# 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 = NiPb2Pt # 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 3.534460899e+02 3.534460899e+02 1.30 3.301108169e+02 3.301108169e+02 1.32 3.083501178e+02 3.083501178e+02 1.34 2.880524102e+02 2.880524102e+02 1.36 2.691136603e+02 2.691136603e+02 1.38 2.514333682e+02 2.514333682e+02 1.40 2.349148935e+02 2.349148935e+02 1.42 2.194682670e+02 2.194682670e+02 1.44 2.050125233e+02 2.050125233e+02 1.46 1.914759703e+02 1.914759703e+02 1.48 1.787948744e+02 1.787948744e+02 1.50 1.669116048e+02 1.669116048e+02 1.52 1.557725297e+02 1.557725297e+02 1.54 1.453261674e+02 1.453261674e+02 1.56 1.355225661e+02 1.355225661e+02 1.58 1.263140740e+02 1.263140740e+02 1.60 1.176566174e+02 1.176566174e+02 1.62 1.095105106e+02 1.095105106e+02 1.64 1.018404297e+02 1.018404297e+02 1.66 9.461485677e+01 9.461485677e+01 1.68 8.780566769e+01 8.780566769e+01 1.70 8.138814537e+01 8.138814537e+01 1.72 7.534521762e+01 7.534521762e+01 1.74 6.971728894e+01 6.971728894e+01 1.76 6.449895644e+01 6.449895644e+01 1.78 5.966197935e+01 5.966197935e+01 1.80 5.517808792e+01 5.517808792e+01 1.82 5.101951754e+01 5.101951754e+01 1.84 4.715980482e+01 4.715980482e+01 1.86 4.357437120e+01 4.357437120e+01 1.88 4.024084942e+01 4.024084942e+01 1.90 3.713918410e+01 3.713918410e+01 1.92 3.425157664e+01 3.425157664e+01 1.94 3.156228664e+01 3.156228664e+01 1.96 2.905731032e+01 2.905731032e+01 1.98 2.672399446e+01 2.672399446e+01 2.00 2.455070042e+01 2.455070042e+01 2.02 2.252659046e+01 2.252659046e+01 2.04 2.064152587e+01 2.064152587e+01 2.06 1.888603147e+01 1.888603147e+01 2.08 1.725128422e+01 1.725128422e+01 2.10 1.572909298e+01 1.572909298e+01 2.12 1.431187043e+01 1.431187043e+01 2.14 1.299259128e+01 1.299259128e+01 2.16 1.176474773e+01 1.176474773e+01 2.18 1.062230995e+01 1.062230995e+01 2.20 9.559686306e+00 9.559686306e+00 2.22 8.571690184e+00 8.571690184e+00 2.24 7.653506126e+00 7.653506126e+00 2.26 6.800658542e+00 6.800658542e+00 2.28 6.008985403e+00 6.008985403e+00 2.30 5.274607226e+00 5.274607226e+00 2.32 4.593892948e+00 4.593892948e+00 2.34 3.963425253e+00 3.963425253e+00 2.36 3.379953159e+00 3.379953159e+00 2.38 2.840355939e+00 2.840355939e+00 2.40 2.341622908e+00 2.341622908e+00 2.42 1.880857530e+00 1.880857530e+00 2.44 1.455302186e+00 1.455302186e+00 2.46 1.062375292e+00 1.062375292e+00 2.48 6.991507674e-01 6.991507674e-01 2.50 3.627001891e-01 3.627001891e-01 2.52 5.142532601e-02 5.142532601e-02 2.54 -2.361229673e-01 -2.361229673e-01 2.56 -5.012949836e-01 -5.012949836e-01 2.58 -7.453667719e-01 -7.453667719e-01 2.60 -9.695557540e-01 -9.695557540e-01 2.62 -1.175025973e+00 -1.175025973e+00 2.64 -1.362893693e+00 -1.362893693e+00 2.66 -1.534218574e+00 -1.534218574e+00 2.68 -1.690010798e+00 -1.690010798e+00 2.70 -1.831233209e+00 -1.831233209e+00 2.72 -1.958803087e+00 -1.958803087e+00 2.74 -2.073591922e+00 -2.073591922e+00 2.76 -2.176422556e+00 -2.176422556e+00 2.78 -2.268064495e+00 -2.268064495e+00 2.80 -2.349231161e+00 -2.349231161e+00 2.82 -2.420552988e+00 -2.420552988e+00 2.84 -2.482539490e+00 -2.482539490e+00 2.86 -2.535666278e+00 -2.535666278e+00 2.88 -2.580403283e+00 -2.580403283e+00 2.90 -2.617227277e+00 -2.617227277e+00 2.92 -2.646633587e+00 -2.646633587e+00 2.94 -2.669143713e+00 -2.669143713e+00 2.96 -2.685305809e+00 -2.685305809e+00 2.98 -2.695686365e+00 -2.695686365e+00 3.00 -2.700853755e+00 -2.700853755e+00 3.02 -2.701356999e+00 -2.701356999e+00 3.04 -2.697704423e+00 -2.697704423e+00 3.06 -2.690350649e+00 -2.690350649e+00 3.08 -2.679686794e+00 -2.679686794e+00 3.10 -2.666045840e+00 -2.666045840e+00 3.12 -2.649710390e+00 -2.649710390e+00 3.14 -2.630931508e+00 -2.630931508e+00 3.16 -2.609931805e+00 -2.609931805e+00 3.18 -2.586921241e+00 -2.586921241e+00 3.20 -2.562100089e+00 -2.562100089e+00 3.22 -2.535659544e+00 -2.535659544e+00 3.24 -2.507779526e+00 -2.507779526e+00 3.26 -2.478625444e+00 -2.478625444e+00 3.28 -2.448349492e+00 -2.448349492e+00 3.30 -2.417136862e+00 -2.417136862e+00 3.32 -2.385108304e+00 -2.385108304e+00 3.34 -2.352370381e+00 -2.352370381e+00 3.36 -2.319013731e+00 -2.319013731e+00 3.38 -2.285115816e+00 -2.285115816e+00 3.40 -2.250744154e+00 -2.250744154e+00 3.42 -2.215959807e+00 -2.215959807e+00 3.44 -2.180817478e+00 -2.180817478e+00 3.46 -2.145367547e+00 -2.145367547e+00 3.48 -2.109654091e+00 -2.109654091e+00 3.50 -2.073706564e+00 -2.073706564e+00 3.52 -2.037548726e+00 -2.037548726e+00 3.54 -2.001204261e+00 -2.001204261e+00 3.56 -1.964696775e+00 -1.964696775e+00 3.58 -1.928050150e+00 -1.928050150e+00 3.60 -1.891289062e+00 -1.891289062e+00 3.62 -1.854439600e+00 -1.854439600e+00 3.64 -1.817529920e+00 -1.817529920e+00 3.66 -1.780590839e+00 -1.780590839e+00 3.68 -1.743656289e+00 -1.743656289e+00 3.70 -1.706763533e+00 -1.706763533e+00 3.72 -1.669953081e+00 -1.669953081e+00 3.74 -1.633268256e+00 -1.633268256e+00 3.76 -1.596754417e+00 -1.596754417e+00 3.78 -1.560457888e+00 -1.560457888e+00 3.80 -1.524424689e+00 -1.524424689e+00 3.82 -1.488699160e+00 -1.488699160e+00 3.84 -1.453322578e+00 -1.453322578e+00 3.86 -1.418331851e+00 -1.418331851e+00 3.88 -1.383758350e+00 -1.383758350e+00 3.90 -1.349626955e+00 -1.349626955e+00 3.92 -1.315954784e+00 -1.315954784e+00 3.94 -1.282753587e+00 -1.282753587e+00 3.96 -1.250025855e+00 -1.250025855e+00 3.98 -1.217768502e+00 -1.217768502e+00 4.00 -1.185973372e+00 -1.185973372e+00 4.02 -1.154628938e+00 -1.154628938e+00 4.04 -1.123722261e+00 -1.123722261e+00 4.06 -1.093241057e+00 -1.093241057e+00 4.08 -1.063175678e+00 -1.063175678e+00 4.10 -1.033519197e+00 -1.033519197e+00 4.12 -1.004275432e+00 -1.004275432e+00 4.14 -9.754489528e-01 -9.754489528e-01 4.16 -9.470525232e-01 -9.470525232e-01 4.18 -9.191043048e-01 -9.191043048e-01 4.20 -8.916263482e-01 -8.916263482e-01 4.22 -8.646425317e-01 -8.646425317e-01 4.24 -8.381762041e-01 -8.381762041e-01 4.26 -8.122478531e-01 -8.122478531e-01 4.28 -7.868731297e-01 -7.868731297e-01 4.30 -7.620615060e-01 -7.620615060e-01 4.32 -7.378157308e-01 -7.378157308e-01 4.34 -7.141321065e-01 -7.141321065e-01 4.36 -6.910014696e-01 -6.910014696e-01 4.38 -6.684106481e-01 -6.684106481e-01 4.40 -6.463441080e-01 -6.463441080e-01 4.42 -6.247854973e-01 -6.247854973e-01 