# 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 = Co2PbPt # 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 2.777339319e+02 2.777339319e+02 1.30 2.582223580e+02 2.582223580e+02 1.32 2.400743137e+02 2.400743137e+02 1.34 2.231877028e+02 2.231877028e+02 1.36 2.074698600e+02 2.074698600e+02 1.38 1.928328198e+02 1.928328198e+02 1.40 1.791921275e+02 1.791921275e+02 1.42 1.664688435e+02 1.664688435e+02 1.44 1.545918577e+02 1.545918577e+02 1.46 1.434990248e+02 1.434990248e+02 1.48 1.331364174e+02 1.331364174e+02 1.50 1.234556005e+02 1.234556005e+02 1.52 1.144105407e+02 1.144105407e+02 1.54 1.059561240e+02 1.059561240e+02 1.56 9.804836666e+01 9.804836666e+01 1.58 9.064538299e+01 9.064538299e+01 1.60 8.370817674e+01 8.370817674e+01 1.62 7.720112081e+01 7.720112081e+01 1.64 7.109230164e+01 7.109230164e+01 1.66 6.535382243e+01 6.535382243e+01 1.68 5.996176913e+01 5.996176913e+01 1.70 5.490180389e+01 5.490180389e+01 1.72 5.021522978e+01 5.021522978e+01 1.74 4.589263131e+01 4.589263131e+01 1.76 4.190723711e+01 4.190723711e+01 1.78 3.823274910e+01 3.823274910e+01 1.80 3.484371623e+01 3.484371623e+01 1.82 3.171629678e+01 3.171629678e+01 1.84 2.882887887e+01 2.882887887e+01 1.86 2.616228179e+01 2.616228179e+01 1.88 2.369955210e+01 2.369955210e+01 1.90 2.142550499e+01 2.142550499e+01 1.92 1.932621778e+01 1.932621778e+01 1.94 1.738870595e+01 1.738870595e+01 1.96 1.560081465e+01 1.560081465e+01 1.98 1.395124566e+01 1.395124566e+01 2.00 1.242956275e+01 1.242956275e+01 2.02 1.102613017e+01 1.102613017e+01 2.04 9.732034599e+00 9.732034599e+00 2.06 8.539039002e+00 8.539039002e+00 2.08 7.439560463e+00 7.439560463e+00 2.10 6.426632811e+00 6.426632811e+00 2.12 5.493852272e+00 5.493852272e+00 2.14 4.635309747e+00 4.635309747e+00 2.16 3.845539198e+00 3.845539198e+00 2.18 3.119489927e+00 3.119489927e+00 2.20 2.452512628e+00 2.452512628e+00 2.22 1.840348151e+00 1.840348151e+00 2.24 1.279106012e+00 1.279106012e+00 2.26 7.652331789e-01 7.652331789e-01 2.28 2.954760743e-01 2.954760743e-01 2.30 -1.331569466e-01 -1.331569466e-01 2.32 -5.234364627e-01 -5.234364627e-01 2.34 -8.779409872e-01 -8.779409872e-01 2.36 -1.199088587e+00 -1.199088587e+00 2.38 -1.489158366e+00 -1.489158366e+00 2.40 -1.750308104e+00 -1.750308104e+00 2.42 -1.985457970e+00 -1.985457970e+00 2.44 -2.197228828e+00 -2.197228828e+00 2.46 -2.387073020e+00 -2.387073020e+00 2.48 -2.556461841e+00 -2.556461841e+00 2.50 -2.706884395e+00 -2.706884395e+00 2.52 -2.839836548e+00 -2.839836548e+00 2.54 -2.956799233e+00 -2.956799233e+00 2.56 -3.059211851e+00 -3.059211851e+00 2.58 -3.148509790e+00 -3.148509790e+00 2.60 -3.225885190e+00 -3.225885190e+00 2.62 -3.292353647e+00 -3.292353647e+00 2.64 -3.348802523e+00 -3.348802523e+00 2.66 -3.395985017e+00 -3.395985017e+00 2.68 -3.434534289e+00 -3.434534289e+00 2.70 -3.464984315e+00 -3.464984315e+00 2.72 -3.487794955e+00 -3.487794955e+00 2.74 -3.503367660e+00 -3.503367660e+00 2.76 -3.512002663e+00 -3.512002663e+00 2.78 -3.513955043e+00 -3.513955043e+00 2.80 -3.509487656e+00 -3.509487656e+00 2.82 -3.498871213e+00 -3.498871213e+00 2.84 -3.482387115e+00 -3.482387115e+00 2.86 -3.460332044e+00 -3.460332044e+00 2.88 -3.433025750e+00 -3.433025750e+00 2.90 -3.400820979e+00 -3.400820979e+00 2.92 -3.364113397e+00 -3.364113397e+00 2.94 -3.323348331e+00 -3.323348331e+00 2.96 -3.279020822e+00 -3.279020822e+00 2.98 -3.231666388e+00 -3.231666388e+00 3.00 -3.181842030e+00 -3.181842030e+00 3.02 -3.130099831e+00 -3.130099831e+00 3.04 -3.076956986e+00 -3.076956986e+00 3.06 -3.022873617e+00 -3.022873617e+00 3.08 -2.968228529e+00 -2.968228529e+00 3.10 -2.913316156e+00 -2.913316156e+00 3.12 -2.858348050e+00 -2.858348050e+00 3.14 -2.803467044e+00 -2.803467044e+00 3.16 -2.748781345e+00 -2.748781345e+00 3.18 -2.694457565e+00 -2.694457565e+00 3.20 -2.640579327e+00 -2.640579327e+00 3.22 -2.587184945e+00 -2.587184945e+00 3.24 -2.534296953e+00 -2.534296953e+00 3.26 -2.481930278e+00 -2.481930278e+00 3.28 -2.430096944e+00 -2.430096944e+00 3.30 -2.378808664e+00 -2.378808664e+00 3.32 -2.328078281e+00 -2.328078281e+00 3.34 -2.277919399e+00 -2.277919399e+00 3.36 -2.228340836e+00 -2.228340836e+00 3.38 -2.179351654e+00 -2.179351654e+00 3.40 -2.130964648e+00 -2.130964648e+00 3.42 -2.083195835e+00 -2.083195835e+00 3.44 -2.036062283e+00 -2.036062283e+00 3.46 -1.989581492e+00 -1.989581492e+00 3.48 -1.943769958e+00 -1.943769958e+00 3.50 -1.898642053e+00 -1.898642053e+00 3.52 -1.854209077e+00 -1.854209077e+00 3.54 -1.810478565e+00 -1.810478565e+00 3.56 -1.767453862e+00 -1.767453862e+00 3.58 -1.725133997e+00 -1.725133997e+00 3.60 -1.683513855e+00 -1.683513855e+00 3.62 -1.642584642e+00 -1.642584642e+00 3.64 -1.602334608e+00 -1.602334608e+00 3.66 -1.562749952e+00 -1.562749952e+00 3.68 -1.523815822e+00 -1.523815822e+00 3.70 -1.485517277e+00 -1.485517277e+00 3.72 -1.447840084e+00 -1.447840084e+00 3.74 -1.410771247e+00 -1.410771247e+00 3.76 -1.374299193e+00 -1.374299193e+00 3.78 -1.338413616e+00 -1.338413616e+00 3.80 -1.303105042e+00 -1.303105042e+00 3.82 -1.268364210e+00 -1.268364210e+00 3.84 -1.234181393e+00 -1.234181393e+00 3.86 -1.200545775e+00 -1.200545775e+00 3.88 -1.167444963e+00 -1.167444963e+00 3.90 -1.134864680e+00 -1.134864680e+00 3.92 -1.102788467e+00 -1.102788467e+00 3.94 -1.071198718e+00 -1.071198718e+00 3.96 -1.040075652e+00 -1.040075652e+00 3.98 -1.009398950e+00 -1.009398950e+00 4.00 -9.791484012e-01 -9.791484012e-01 4.02 -9.493050849e-01 -9.493050849e-01 4.04 -9.198528092e-01 -9.198528092e-01 4.06 -8.907797581e-01 -8.907797581e-01 4.08 -8.620802461e-01 -8.620802461e-01 4.10 -8.337555028e-01 -8.337555028e-01 4.12 -8.058190430e-01 -8.058190430e-01 4.14 -7.782915525e-01 -7.782915525e-01 4.16 -7.512054950e-01 -7.512054950e-01 4.18 -7.246033899e-01 -7.246033899e-01 4.20 -6.985362309e-01 -6.985362309e-01 4.22 -6.730609316e-01 -6.730609316e-01 4.24 -6.482369649e-01 -6.482369649e-01 4.26 -6.241224950e-01 -6.241224950e-01 4.28 -6.007703936e-01 -6.007703936e-01 4.30 -5.782245566e-01 -5.782245566e-01 4.32 -5.565169014e-01 -5.565169014e-01 4.34 -5.356653265e-01 -5.356653265e-01 4.36 -5.156727779e-01 -5.156727779e-01 4.38 -4.965274244e-01 -4.965274244e-01 4.40 -4.782038074e-01 -4.782038074e-01 4.42 -4.606647330e-01 -4.606647330e-01 