751968640e-04 -1.751968640e-04 5.82 -1.516946834e-04 -1.516946834e-04 5.84 -1.314141365e-04 -1.314141365e-04 5.86 -1.139051924e-04 -1.139051924e-04 5.88 -9.878161935e-05 -9.878161935e-05 5.90 -8.571186450e-05 -8.571186450e-05 5.92 -7.441123467e-05 -7.441123467e-05 5.94 -6.463519617e-05 -6.463519617e-05 5.96 -5.617363617e-05 -5.617363617e-05 5.98 -4.884594872e-05 -4.884594872e-05 6.00 -4.249682785e-05 -4.249682785e-05