# 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 = Pb2TiZr # 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 4.578719714e+02 4.578719714e+02 1.30 4.285032345e+02 4.285032345e+02 1.32 4.011576419e+02 4.011576419e+02 1.34 3.756771646e+02 3.756771646e+02 1.36 3.519157850e+02 3.519157850e+02 1.38 3.297399895e+02 3.297399895e+02 1.40 3.090294087e+02 3.090294087e+02 1.42 2.896765547e+02 2.896765547e+02 1.44 2.715850283e+02 2.715850283e+02 1.46 2.546665158e+02 2.546665158e+02 1.48 2.388382439e+02 2.388382439e+02 1.50 2.240222917e+02 2.240222917e+02 1.52 2.101462707e+02 2.101462707e+02 1.54 1.971438875e+02 1.971438875e+02 1.56 1.849546948e+02 1.849546948e+02 1.58 1.735231431e+02 1.735231431e+02 1.60 1.627977073e+02 1.627977073e+02 1.62 1.527305127e+02 1.527305127e+02 1.64 1.432773855e+02 1.432773855e+02 1.66 1.343978818e+02 1.343978818e+02 1.68 1.260551103e+02 1.260551103e+02 1.70 1.182152783e+02 1.182152783e+02 1.72 1.108470430e+02 1.108470430e+02 1.74 1.039208512e+02 1.039208512e+02 1.76 9.740853026e+01 9.740853026e+01 1.78 9.128321904e+01 9.128321904e+01 1.80 8.551953978e+01 8.551953978e+01 1.82 8.009378591e+01 8.009378591e+01 1.84 7.498409469e+01 7.498409469e+01 1.86 7.017069457e+01 7.017069457e+01 1.88 6.563569728e+01 6.563569728e+01 1.90 6.136236609e+01 6.136236609e+01 1.92 5.733761130e+01 5.733761130e+01 1.94 5.355525545e+01 5.355525545e+01 1.96 5.000098261e+01 5.000098261e+01 1.98 4.666053480e+01 4.666053480e+01 2.00 4.352049494e+01 4.352049494e+01 2.02 4.056826803e+01 4.056826803e+01 2.04 3.779208146e+01 3.779208146e+01 2.06 3.518100111e+01 3.518100111e+01 2.08 3.272494622e+01 3.272494622e+01 2.10 3.041468977e+01 3.041468977e+01 2.12 2.824179354e+01 2.824179354e+01 2.14 2.619850180e+01 2.619850180e+01 2.16 2.427760073e+01 2.427760073e+01 2.18 2.247229023e+01 2.247229023e+01 2.20 2.077609891e+01 2.077609891e+01 2.22 1.918283715e+01 1.918283715e+01 2.24 1.768658610e+01 1.768658610e+01 2.26 1.628170990e+01 1.628170990e+01 2.28 1.496287208e+01 1.496287208e+01 2.30 1.372505501e+01 1.372505501e+01 2.32 1.256355074e+01 1.256355074e+01 2.34 1.147392376e+01 1.147392376e+01 2.36 1.045197410e+01 1.045197410e+01 2.38 9.493698061e+00 9.493698061e+00 2.40 8.595265877e+00 8.595265877e+00 2.42 7.753014108e+00 7.753014108e+00 2.44 6.963457222e+00 6.963457222e+00 2.46 6.223303669e+00 6.223303669e+00 2.48 5.529477220e+00 5.529477220e+00 2.50 4.879131465e+00 4.879131465e+00 2.52 4.269650642e+00 4.269650642e+00 2.54 3.698634873e+00 3.698634873e+00 2.56 3.163874492e+00 3.163874492e+00 2.58 2.663321431e+00 2.663321431e+00 2.60 2.195063997e+00 2.195063997e+00 2.62 1.757307534e+00 1.757307534e+00 2.64 1.348358548e+00 1.348358548e+00 2.66 9.665700613e-01 9.665700613e-01 2.68 6.104162637e-01 6.104162637e-01 2.70 2.785036961e-01 2.785036961e-01 2.72 -3.050934733e-02 -3.050934733e-02 2.74 -3.179131957e-01 -3.179131957e-01 2.76 -5.849450375e-01 -5.849450375e-01 2.78 -8.327844668e-01 -8.327844668e-01 2.80 -1.062556207e+00 -1.062556207e+00 2.82 -1.275312311e+00 -1.275312311e+00 2.84 -1.471977194e+00 -1.471977194e+00 2.86 -1.653378266e+00 -1.653378266e+00 2.88 -1.820253766e+00 -1.820253766e+00 2.90 -1.973324003e+00 -1.973324003e+00 2.92 -2.113291687e+00 -2.113291687e+00 2.94 -2.240839810e+00 -2.240839810e+00 2.96 -2.356629839e+00 -2.356629839e+00 2.98 -2.461300707e+00 -2.461300707e+00 3.00 -2.555468943e+00 -2.555468943e+00 3.02 -2.639721326e+00 -2.639721326e+00 3.04 -2.714562900e+00 -2.714562900e+00 3.06 -2.780472441e+00 -2.780472441e+00 3.08 -2.837921636e+00 -2.837921636e+00 3.10 -2.887383571e+00 -2.887383571e+00 3.12 -2.929327790e+00 -2.929327790e+00 3.14 -2.964226387e+00 -2.964226387e+00 3.16 -2.992541731e+00 -2.992541731e+00 3.18 -3.014731866e+00 -3.014731866e+00 3.20 -3.031244779e+00 -3.031244779e+00 3.22 -3.042513732e+00 -3.042513732e+00 3.24 -3.048952433e+00 -3.048952433e+00 3.26 -3.050951079e+00 -3.050951079e+00 3.28 -3.048873923e+00 -3.048873923e+00 3.30 -3.043058460e+00 -3.043058460e+00 3.32 -3.033815740e+00 -3.033815740e+00 3.34 -3.021431220e+00 -3.021431220e+00 3.36 -3.006165746e+00 -3.006165746e+00 3.38 -2.988256683e+00 -2.988256683e+00 3.40 -2.967918415e+00 -2.967918415e+00 3.42 -2.945348904e+00 -2.945348904e+00 3.44 -2.920725642e+00 -2.920725642e+00 3.46 -2.894213900e+00 -2.894213900e+00 3.48 -2.865968777e+00 -2.865968777e+00 3.50 -2.836138123e+00 -2.836138123e+00 3.52 -2.804864612e+00 -2.804864612e+00 3.54 -2.772286688e+00 -2.772286688e+00 3.56 -2.738538348e+00 -2.738538348e+00 3.58 -2.703757824e+00 -2.703757824e+00 3.60 -2.668115806e+00 -2.668115806e+00 3.62 -2.631689828e+00 -2.631689828e+00 3.64 -2.594540931e+00 -2.594540931e+00 3.66 -2.556728636e+00 -2.556728636e+00 3.68 -2.518310739e+00 -2.518310739e+00 3.70 -2.479344156e+00 -2.479344156e+00 3.72 -2.439886427e+00 -2.439886427e+00 3.74 -2.399997452e+00 -2.399997452e+00 3.76 -2.359741089e+00 -2.359741089e+00 3.78 -2.319184089e+00 -2.319184089e+00 3.80 -2.278388640e+00 -2.278388640e+00 3.82 -2.237421440e+00 -2.237421440e+00 3.84 -2.196357359e+00 -2.196357359e+00 3.86 -2.155277240e+00 -2.155277240e+00 3.88 -2.114265048e+00 -2.114265048e+00 3.90 -2.073404420e+00 -2.073404420e+00 3.92 -2.032773103e+00 -2.032773103e+00 3.94 -1.992447550e+00 -1.992447550e+00 3.96 -1.952487711e+00 -1.952487711e+00 3.98 -1.912944365e+00 -1.912944365e+00 4.00 -1.873856430e+00 -1.873856430e+00 4.02 -1.835251669e+00 -1.835251669e+00 4.04 -1.797148158e+00 -1.797148158e+00 4.06 -1.759556109e+00 -1.759556109e+00 4.08 -1.722479759e+00 -1.722479759e+00 4.10 -1.685913488e+00 -1.685913488e+00 4.12 -1.649866487e+00 -1.649866487e+00 4.14 -1.614327194e+00 -1.614327194e+00 4.16 -1.579289719e+00 -1.579289719e+00 4.18 -1.544747551e+00 -1.544747551e+00 4.20 -1.510693885e+00 -1.510693885e+00 4.22 -1.477121857e+00 -1.477121857e+00 4.24 -1.444024724e+00 -1.444024724e+00 4.26 -1.411396024e+00 -1.411396024e+00 4.28 -1.379229747e+00 -1.379229747e+00 4.30 -1.347520497e+00 -1.347520497e+00 4.32 -1.316263662e+00 -1.316263662e+00 4.34 -1.285455569e+00 -1.285455569e+00 4.36 -1.255093609e+00 -1.255093609e+00 4.38 -1.225176312e+00 -1.225176312e+00 4.40 -1.195703375e+00 -1.195703375e+00 4.42 -1.166675621e+00 -1.166675621e+00 4.44 -1.138094897e+00 -1.138094897e+00 4.46 -1.109963912e+00 -1.109963912e+00 4.48 -1.082286026e+00 -1.082286026e+00 4.50 -1.055065012e+00 -1.055065012e+00 4.52 -1.028304788e+00 -1.028304788e+00 4.54 -1.002009156e+00 -1.002009156e+00 4.56 -9.761815538e-01 -9.761815538e-01 4.58 -9.508248276e-01 -9.508248276e-01 4.60 -9.259410417e-01 -9.259410417e-01 4.62 -9.015313290e-01 -9.015313290e-01 4.64 -8.775957849e-01 -8.775957849e-01 4.66 -8.541334055e-01 -8.541334055e-01 4.68 -8.311420687e-01 -8.311420687e-01 4.70 -8.086185561e-01 -8.086185561e-01 4.72 -7.865586121e-01 -7.865586121e-01 4.74 -7.649570357e-01 -7.649570357e-01 4.76 -7.438078029e-01 -7.438078029e-01 4.78 -7.231042151e-01 -7.231042151e-01 4.80 -7.028347072e-01 -7.028347072e-01 4.82 -6.830012066e-01 -6.830012066e-01 4.84 -6.635908801e-01 -6.635908801e-01 4.86 -6.445962134e-01 -6.445962134e-01 4.88 -6.260099865e-01 -6.260099865e-01 4.90 -6.078254603e-01 -6.078254603e-01 4.92 -5.900365317e-01 -5.900365317e-01 4.94 -5.726378389e-01 -5.726378389e-01 4.96 -5.556248022e-01 -5.556248022e-01 4.98 -5.389935885e-01 -5.389935885e-01 5.00 -5.227409946e-01 -5.227409946e-01 5.02 -5.068642562e-01 -5.068642562e-01 5.04 -4.913607995e-01 -4.913607995e-01 5.06 -4.762279650e-01 -4.762279650e-01 5.08 -4.614627388e-01 -4.614627388e-01 5.10 -4.470615260e-01 -4.470615260e-01 5.12 -4.330199988e-01 -4.330199988e-01 5.14 -4.193330353e-01 -4.193330353e-01 5.16 -4.059947525e-01 -4.059947525e-01 5.18 -3.929986230e-01 -3.929986230e-01 5.20 -3.803376508e-01 -3.803376508e-01 5.22 -3.680045778e-01 -3.680045778e-01 5.24 -3.559920920e-01 -3.559920920e-01 5.26 -3.442930134e-01 -3.442930134e-01 5.28 -3.329004398e-01 -3.329004398e-01 5.30 -3.218078476e-01 -3.218078476e-01 5.32 -3.110091454e-01 -3.110091454e-01 5.34 -3.004986865e-01 -3.004986865e-01 5.36 -2.902712477e-01 -2.902712477e-01 5.38 -2.803219819e-01 -2.803219819e-01 5.40 -2.706463470e-01 -2.706463470e-01 5.42 -2.612400157e-01 -2.612400157e-01 5.44 -2.520987651e-01 -2.520987651e-01 5.46 -2.432183477e-01 -2.432183477e-01 5.48 -2.345943486e-01 -2.345943486e-01 5.50 -2.262220365e-01 -2.262220365e-01 5.52 -2.180962236e-01 -2.180962236e-01 5.54 -2.102111497e-01 -2.102111497e-01 5.56 -2.025604090e-01 -2.025604090e-01 5.58 -1.951369357e-01 -1.951369357e-01 5.60 -1.879330551e-01 -1.879330551e-01 5.62 -1.809406027e-01 -1.809406027e-01 5.64 -1.741511012e-01 -1.741511012e-01 5.66 -1.675559791e-01 -1.675559791e-01 5.68 -1.611468078e-01 -1.611468078e-01 5.70 -1.549155319e-01 -1.549155319e-01 5.72 -1.488546674e-01 -1.488546674e-01 5.74 -1.429574483e-01 -1.429574483e-01 5.76 -1.372179069e-01 -1.372179069e-01 5.78 -1.316308830e-01 -1.316308830e-01 5.80 -1.261919639e-01 -1.261919639e-01 5.82 -1.208973698e-01 -1.208973698e-01 5.84 -1.157437987e-01 -1.157437987e-01 5.86 -1.107282563e-01 -1.107282563e-01 5.88 -1.058478921e-01 -1.058478921e-01 5.90 -1.010998615e-01 -1.010998615e-01 5.92 -9.648123094e-02 -9.648123094e-02 5.94 -9.198893153e-02 -9.198893153e-02 5.96 -8.761976459e-02 -8.761976459e-02 5.98 -8.337045124e-02 -8.337045124e-02 6.00 -7.923771635e-02 -7.923771635e-02