# 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 = CuPb2Ti # 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 3.192653390e+02 3.192653390e+02 1.30 2.978775120e+02 2.978775120e+02 1.32 2.779981695e+02 2.779981695e+02 1.34 2.595124874e+02 2.595124874e+02 1.36 2.423115618e+02 2.423115618e+02 1.38 2.262927845e+02 2.262927845e+02 1.40 2.113619906e+02 2.113619906e+02 1.42 1.974349639e+02 1.974349639e+02 1.44 1.844369634e+02 1.844369634e+02 1.46 1.723008756e+02 1.723008756e+02 1.48 1.609653631e+02 1.609653631e+02 1.50 1.503737046e+02 1.503737046e+02 1.52 1.404731462e+02 1.404731462e+02 1.54 1.312145618e+02 1.312145618e+02 1.56 1.225522153e+02 1.225522153e+02 1.58 1.144436305e+02 1.144436305e+02 1.60 1.068495400e+02 1.068495400e+02 1.62 9.973398174e+01 9.973398174e+01 1.64 9.306430227e+01 9.306430227e+01 1.66 8.681097300e+01 8.681097300e+01 1.68 8.094720392e+01 8.094720392e+01 1.70 7.544847753e+01 7.544847753e+01 1.72 7.029221491e+01 7.029221491e+01 1.74 6.545933767e+01 6.545933767e+01 1.76 6.094067072e+01 6.094067072e+01 1.78 5.671722231e+01 5.671722231e+01 1.80 5.276911606e+01 5.276911606e+01 1.82 4.907749587e+01 4.907749587e+01 1.84 4.562466242e+01 4.562466242e+01 1.86 4.239419174e+01 4.239419174e+01 1.88 3.937098202e+01 3.937098202e+01 1.90 3.654119626e+01 3.654119626e+01 1.92 3.389212975e+01 3.389212975e+01 1.94 3.141208626e+01 3.141208626e+01 1.96 2.909022995e+01 2.909022995e+01 1.98 2.691646043e+01 2.691646043e+01 2.00 2.488130731e+01 2.488130731e+01 2.02 2.297586432e+01 2.297586432e+01 2.04 2.119175971e+01 2.119175971e+01 2.06 1.952115703e+01 1.952115703e+01 2.08 1.795677558e+01 1.795677558e+01 2.10 1.649189812e+01 1.649189812e+01 2.12 1.512036378e+01 1.512036378e+01 2.14 1.383651476e+01 1.383651476e+01 2.16 1.263512182e+01 1.263512182e+01 2.18 1.151130521e+01 1.151130521e+01 2.20 1.046046429e+01 1.046046429e+01 2.22 9.478235733e+00 9.478235733e+00 2.24 8.560476864e+00 8.560476864e+00 2.26 7.703270923e+00 7.703270923e+00 2.28 6.902942047e+00 6.902942047e+00 2.30 6.156055745e+00 6.156055745e+00 2.32 5.459394874e+00 5.459394874e+00 2.34 4.809929007e+00 4.809929007e+00 2.36 4.204764148e+00 4.204764148e+00 2.38 3.641115806e+00 3.641115806e+00 2.40 3.116302067e+00 3.116302067e+00 2.42 2.627755842e+00 2.627755842e+00 2.44 2.173045393e+00 2.173045393e+00 2.46 1.749895676e+00 1.749895676e+00 2.48 1.356201992e+00 1.356201992e+00 2.50 9.900336128e-01 9.900336128e-01 2.52 6.496276355e-01 6.496276355e-01 2.54 3.333757140e-01 3.333757140e-01 2.56 3.980686070e-02 3.980686070e-02 2.58 -2.324313327e-01 -2.324313327e-01 2.60 -4.846102527e-01 -4.846102527e-01 2.62 -7.179318604e-01 -7.179318604e-01 2.64 -9.334620345e-01 -9.334620345e-01 2.66 -1.132219595e+00 -1.132219595e+00 2.68 -1.315193818e+00 -1.315193818e+00 2.70 -1.483345496e+00 -1.483345496e+00 2.72 -1.637604137e+00 -1.637604137e+00 2.74 -1.778860936e+00 -1.778860936e+00 2.76 -1.907959756e+00 -1.907959756e+00 2.78 -2.025732067e+00 -2.025732067e+00 2.80 -2.132970963e+00 -2.132970963e+00 2.82 -2.230093639e+00 -2.230093639e+00 2.84 -2.317493545e+00 -2.317493545e+00 2.86 -2.395570160e+00 -2.395570160e+00 2.88 -2.464729068e+00 -2.464729068e+00 2.90 -2.525382263e+00 -2.525382263e+00 2.92 -2.577947728e+00 -2.577947728e+00 2.94 -2.622848027e+00 -2.622848027e+00 2.96 -2.660512324e+00 -2.660512324e+00 2.98 -2.691386590e+00 -2.691386590e+00 3.00 -2.715915534e+00 -2.715915534e+00 3.02 -2.734536499e+00 -2.734536499e+00 3.04 -2.747677474e+00 -2.747677474e+00 3.06 -2.755757165e+00 -2.755757165e+00 3.08 -2.759178121e+00 -2.759178121e+00 3.10 -2.758326225e+00 -2.758326225e+00 3.12 -2.753566370e+00 -2.753566370e+00 3.14 -2.745246238e+00 -2.745246238e+00 3.16 -2.733688009e+00 -2.733688009e+00 3.18 -2.719193929e+00 -2.719193929e+00 3.20 -2.702044204e+00 -2.702044204e+00 3.22 -2.682495695e+00 -2.682495695e+00 3.24 -2.660780257e+00 -2.660780257e+00 3.26 -2.637133304e+00 -2.637133304e+00 3.28 -2.611766906e+00 -2.611766906e+00 3.30 -2.584779132e+00 -2.584779132e+00 3.32 -2.556256865e+00 -2.556256865e+00 3.34 -2.526281182e+00 -2.526281182e+00 3.36 -2.494930049e+00 -2.494930049e+00 3.38 -2.462281101e+00 -2.462281101e+00 3.40 -2.428413741e+00 -2.428413741e+00 3.42 -2.393411896e+00 -2.393411896e+00 3.44 -2.357360358e+00 -2.357360358e+00 3.46 -2.320336183e+00 -2.320336183e+00 3.48 -2.282420160e+00 -2.282420160e+00 3.50 -2.243701389e+00 -2.243701389e+00 3.52 -2.204275531e+00 -2.204275531e+00 3.54 -2.164242650e+00 -2.164242650e+00 3.56 -2.123704518e+00 -2.123704518e+00 3.58 -2.082761603e+00 -2.082761603e+00 3.60 -2.041510145e+00 -2.041510145e+00 3.62 -2.000039871e+00 -2.000039871e+00 3.64 -1.958432798e+00 -1.958432798e+00 3.66 -1.916763363e+00 -1.916763363e+00 3.68 -1.875099740e+00 -1.875099740e+00 3.70 -1.833505935e+00 -1.833505935e+00 3.72 -1.792044097e+00 -1.792044097e+00 3.74 -1.750776491e+00 -1.750776491e+00 3.76 -1.709766751e+00 -1.709766751e+00 3.78 -1.669080214e+00 -1.669080214e+00 3.80 -1.628783351e+00 -1.628783351e+00 3.82 -1.588942434e+00 -1.588942434e+00 3.84 -1.549621680e+00 -1.549621680e+00 3.86 -1.510881144e+00 -1.510881144e+00 3.88 -1.472774623e+00 -1.472774623e+00 3.90 -1.435347841e+00 -1.435347841e+00 3.92 -1.398636413e+00 -1.398636413e+00 3.94 -1.362668000e+00 -1.362668000e+00 3.96 -1.327457681e+00 -1.327457681e+00 3.98 -1.293011660e+00 -1.293011660e+00 4.00 -1.259327411e+00 -1.259327411e+00 4.02 -1.226394965e+00 -1.226394965e+00 4.04 -1.194198326e+00 -1.194198326e+00 4.06 -1.162716859e+00 -1.162716859e+00 4.08 -1.131926547e+00 -1.131926547e+00 4.10 -1.101798920e+00 -1.101798920e+00 4.12 -1.072310932e+00 -1.072310932e+00 4.14 -1.043431542e+00 -1.043431542e+00 4.16 -1.015132253e+00 -1.015132253e+00 4.18 -9.873850325e-01 -9.873850325e-01 4.20 -9.601628409e-01 -9.601628409e-01 4.22 -9.334402018e-01 -9.334402018e-01 4.24 -9.071938192e-01 -9.071938192e-01 4.26 -8.814032596e-01 -8.814032596e-01 4.28 -8.560516772e-01 -8.560516772e-01 4.30 -8.311265434e-01 -8.311265434e-01 4.32 -8.066203147e-01 -8.066203147e-01 4.34 -7.825309566e-01 -7.825309566e-01 4.36 -7.588622301e-01 -7.588622301e-01 4.38 -7.356236528e-01 -7.356236528e-01 4.40 -7.128300639e-01 -7.128300639e-01 4.42 -6.905007680e-01 -6.905007680e-01 4.44 -6.686582784e-01 -6.686582784e-01 4.46 -6.473267463e-01 -6.473267463e-01 4.48 -6.265302105e-01 -6.265302105e-01 4.50 -6.062908381e-01 -6.062908381e-01 4.52 -5.866273337e-01 -5.866273337e-01 4.54 -5.675536685e-01 -5.675536685e-01 4.56 -5.490782339e-01 -5.490782339e-01 4.58 -5.312034609e-01 -5.312034609e-01 4.60 -5.139258838e-01 -5.139258838e-01 4.62 -4.972365780e-01 -4.972365780e-01 4.64 -4.811218701e-01 -4.811218701e-01 4.66 -4.655642095e-01 -4.655642095e-01 4.68 -4.505430992e-01 -4.505430992e-01 4.70 -4.360360037e-01 -4.360360037e-01 4.72 -4.220191753e-01 -4.220191753e-01 4.74 -4.084683685e-01 -4.084683685e-01 4.76 -3.953594296e-01 -3.953594296e-01 4.78 -3.826687671e-01 -3.826687671e-01 4.80 -3.703722034e-01 -3.703722034e-01 4.82 -3.584515363e-01 -3.584515363e-01 4.84 -3.468849209e-01 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