# 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 = AuPd2W # 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 4.115035302e+02 4.115035302e+02 1.30 3.818137450e+02 3.818137450e+02 1.32 3.542669379e+02 3.542669379e+02 1.34 3.287029863e+02 3.287029863e+02 1.36 3.049813457e+02 3.049813457e+02 1.38 2.829747433e+02 2.829747433e+02 1.40 2.625634252e+02 2.625634252e+02 1.42 2.436313333e+02 2.436313333e+02 1.44 2.260651886e+02 2.260651886e+02 1.46 2.097561013e+02 2.097561013e+02 1.48 1.946018858e+02 1.946018858e+02 1.50 1.805084351e+02 1.805084351e+02 1.52 1.673899166e+02 1.673899166e+02 1.54 1.551684094e+02 1.551684094e+02 1.56 1.437733856e+02 1.437733856e+02 1.58 1.331410716e+02 1.331410716e+02 1.60 1.232137116e+02 1.232137116e+02 1.62 1.139388525e+02 1.139388525e+02 1.64 1.052687703e+02 1.052687703e+02 1.66 9.716008691e+01 9.716008691e+01 1.68 8.957350013e+01 8.957350013e+01 1.70 8.247349017e+01 8.247349017e+01 1.72 7.582794979e+01 7.582794979e+01 1.74 6.960781036e+01 6.960781036e+01 1.76 6.378692876e+01 6.378692876e+01 1.78 5.834199040e+01 5.834199040e+01 1.80 5.325583287e+01 5.325583287e+01 1.82 4.851732001e+01 4.851732001e+01 1.84 4.412787628e+01 4.412787628e+01 1.86 4.008211901e+01 4.008211901e+01 1.88 3.635568217e+01 3.635568217e+01 1.90 3.292477673e+01 3.292477673e+01 1.92 2.976642640e+01 2.976642640e+01 1.94 2.685880896e+01 2.685880896e+01 1.96 2.418157067e+01 2.418157067e+01 1.98 2.171600919e+01 2.171600919e+01 2.00 1.944508554e+01 1.944508554e+01 2.02 1.735329464e+01 1.735329464e+01 2.04 1.542646340e+01 1.542646340e+01 2.06 1.365154607e+01 1.365154607e+01 2.08 1.201646095e+01 1.201646095e+01 2.10 1.050998592e+01 1.050998592e+01 2.12 9.121711796e+00 9.121711796e+00 2.14 7.842039661e+00 7.842039661e+00 2.16 6.662198734e+00 6.662198734e+00 2.18 5.574258243e+00 5.574258243e+00 2.20 4.571113295e+00 4.571113295e+00 2.22 3.646437320e+00 3.646437320e+00 2.24 2.794605714e+00 2.794605714e+00 2.26 2.010602172e+00 2.010602172e+00 2.28 1.289920177e+00 1.289920177e+00 2.30 6.284693698e-01 6.284693698e-01 2.32 2.249250748e-02 2.249250748e-02 2.34 -5.314432317e-01 -5.314432317e-01 2.36 -1.036606993e+00 -1.036606993e+00 2.38 -1.496234197e+00 -1.496234197e+00 2.40 -1.913405697e+00 -1.913405697e+00 2.42 -2.291072344e+00 -2.291072344e+00 2.44 -2.632069644e+00 -2.632069644e+00 2.46 -2.939122808e+00 -2.939122808e+00 2.48 -3.214823325e+00 -3.214823325e+00 2.50 -3.461397010e+00 -3.461397010e+00 2.52 -3.680828486e+00 -3.680828486e+00 2.54 -3.875035299e+00 -3.875035299e+00 2.56 -4.045839702e+00 -4.045839702e+00 2.58 -4.194945265e+00 -4.194945265e+00 2.60 -4.323925680e+00 -4.323925680e+00 2.62 -4.434224660e+00 -4.434224660e+00 2.64 -4.527162916e+00 -4.527162916e+00 2.66 -4.603948096e+00 -4.603948096e+00 2.68 -4.665685383e+00 -4.665685383e+00 2.70 -4.713388121e+00 -4.713388121e+00 2.72 -4.747988467e+00 -4.747988467e+00 2.74 -4.770347941e+00 -4.770347941e+00 2.76 -4.781286396e+00 -4.781286396e+00 2.78 -4.781636620e+00 -4.781636620e+00 2.80 -4.772009445e+00 -4.772009445e+00 2.82 -4.753294318e+00 -4.753294318e+00 2.84 -4.726468445e+00 -4.726468445e+00 