4.44 -4.438636267e-01 -4.438636267e-01 4.46 -4.277470668e-01 -4.277470668e-01 4.48 -4.122572561e-01 -4.122572561e-01 4.50 -3.973342616e-01 -3.973342616e-01 4.52 -3.829179226e-01 -3.829179226e-01 4.54 -3.689494036e-01 -3.689494036e-01 4.56 -3.553724157e-01 -3.553724157e-01 4.58 -3.421341699e-01 -3.421341699e-01 4.60 -3.291861333e-01 -3.291861333e-01 4.62 -3.164846641e-01 -3.164846641e-01 4.64 -3.039915858e-01 -3.039915858e-01 4.66 -2.916747404e-01 -2.916747404e-01 4.68 -2.795085379e-01 -2.795085379e-01 4.70 -2.674744930e-01 -2.674744930e-01 4.72 -2.555617137e-01 -2.555617137e-01 4.74 -2.437672855e-01 -2.437672855e-01 4.76 -2.320964816e-01 -2.320964816e-01 4.78 -2.205627204e-01 -2.205627204e-01 4.80 -2.091864262e-01 -2.091864262e-01 4.82 -1.979975251e-01 -1.979975251e-01 4.84 -1.870292691e-01 -1.870292691e-01 4.86 -1.763202648e-01 -1.763202648e-01 4.88 -1.659117530e-01 -1.659117530e-01 4.90 -1.558456097e-01 -1.558456097e-01 4.92 -1.461622827e-01 -1.461622827e-01 4.94 -1.368988023e-01 -1.368988023e-01 4.96 -1.280870107e-01 -1.280870107e-01 4.98 -1.197521309e-01 -1.197521309e-01 5.00 -1.119117621e-01 -1.119117621e-01 5.02 -1.045753584e-01 -1.045753584e-01 5.04 -9.774419338e-02 -9.774419338e-02 5.06 -9.141177395e-02 -9.141177395e-02 5.08 -8.556432405e-02 -8.556432405e-02 5.10 -8.018213139e-02 -8.018213139e-02 5.12 -7.524159442e-02 -7.524159442e-02 5.14 -7.071556465e-02 -7.071556465e-02 5.16 -6.657462261e-02 -6.657462261e-02 5.18 -6.278826267e-02 -6.278826267e-02 5.20 -5.932590886e-02 -5.932590886e-02 5.22 -5.615772015e-02 -5.615772015e-02 5.24 -5.325519698e-02 -5.325519698e-02 5.26 -5.059159831e-02 -5.059159831e-02 5.28 -4.814219316e-02 -4.814219316e-02 5.30 -4.588440022e-02 -4.588440022e-02 5.32 -4.379814660e-02 -4.379814660e-02 5.34 -4.186494828e-02 -4.186494828e-02 5.36 -4.006813587e-02 -4.006813587e-02 5.38 -3.839291500e-02 -3.839291500e-02 5.40 -3.682618448e-02 -3.682618448e-02 5.42 -3.535635457e-02 -3.535635457e-02 5.44 -3.397317294e-02 -3.397317294e-02 5.46 -3.266756308e-02 -3.266756308e-02 5.48 -3.143147762e-02 -3.143147762e-02 5.50 -3.025776767e-02 -3.025776767e-02 5.52 -2.914006773e-02 -2.914006773e-02 5.54 -2.807269551e-02 -2.807269551e-02 5.56 -2.705056508e-02 -2.705056508e-02 5.58 -2.606911227e-02 -2.606911227e-02 5.60 -2.512423070e-02 -2.512423070e-02 5.62 -2.421221732e-02 -2.421221732e-02 5.64 -2.332972631e-02 -2.332972631e-02 5.66 -2.247373053e-02 -2.247373053e-02 5.68 -2.164148984e-02 -2.164148984e-02 5.70 -2.083052569e-02 -2.083052569e-02 5.72 -2.003860139e-02 -2.003860139e-02 5.74 -1.926370775e-02 -1.926370775e-02 5.76 -1.850405363e-02 -1.850405363e-02 5.78 -1.775806103e-02 -1.775806103e-02 5.80 -1.702436407e-02 -1.702436407e-02 5.82 -1.630181156e-02 -1.630181156e-02 5.84 -1.558947209e-02 -1.558947209e-02 5.86 -1.488664110e-02 -1.488664110e-02 5.88 -1.419284854e-02 -1.419284854e-02 5.90 -1.350786629e-02 -1.350786629e-02 5.92 -1.283171356e-02 -1.283171356e-02 5.94 -1.216465141e-02 -1.216465141e-02 5.96 -1.150713466e-02 -1.150713466e-02 5.98 -1.085991881e-02 -1.085991881e-02 6.00 -1.022399725e-02 -1.022399725e-02