# 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 = AlCoPt2 # 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 2.476363495e+02 2.476363495e+02 1.30 2.305657770e+02 2.305657770e+02 1.32 2.146143858e+02 2.146143858e+02 1.34 1.997025664e+02 1.997025664e+02 1.36 1.857581814e+02 1.857581814e+02 1.38 1.727116833e+02 1.727116833e+02 1.40 1.604966222e+02 1.604966222e+02 1.42 1.490534239e+02 1.490534239e+02 1.44 1.383306470e+02 1.383306470e+02 1.46 1.282838099e+02 1.282838099e+02 1.48 1.188738770e+02 1.188738770e+02 1.50 1.100643909e+02 1.100643909e+02 1.52 1.018174652e+02 1.018174652e+02 1.54 9.409161275e+01 9.409161275e+01 1.56 8.684282716e+01 8.684282716e+01 1.58 8.002742501e+01 8.002742501e+01 1.60 7.360469426e+01 7.360469426e+01 1.62 6.753873058e+01 6.753873058e+01 1.64 6.179974890e+01 6.179974890e+01 1.66 5.636485347e+01 5.636485347e+01 1.68 5.121770354e+01 5.121770354e+01 1.70 4.634683783e+01 4.634683783e+01 1.72 4.181298794e+01 4.181298794e+01 1.74 3.766025168e+01 3.766025168e+01 1.76 3.386073425e+01 3.386073425e+01 1.78 3.038396792e+01 3.038396792e+01 1.80 2.719978287e+01 2.719978287e+01 1.82 2.428037504e+01 2.428037504e+01 1.84 2.160175781e+01 2.160175781e+01 1.86 1.914412300e+01 1.914412300e+01 1.88 1.689113423e+01 1.689113423e+01 1.90 1.482856393e+01 1.482856393e+01 1.92 1.294292730e+01 1.294292730e+01 1.94 1.122073153e+01 1.122073153e+01 1.96 9.648529637e+00 9.648529637e+00 1.98 8.213433813e+00 8.213433813e+00 2.00 6.903570958e+00 6.903570958e+00 2.02 5.708223828e+00 5.708223828e+00 2.04 4.617733888e+00 4.617733888e+00 2.06 3.623345481e+00 3.623345481e+00 2.08 2.717081474e+00 2.717081474e+00 2.10 1.891645584e+00 1.891645584e+00 2.12 1.140331069e+00 1.140331069e+00 2.14 4.569429143e-01 4.569429143e-01 2.16 -1.642452640e-01 -1.642452640e-01 2.18 -7.284930301e-01 -7.284930301e-01 2.20 -1.240571188e+00 -1.240571188e+00 2.22 -1.704743638e+00 -1.704743638e+00 2.24 -2.124771842e+00 -2.124771842e+00 2.26 -2.503945218e+00 -2.503945218e+00 2.28 -2.845130715e+00 -2.845130715e+00 2.30 -3.150832994e+00 -3.150832994e+00 2.32 -3.423259579e+00 -3.423259579e+00 2.34 -3.664387990e+00 -3.664387990e+00 2.36 -3.876033396e+00 -3.876033396e+00 2.38 -4.059914548e+00 -4.059914548e+00 2.40 -4.217714137e+00 -4.217714137e+00 2.42 -4.351127986e+00 -4.351127986e+00 2.44 -4.461897422e+00 -4.461897422e+00 2.46 -4.551867164e+00 -4.551867164e+00 2.48 -4.624947335e+00 -4.624947335e+00 2.50 -4.683565115e+00 -4.683565115e+00 2.52 -4.728916115e+00 -4.728916115e+00 2.54 -4.762293735e+00 -4.762293735e+00 2.56 -4.785036146e+00 -4.785036146e+00 2.58 -4.798464533e+00 -4.798464533e+00 2.60 -4.803820072e+00 -4.803820072e+00 2.62 -4.802208582e+00 -4.802208582e+00 2.64 -4.794570993e+00 -4.794570993e+00 2.66 -4.781669510e+00 -4.781669510e+00 2.68 -4.764010001e+00 -4.764010001e+00 2.70 -4.741925308e+00 -4.741925308e+00 2.72 -4.715611581e+00 -4.715611581e+00 2.74 -4.685163979e+00 -4.685163979e+00 2.76 -4.650612199e+00 -4.650612199e+00 2.78 -4.611951180e+00 -4.611951180e+00 2.80 -4.569238107e+00 -4.569238107e+00 2.82 -4.522949152e+00 -4.522949152e+00 2.84 -4.473024561e+00 -4.473024561e+00 2.86 -4.419329735e+00 -4.419329735e+00 2.88 -4.361817327e+00 -4.361817327e+00 2.90 -4.300551836e+00 -4.300551836e+00 2.92 -4.235721358e+00 -4.235721358e+00 2.94 -4.167643536e+00 -4.167643536e+00 2.96 -4.096759812e+00 -4.096759812e+00 2.98 -4.023614025e+00 -4.023614025e+00 3.00 -3.948818306e+00 -3.948818306e+00 3.02 -3.873011189e+00 -3.873011189e+00 3.04 -3.796797606e+00 -3.796797606e+00 3.06 -3.720704354e+00 -3.720704354e+00 3.08 -3.645151475e+00 -3.645151475e+00 3.10 -3.570440566e+00 -3.570440566e+00 3.12 -3.496758255e+00 -3.496758255e+00 3.14 -3.424190831e+00 -3.424190831e+00 3.16 -3.352744912e+00 -3.352744912e+00 3.18 -3.282370070e+00 -3.282370070e+00 3.20 -3.212980070e+00 -3.212980070e+00 3.22 -3.144470983e+00 -3.144470983e+00 3.24 -3.076735422e+00 -3.076735422e+00 3.26 -3.009672905e+00 -3.009672905e+00 3.28 -2.943196791e+00 -2.943196791e+00 3.30 -2.877238395e+00 -2.877238395e+00 3.32 -2.811749401e+00 -2.811749401e+00 3.34 -2.746737062e+00 -2.746737062e+00 3.36 -2.682277379e+00 -2.682277379e+00 3.38 -2.618451165e+00 -2.618451165e+00 3.40 -2.555338111e+00 -2.555338111e+00 3.42 -2.493016253e+00 -2.493016253e+00 3.44 -2.431560828e+00 -2.431560828e+00 3.46 -2.371042884e+00 -2.371042884e+00 3.48 -2.311527820e+00 -2.311527820e+00 3.50 -2.253074027e+00 -2.253074027e+00 3.52 -2.195731730e+00 -2.195731730e+00 3.54 -2.139542074e+00 -2.139542074e+00 3.56 -2.084536477e+00 -2.084536477e+00 3.58 -2.030736258e+00 -2.030736258e+00 3.60 -1.978152515e+00 -1.978152515e+00 3.62 -1.926786260e+00 -1.926786260e+00 3.64 -1.876628790e+00 -1.876628790e+00 3.66 -1.827662286e+00 -1.827662286e+00 3.68 -1.779860624e+00 -1.779860624e+00 3.70 -1.733190371e+00 -1.733190371e+00 3.72 -1.687611932e+00 -1.687611932e+00 3.74 -1.643080795e+00 -1.643080795e+00 3.76 -1.599548822e+00 -1.599548822e+00 3.78 -1.556965520e+00 -1.556965520e+00 3.80 -1.515279242e+00 -1.515279242e+00 3.82 -1.474438272e+00 -1.474438272e+00 3.84 -1.434391777e+00 -1.434391777e+00 3.86 -1.395090610e+00 -1.395090610e+00 3.88 -1.356487980e+00 -1.356487980e+00 3.90 -1.318540025e+00 -1.318540025e+00 3.92 -1.281206306e+00 -1.281206306e+00 3.94 -1.244450303e+00 -1.244450303e+00 3.96 -1.208239876e+00 -1.208239876e+00 3.98 -1.172547832e+00 -1.172547832e+00 4.00 -1.137352534e+00 -1.137352534e+00 4.02 -1.102638584e+00 -1.102638584e+00 4.04 -1.068397545e+00 -1.068397545e+00 4.06 -1.034628644e+00 -1.034628644e+00 4.08 -1.001339347e+00 -1.001339347e+00 4.10 -9.685456705e-01 -9.685456705e-01 4.12 -9.362721695e-01 -9.362721695e-01 4.14 -9.045513028e-01 -9.045513028e-01 4.16 -8.734223455e-01 -8.734223455e-01 4.18 -8.429296667e-01 -8.429296667e-01 4.20 -8.131205387e-01 -8.131205387e-01 4.22 -7.840426286e-01 -7.840426286e-01 4.24 -7.557413830e-01 -7.557413830e-01 4.26 -7.282575155e-01 -7.282575155e-01 4.28 -7.016247695e-01 -7.016247695e-01 4.30 -6.758680666e-01 -6.758680666e-01 4.32 -6.510020936e-01 -6.510020936e-01 4.34 -6.270303412e-01 -6.270303412e-01 4.36 -6.039445941e-01 -6.039445941e-01 4.38 -5.817248689e-01 -5.817248689e-01 4.40 -5.603397970e-01 -5.603397970e-01 4.42 -5.397474346e-01 -5.397474346e-01 4.44 -5.198964571e-01 -5.198964571e-01 4.46 -5.007276676e-01 -5.007276676e-01 4.48 -4.821757264e-01 -4.821757264e-01 4.50 -4.641710019e-01 -4.641710019e-01 4.52 -4.466414535e-01 -4.466414535e-01 4.54 -4.295144810e-01 -4.295144810e-01 4.56 -4.127187057e-01 -4.127187057e-01 4.58 -3.961856764e-01 -3.961856764e-01 4.60 -3.798515148e-01 -3.798515148e-01 4.62 -3.636585272e-01 -3.636585272e-01 4.64 -3.475568008e-01 -3.475568008e-01 4.66 -3.315057915e-01 -3.315057915e-01 4.68 -3.154758784e-01 -3.154758784e-01 4.70 -2.994498265e-01 -2.994498265e-01 4.72 -2.834240605e-01 -2.834240605e-01 4.74 -2.674096179e-01 -2.674096179e-01 4.76 -2.514326276e-01 -2.514326276e-01 4.78 -2.355341568e-01 -2.355341568e-01 4.80 -2.197692880e-01 -2.197692880e-01 4.82 -2.042053855e-01 -2.042053855e-01 4.84 -1.889194512e-01 -1.889194512e-01 4.86 -1.739948097e-01 -1.739948097e-01 4.88 -1.595172142e-01 -1.595172142e-01 4.90 -1.455707027e-01 -1.455707027e-01 4.92 -1.322335281e-01 -1.322335281e-01 4.94 -1.195745000e-01 -1.195745000e-01 4.96 -1.076500267e-01 -1.076500267e-01 4.98 -9.650206422e-02 -9.650206422e-02 5.00 -8.615706834e-02 -8.615706834e-02 5.02 -7.662593686e-02 -7.662593686e-02 5.04 -6.790482932e-02 -6.790482932e-02 5.06 -5.997668474e-02 -5.997668474e-02 5.08 -5.281322103e-02 -5.281322103e-02 5.10 -4.637719494e-02 -4.637719494e-02 5.12 -4.062472373e-02 -4.062472373e-02 5.14 -3.550751446e-02 -3.550751446e-02 5.16 -3.097486320e-02 -3.097486320e-02 5.18 -2.697536624e-02 -2.697536624e-02 5.20 -2.345832134e-02 -2.345832134e-02 5.22 -2.037483239e-02 -2.037483239e-02 5.24 -1.767857154e-02 -1.767857154e-02 5.26 -1.532619556e-02 -1.532619556e-02 5.28 -1.327770985e-02 -1.327770985e-02 5.30 -1.149825962e-02 -1.149825962e-02 5.32 -9.954458195e-03 -9.954458195e-03 5.34 -8.616270836e-03 -8.616270836e-03 5.36 -7.457169462e-03 -7.457169462e-03 5.38 -6.453801426e-03 -6.453801426e-03 5.40 -5.585670301e-03 -5.585670301e-03 5.42 -4.834834197e-03 -4.834834197e-03 5.44 -4.185624647e-03 -4.185624647e-03 5.46 -3.624387549e-03 -3.624387549e-03 5.48 -3.139246592e-03 -3.139246592e-03 5.50 -2.719888889e-03 -2.719888889e-03 5.52 -2.357372091e-03 -2.357372091e-03 5.54 -2.043951870e-03 -2.043951870e-03 5.56 -1.772928475e-03 -1.772928475e-03 5.58 -1.538510920e-03 -1.538510920e-03 5.60 -1.335697294e-03 -1.335697294e-03 5.62 -1.160169697e-03 -1.160169697e-03 5.64 -1.008202311e-03 -1.008202311e-03 5.66 -8.765812149e-04 -8.765812149e-04 5.68 -7.625346138e-04 -7.625346138e-04 5.70 -6.636722710e-04 -6.636722710e-04 5.72 -5.779330203e-04 -5.779330203e-04 5.74 -5.035393591e-04 -5.035393591e-04 5.76 -4.389582160e-04 -4.389582160e-04 5.78 -3.828670934e-04 -3.828670934e-04 5.80 -3.341248726e-04 -3.341248726e-04 5.82 -2.917466593e-04 -2.917466593e-04 5.84 -2.548821210e-04 -2.548821210e-04 5.86 -2.227968399e-04 -2.227968399e-04 5.88 -1.948562659e-04 -1.948562659e-04 5.90 -1.705119105e-04 -1.705119105e-04 5.92 -1.492894676e-04 -1.492894676e-04 5.94 -1.307785949e-04 -1.307785949e-04 5.96 -1.146241207e-04 -1.146241207e-04 5.98 -1.005184778e-04 -1.005184778e-04 6.00 -8.819519125e-05 -8.819519125e-05