2.86 -4.691762082e+00 -4.691762082e+00 2.88 -4.649460787e+00 -4.649460787e+00 2.90 -4.599918081e+00 -4.599918081e+00 2.92 -4.543539923e+00 -4.543539923e+00 2.94 -4.480793916e+00 -4.480793916e+00 2.96 -4.412204031e+00 -4.412204031e+00 2.98 -4.338355291e+00 -4.338355291e+00 3.00 -4.259938169e+00 -4.259938169e+00 3.02 -4.177655486e+00 -4.177655486e+00 3.04 -4.092178039e+00 -4.092178039e+00 3.06 -4.004131710e+00 -4.004131710e+00 3.08 -3.914085225e+00 -3.914085225e+00 3.10 -3.822539624e+00 -3.822539624e+00 3.12 -3.729920694e+00 -3.729920694e+00 3.14 -3.636575660e+00 -3.636575660e+00 3.16 -3.542774918e+00 -3.542774918e+00 3.18 -3.448718751e+00 -3.448718751e+00 3.20 -3.354548137e+00 -3.354548137e+00 3.22 -3.260358285e+00 -3.260358285e+00 3.24 -3.166213436e+00 -3.166213436e+00 3.26 -3.072161658e+00 -3.072161658e+00 3.28 -2.978248715e+00 -2.978248715e+00 3.30 -2.884530372e+00 -2.884530372e+00 3.32 -2.791082681e+00 -2.791082681e+00 3.34 -2.698009916e+00 -2.698009916e+00 3.36 -2.605449825e+00 -2.605449825e+00 3.38 -2.513575916e+00 -2.513575916e+00 3.40 -2.422596565e+00 -2.422596565e+00 3.42 -2.332750879e+00 -2.332750879e+00 3.44 -2.244301483e+00 -2.244301483e+00 3.46 -2.157524702e+00 -2.157524702e+00 3.48 -2.072698894e+00 -2.072698894e+00 3.50 -1.990091947e+00 -1.990091947e+00 3.52 -1.909949071e+00 -1.909949071e+00 3.54 -1.832482021e+00 -1.832482021e+00 3.56 -1.757860670e+00 -1.757860670e+00 3.58 -1.686207545e+00 -1.686207545e+00 3.60 -1.617595574e+00 -1.617595574e+00 3.62 -1.552048895e+00 -1.552048895e+00 3.64 -1.489546267e+00 -1.489546267e+00 3.66 -1.430026447e+00 -1.430026447e+00 3.68 -1.373394809e+00 -1.373394809e+00 3.70 -1.319530494e+00 -1.319530494e+00 3.72 -1.268293523e+00 -1.268293523e+00 3.74 -1.219531418e+00 -1.219531418e+00 3.76 -1.173085044e+00 -1.173085044e+00 3.78 -1.128793533e+00 -1.128793533e+00 3.80 -1.086498242e+00 -1.086498242e+00 3.82 -1.046045803e+00 -1.046045803e+00 3.84 -1.007290364e+00 -1.007290364e+00 3.86 -9.700951400e-01 -9.700951400e-01 3.88 -9.343334309e-01 -9.343334309e-01 3.90 -8.998892315e-01 -8.998892315e-01 3.92 -8.666575666e-01 -8.666575666e-01 3.94 -8.345446561e-01 -8.345446561e-01 3.96 -8.034679792e-01 -8.034679792e-01 3.98 -7.733562915e-01 -7.733562915e-01 4.00 -7.441495870e-01 -7.441495870e-01 4.02 -7.157989738e-01 -7.157989738e-01 4.04 -6.882663925e-01 -6.882663925e-01 4.06 -6.615240899e-01 -6.615240899e-01 4.08 -6.355537600e-01 -6.355537600e-01 4.10 -6.103452954e-01 -6.103452954e-01 4.12 -5.858951562e-01 -5.858951562e-01 4.14 -5.622044016e-01 -5.622044016e-01 4.16 -5.392765600e-01 -5.392765600e-01 4.18 -5.171155028e-01 -5.171155028e-01 4.20 -4.957235372e-01 -4.957235372e-01 4.22 -4.750998859e-01 -4.750998859e-01 4.24 -4.552396514e-01 -4.552396514e-01 4.26 -4.361332747e-01 -4.361332747e-01 4.28 -4.177664163e-01 -4.177664163e-01 4.30 -4.001201348e-01 -4.001201348e-01 4.32 -3.831712315e-01 -3.831712315e-01 4.34 -3.668926489e-01 -3.668926489e-01 4.36 -3.512538622e-01 -3.512538622e-01 4.38 -3.362212525e-01 -3.362212525e-01 4.40 -3.217584880e-01 -3.217584880e-01 4.42 -3.078269595e-01 -3.078269595e-01 