4.44 -6.037188458e-01 -6.037188458e-01 4.46 -5.831292582e-01 -5.831292582e-01 4.48 -5.630030489e-01 -5.630030489e-01 4.50 -5.433273722e-01 -5.433273722e-01 4.52 -5.240894926e-01 -5.240894926e-01 4.54 -5.052759020e-01 -5.052759020e-01 4.56 -4.868715088e-01 -4.868715088e-01 4.58 -4.688591052e-01 -4.688591052e-01 4.60 -4.512192581e-01 -4.512192581e-01 4.62 -4.339307006e-01 -4.339307006e-01 4.64 -4.169712125e-01 -4.169712125e-01 4.66 -4.003189171e-01 -4.003189171e-01 4.68 -3.839538608e-01 -3.839538608e-01 4.70 -3.678597171e-01 -3.678597171e-01 4.72 -3.520254389e-01 -3.520254389e-01 4.74 -3.364466854e-01 -3.364466854e-01 4.76 -3.211268664e-01 -3.211268664e-01 4.78 -3.060776687e-01 -3.060776687e-01 4.80 -2.913175039e-01 -2.913175039e-01 4.82 -2.768768622e-01 -2.768768622e-01 4.84 -2.627874126e-01 -2.627874126e-01 4.86 -2.490867053e-01 -2.490867053e-01 4.88 -2.358141110e-01 -2.358141110e-01 4.90 -2.230083098e-01 -2.230083098e-01 4.92 -2.107048245e-01 -2.107048245e-01 4.94 -1.989338272e-01 -1.989338272e-01 4.96 -1.877184117e-01 -1.877184117e-01 4.98 -1.770734600e-01 -1.770734600e-01 5.00 -1.670051578e-01 -1.670051578e-01 5.02 -1.575111334e-01 -1.575111334e-01 5.04 -1.485811368e-01 -1.485811368e-01 5.06 -1.401981270e-01 -1.401981270e-01 5.08 -1.323396217e-01 -1.323396217e-01 5.10 -1.249791617e-01 -1.249791617e-01 5.12 -1.180877650e-01 -1.180877650e-01 5.14 -1.116352664e-01 -1.116352664e-01 5.16 -1.055914702e-01 -1.055914702e-01 5.18 -9.992709101e-02 -9.992709101e-02 5.20 -9.461445050e-02 -9.461445050e-02 5.22 -8.962794062e-02 -8.962794062e-02 5.24 -8.494426312e-02 -8.494426312e-02 5.26 -8.054248359e-02 -8.054248359e-02 5.28 -7.640393504e-02 -7.640393504e-02 5.30 -7.251200656e-02 -7.251200656e-02 5.32 -6.885185699e-02 -6.885185699e-02 5.34 -6.540979137e-02 -6.540979137e-02 5.36 -6.217281257e-02 -6.217281257e-02 5.38 -5.912999653e-02 -5.912999653e-02 5.40 -5.627086554e-02 -5.627086554e-02 5.42 -5.358513151e-02 -5.358513151e-02 5.44 -5.106260617e-02 -5.106260617e-02 5.46 -4.869315925e-02 -4.869315925e-02 5.48 -4.646671919e-02 -4.646671919e-02 5.50 -4.437330754e-02 -4.437330754e-02 5.52 -4.240309609e-02 -4.240309609e-02 5.54 -4.054647603e-02 -4.054647603e-02 5.56 -3.879412996e-02 -3.879412996e-02 5.58 -3.713709922e-02 -3.713709922e-02 5.60 -3.556684193e-02 -3.556684193e-02 5.62 -3.407527872e-02 -3.407527872e-02 5.64 -3.265482564e-02 -3.265482564e-02 5.66 -3.129841467e-02 -3.129841467e-02 5.68 -2.999950343e-02 -2.999950343e-02 5.70 -2.875207637e-02 -2.875207637e-02 5.72 -2.755063965e-02 -2.755063965e-02 5.74 -2.639021206e-02 -2.639021206e-02 5.76 -2.526631391e-02 -2.526631391e-02 5.78 -2.417495562e-02 -2.417495562e-02 5.80 -2.311262729e-02 -2.311262729e-02 5.82 -2.207628964e-02 -2.207628964e-02 5.84 -2.106336700e-02 -2.106336700e-02 5.86 -2.007174166e-02 -2.007174166e-02 5.88 -1.909974913e-02 -1.909974913e-02 5.90 -1.814617298e-02 -1.814617298e-02 5.92 -1.721023788e-02 -1.721023788e-02 5.94 -1.629159890e-02 -1.629159890e-02 5.96 -1.539032487e-02 -1.539032487e-02 5.98 -1.450687779e-02 -1.450687779e-02 6.00 -1.364207987e-02 -1.364207987e-02