# 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 = AgCu2Pd # 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 1.764475562e+02 1.764475562e+02 1.30 1.627880854e+02 1.627880854e+02 1.32 1.501663949e+02 1.501663949e+02 1.34 1.385022722e+02 1.385022722e+02 1.36 1.277203437e+02 1.277203437e+02 1.38 1.177487322e+02 1.177487322e+02 1.40 1.085197593e+02 1.085197593e+02 1.42 9.997153857e+01 9.997153857e+01 1.44 9.204904052e+01 9.204904052e+01 1.46 8.470391766e+01 8.470391766e+01 1.48 7.789328899e+01 7.789328899e+01 1.50 7.157822304e+01 7.157822304e+01 1.52 6.572250048e+01 6.572250048e+01 1.54 6.029182240e+01 6.029182240e+01 1.56 5.525345976e+01 5.525345976e+01 1.58 5.057991104e+01 5.057991104e+01 1.60 4.625797940e+01 4.625797940e+01 1.62 4.226156354e+01 4.226156354e+01 1.64 3.856549374e+01 3.856549374e+01 1.66 3.514774845e+01 3.514774845e+01 1.68 3.198867530e+01 3.198867530e+01 1.70 2.907022192e+01 2.907022192e+01 1.72 2.637538594e+01 2.637538594e+01 1.74 2.388797288e+01 2.388797288e+01 1.76 2.159260524e+01 2.159260524e+01 1.78 1.947483013e+01 1.947483013e+01 1.80 1.752118534e+01 1.752118534e+01 1.82 1.571918477e+01 1.571918477e+01 1.84 1.405725661e+01 1.405725661e+01 1.86 1.252467274e+01 1.252467274e+01 1.88 1.111149195e+01 1.111149195e+01 1.90 9.808528192e+00 9.808528192e+00 1.92 8.607342033e+00 8.607342033e+00 1.94 7.500239223e+00 7.500239223e+00 1.96 6.480252496e+00 6.480252496e+00 1.98 5.541089850e+00 5.541089850e+00 2.00 4.677051897e+00 4.677051897e+00 2.02 3.882936243e+00 3.882936243e+00 2.04 3.153946885e+00 3.153946885e+00 2.06 2.485617998e+00 2.485617998e+00 2.08 1.873756004e+00 1.873756004e+00 2.10 1.314402156e+00 1.314402156e+00 2.12 8.038144397e-01 8.038144397e-01 2.14 3.384623074e-01 3.384623074e-01 2.16 -8.497457027e-02 -8.497457027e-02 2.18 -4.696094710e-01 -4.696094710e-01 2.20 -8.183546778e-01 -8.183546778e-01 2.22 -1.133928796e+00 -1.133928796e+00 2.24 -1.418865159e+00 -1.418865159e+00 2.26 -1.675524421e+00 -1.675524421e+00 2.28 -1.906114636e+00 -1.906114636e+00 2.30 -2.112716509e+00 -2.112716509e+00 2.32 -2.297303792e+00 -2.297303792e+00 2.34 -2.461747195e+00 -2.461747195e+00 2.36 -2.607798998e+00 -2.607798998e+00 2.38 -2.737068596e+00 -2.737068596e+00 2.40 -2.851005692e+00 -2.851005692e+00 2.42 -2.950902679e+00 -2.950902679e+00 2.44 -3.037916096e+00 -3.037916096e+00 2.46 -3.113097902e+00 -3.113097902e+00 2.48 -3.177698413e+00 -3.177698413e+00 2.50 -3.232709447e+00 -3.232709447e+00 2.52 -3.278791698e+00 -3.278791698e+00 2.54 -3.316708750e+00 -3.316708750e+00 2.56 -3.347464317e+00 -3.347464317e+00 2.58 -3.371188566e+00 -3.371188566e+00 2.60 -3.387970037e+00 -3.387970037e+00 2.62 -3.397967436e+00 -3.397967436e+00 2.64 -3.401422406e+00 -3.401422406e+00 2.66 -3.398665190e+00 -3.398665190e+00 2.68 -3.390084872e+00 -3.390084872e+00 2.70 -3.376190789e+00 -3.376190789e+00 2.72 -3.357402285e+00 -3.357402285e+00 2.74 -3.334129806e+00 -3.334129806e+00 2.76 -3.306777129e+00 -3.306777129e+00 2.78 -3.275723753e+00 -3.275723753e+00 2.80 -3.241312953e+00 -3.241312953e+00 2.82 -3.203848379e+00 -3.203848379e+00 2.84 -3.163599478e+00 -3.163599478e+00 2.86 -3.120816358e+00 -3.120816358e+00 2.88 -3.075745074e+00 -3.075745074e+00 2.90 -3.028632203e+00 -3.028632203e+00 2.92 -2.979730530e+00 -2.979730530e+00 2.94 -2.929299492e+00 -2.929299492e+00 2.96 -2.877600748e+00 -2.877600748e+00 2.98 -2.824891128e+00 -2.824891128e+00 3.00 -2.771415537e+00 -2.771415537e+00 3.02 -2.717401601e+00 -2.717401601e+00 3.04 -2.663056640e+00 -2.663056640e+00 3.06 -2.608566424e+00 -2.608566424e+00 3.08 -2.554094698e+00 -2.554094698e+00 3.10 -2.499782690e+00 -2.499782690e+00 3.12 -2.445748369e+00 -2.445748369e+00 3.14 -2.392085792e+00 -2.392085792e+00 3.16 -2.338865115e+00 -2.338865115e+00 3.18 -2.286133714e+00 -2.286133714e+00 3.20 -2.233918559e+00 -2.233918559e+00 3.22 -2.182229665e+00 -2.182229665e+00 3.24 -2.131064262e+00 -2.131064262e+00 3.26 -2.080411271e+00 -2.080411271e+00 3.28 -2.030255712e+00 -2.030255712e+00 3.30 -1.980582730e+00 -1.980582730e+00 3.32 -1.931380983e+00 -1.931380983e+00 3.34 -1.882645202e+00 -1.882645202e+00 3.36 -1.834377795e+00 -1.834377795e+00 3.38 -1.786589437e+00 -1.786589437e+00 3.40 -1.739298708e+00 -1.739298708e+00 3.42 -1.692530912e+00 -1.692530912e+00 3.44 -1.646316289e+00 -1.646316289e+00 3.46 -1.600687878e+00 -1.600687878e+00 3.48 -1.555679283e+00 -1.555679283e+00 3.50 -1.511322562e+00 -1.511322562e+00 3.52 -1.467646415e+00 -1.467646415e+00 3.54 -1.424674778e+00 -1.424674778e+00 3.56 -1.382425892e+00 -1.382425892e+00 3.58 -1.340911864e+00 -1.340911864e+00 3.60 -1.300138711e+00 -1.300138711e+00 3.62 -1.260106864e+00 -1.260106864e+00 3.64 -1.220812103e+00 -1.220812103e+00 3.66 -1.182246875e+00 -1.182246875e+00 3.68 -1.144401935e+00 -1.144401935e+00 3.70 -1.107268214e+00 -1.107268214e+00 3.72 -1.070838784e+00 -1.070838784e+00 3.74 -1.035110732e+00 -1.035110732e+00 3.76 -1.000086706e+00 -1.000086706e+00 3.78 -9.657758857e-01 -9.657758857e-01 3.80 -9.321941208e-01 -9.321941208e-01 3.82 -8.993630988e-01 -8.993630988e-01 3.84 -8.673085042e-01 -8.673085042e-01 3.86 -8.360573418e-01 -8.360573418e-01 3.88 -8.056347664e-01 -8.056347664e-01 3.90 -7.760608903e-01 -7.760608903e-01 3.92 -7.473480657e-01 -7.473480657e-01 3.94 -7.194990592e-01 -7.194990592e-01 3.96 -6.925063430e-01 -6.925063430e-01 3.98 -6.663525309e-01 -6.663525309e-01 4.00 -6.410117678e-01 -6.410117678e-01 4.02 -6.164517600e-01 -6.164517600e-01 4.04 -5.926360745e-01 -5.926360745e-01 4.06 -5.695263635e-01 -5.695263635e-01 4.08 -5.470842448e-01 -5.470842448e-01 4.10 -5.252726776e-01 -5.252726776e-01 4.12 -5.040567957e-01 -5.040567957e-01 4.14 -4.834042359e-01 -4.834042359e-01 4.16 -4.632851259e-01 -4.632851259e-01 4.18 -4.436718984e-01 -4.436718984e-01 4.20 -4.245391313e-01 -4.245391313e-01 4.22 -4.058635769e-01 -4.058635769e-01 4.24 -3.876244767e-01 -3.876244767e-01 4.26 -3.698041820e-01 -3.698041820e-01 4.28 -3.523890130e-01 -3.523890130e-01 4.30 -3.353702222e-01 -3.353702222e-01 4.32 -3.187448872e-01 -3.187448872e-01 4.34 -3.025165424e-01 -3.025165424e-01 4.36 -2.866953807e-01 -2.866953807e-01 4.38 -2.712978989e-01 -2.712978989e-01 4.40 -2.563459312e-01 -2.563459312e-01 4.42 -2.418650917e-01 -2.418650917e-01 4.44 -2.278827356e-01 -2.278827356e-01 4.46 -2.144256258e-01 -2.144256258e-01 4.48 -2.015175487e-01 -2.015175487e-01 4.50 -1.891771438e-01 -1.891771438e-01 4.52 -1.774161942e-01 -1.774161942e-01 4.54 -1.662385610e-01 -1.662385610e-01 4.56 -1.556398575e-01 -1.556398575e-01 4.58 -1.456078542e-01 -1.456078542e-01 4.60 -1.361235137e-01 -1.361235137e-01 4.62 -1.271624821e-01 -1.271624821e-01 4.64 -1.186968490e-01 -1.186968490e-01 4.66 -1.106969512e-01 -1.106969512e-01 4.68 -1.031330372e-01 -1.031330372e-01 4.70 -9.597665013e-02 -9.597665013e-02 4.72 -8.920149137e-02 -8.920149137e-02 4.74 -8.278415817e-02 -8.278415817e-02 4.76 -7.670499613e-02 -7.670499613e-02 4.78 -7.094738720e-02 -7.094738720e-02 4.80 -6.549738528e-02 -6.549738528e-02 4.82 -6.034328599e-02 -6.034328599e-02 4.84 -5.547509985e-02 -5.547509985e-02 4.86 -5.088403605e-02 -5.088403605e-02 4.88 -4.656205068e-02 -4.656205068e-02 4.90 -4.250150153e-02 -4.250150153e-02 4.92 -3.869491684e-02 -3.869491684e-02 4.94 -3.513486320e-02 -3.513486320e-02 4.96 -3.181388293e-02 -3.181388293e-02 4.98 -2.872446675e-02 -2.872446675e-02 5.00 -2.585903161e-02 -2.585903161e-02 5.02 -2.320988392e-02 -2.320988392e-02 5.04 -2.076915919e-02 -2.076915919e-02 5.06 -1.852874632e-02 -1.852874632e-02 5.08 -1.648020773e-02 -1.648020773e-02 5.10 -1.461471227e-02 -1.461471227e-02 5.12 -1.292299389e-02 -1.292299389e-02 5.14 -1.139511755e-02 -1.139511755e-02 5.16 -1.002102695e-02 -1.002102695e-02 5.18 -8.790517559e-03 -8.790517559e-03 5.20 -7.693131965e-03 -7.693131965e-03 5.22 -6.718322237e-03 -6.718322237e-03 5.24 -5.855614269e-03 -5.855614269e-03 5.26 -5.094762857e-03 -5.094762857e-03 5.28 -4.425888531e-03 -4.425888531e-03 5.30 -3.839590236e-03 -3.839590236e-03 5.32 -3.327030988e-03 -3.327030988e-03 5.34 -2.879996260e-03 -2.879996260e-03 5.36 -2.490926922e-03 -2.490926922e-03 5.38 -2.152929847e-03 -2.152929847e-03 5.40 -1.859770049e-03 -1.859770049e-03 5.42 -1.605848386e-03 -1.605848386e-03 5.44 -1.386168694e-03 -1.386168694e-03 5.46 -1.196297839e-03 -1.196297839e-03 5.48 -1.032321589e-03 -1.032321589e-03 5.50 -8.907987065e-04 -8.907987065e-04 5.52 -7.687150763e-04 -7.687150763e-04 5.54 -6.634392118e-04 -6.634392118e-04 5.56 -5.726800653e-04 -5.726800653e-04 5.58 -4.944477303e-04 -4.944477303e-04 5.60 -4.270173575e-04 -4.270173575e-04 5.62 -3.688964053e-04 -3.688964053e-04 5.64 -3.187952012e-04 -3.187952012e-04 5.66 -2.756006888e-04 -2.756006888e-04 5.68 -2.383531726e-04 -2.383531726e-04 5.70 -2.062258315e-04 -2.062258315e-04 5.72 -1.785067570e-04 -1.785067570e-04 5.74 -1.545832666e-04 -1.545832666e-04 5.76 -1.339282498e-04 -1.339282498e-04 5.78 -1.160883163e-04 -1.160883163e-04 5.80 -1.006735330e-04 -1.006735330e-04 5.82 -8.734855411e-05 -8.734855411e-05 5.84 -7.582496707e-05 -7.582496707e-05 5.86 -6.585469726e-05 -6.585469726e-05 5.88 -5.722433083e-05 -5.722433083e-05 5.90 -4.975023215e-05 -4.975023215e-05 5.92 -4.327434769e-05 -4.327434769e-05 5.94 -3.766060157e-05 -3.766060157e-05 5.96 -3.279180070e-05 -3.279180070e-05 5.98 -2.856697822e-05 -2.856697822e-05 6.00 -2.489911341e-05 -2.489911341e-05