4.44 -2.943863132e-01 -2.943863132e-01 4.46 -2.813951067e-01 -2.813951067e-01 4.48 -2.688115933e-01 -2.688115933e-01 4.50 -2.565946189e-01 -2.565946189e-01 4.52 -2.447046002e-01 -2.447046002e-01 4.54 -2.331045481e-01 -2.331045481e-01 4.56 -2.217610966e-01 -2.217610966e-01 4.58 -2.106454972e-01 -2.106454972e-01 4.60 -1.997345348e-01 -1.997345348e-01 4.62 -1.890113211e-01 -1.890113211e-01 4.64 -1.784659094e-01 -1.784659094e-01 4.66 -1.680956739e-01 -1.680956739e-01 4.68 -1.579053925e-01 -1.579053925e-01 4.70 -1.479069814e-01 -1.479069814e-01 4.72 -1.381188466e-01 -1.381188466e-01 4.74 -1.285648500e-01 -1.285648500e-01 4.76 -1.192729252e-01 -1.192729252e-01 4.78 -1.102734264e-01 -1.102734264e-01 4.80 -1.015973290e-01 -1.015973290e-01 4.82 -9.327443442e-02 -9.327443442e-02 4.84 -8.533171901e-02 -8.533171901e-02 4.86 -7.779197753e-02 -7.779197753e-02 4.88 -7.067284267e-02 -7.067284267e-02 4.90 -6.398623532e-02 -6.398623532e-02 4.92 -5.773822677e-02 -5.773822677e-02 4.94 -5.192925783e-02 -5.192925783e-02 4.96 -4.655462263e-02 -4.655462263e-02 4.98 -4.160512892e-02 -4.160512892e-02 5.00 -3.706782474e-02 -3.706782474e-02 5.02 -3.292672395e-02 -3.292672395e-02 5.04 -2.916321241e-02 -2.916321241e-02 5.06 -2.575706564e-02 -2.575706564e-02 5.08 -2.268729094e-02 -2.268729094e-02 5.10 -1.993185268e-02 -1.993185268e-02 5.12 -1.746826760e-02 -1.746826760e-02 5.14 -1.527409728e-02 -1.527409728e-02 5.16 -1.332709393e-02 -1.332709393e-02 5.18 -1.160549034e-02 -1.160549034e-02 5.20 -1.008824832e-02 -1.008824832e-02 5.22 -8.755265315e-03 -8.755265315e-03 5.24 -7.587538451e-03 -7.587538451e-03 5.26 -6.567285712e-03 -6.567285712e-03 5.28 -5.678025152e-03 -5.678025152e-03 5.30 -4.904614823e-03 -4.904614823e-03 5.32 -4.233257558e-03 -4.233257558e-03 5.34 -3.651475922e-03 -3.651475922e-03 5.36 -3.148063150e-03 -3.148063150e-03 5.38 -2.713016021e-03 -2.713016021e-03 5.40 -2.337455218e-03 -2.337455218e-03 5.42 -2.013538147e-03 -2.013538147e-03 5.44 -1.734368350e-03 -1.734368350e-03 5.46 -1.493904878e-03 -1.493904878e-03 5.48 -1.286874140e-03 -1.286874140e-03 5.50 -1.108686043e-03 -1.108686043e-03 5.52 -9.553556389e-04 -9.553556389e-04 5.54 -8.234309507e-04 -8.234309507e-04 5.56 -7.099273038e-04 -7.099273038e-04 5.58 -6.122681608e-04 -6.122681608e-04 5.60 -5.282322663e-04 -5.282322663e-04 5.62 -4.559067600e-04 -4.559067600e-04 5.64 -3.936458338e-04 -3.936458338e-04 5.66 -3.400344597e-04 -3.400344597e-04 5.68 -2.938567037e-04 -2.938567037e-04 5.70 -2.540681452e-04 -2.540681452e-04 5.72 -2.197719444e-04 -2.197719444e-04 5.74 -1.901981278e-04 -1.901981278e-04 5.76 -1.646856978e-04 -1.646856978e-04 5.78 -1.426672101e-04 -1.426672101e-04 5.80 -1.236554977e-04 -1.236554977e-04 5.82 -1.072322574e-04 -1.072322574e-04 5.84 -9.303824620e-05 -9.303824620e-05 5.86 -8.076486892e-05 -8.076486892e-05 5.88 -7.014696259e-05 -7.014696259e-05 5.90 -6.095661102e-05 -6.095661102e-05 5.92 -5.299784421e-05 -5.299784421e-05 5.94 -4.610209682e-05 -4.610209682e-05 5.96 -4.012431766e-05 -4.012431766e-05 5.98 -3.493963699e-05 -3.493963699e-05 6.00 -3.044051141e-05 -3.044051141e-05