# 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 = AgPd2Ta # 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 3.550325763e+02 3.550325763e+02 1.30 3.295460124e+02 3.295460124e+02 1.32 3.059278862e+02 3.059278862e+02 1.34 2.840309676e+02 2.840309676e+02 1.36 2.637174013e+02 2.637174013e+02 1.38 2.448589519e+02 2.448589519e+02 1.40 2.273377611e+02 2.273377611e+02 1.42 2.110467519e+02 2.110467519e+02 1.44 1.958895837e+02 1.958895837e+02 1.46 1.817802018e+02 1.817802018e+02 1.48 1.686417140e+02 1.686417140e+02 1.50 1.564046238e+02 1.564046238e+02 1.52 1.450050186e+02 1.450050186e+02 1.54 1.343832770e+02 1.343832770e+02 1.56 1.244833669e+02 1.244833669e+02 1.58 1.152525457e+02 1.152525457e+02 1.60 1.066413544e+02 1.066413544e+02 1.62 9.860384004e+01 9.860384004e+01 1.64 9.109784298e+01 9.109784298e+01 1.66 8.408511190e+01 8.408511190e+01 1.68 7.753108293e+01 7.753108293e+01 1.70 7.140432139e+01 7.140432139e+01 1.72 6.567585489e+01 6.567585489e+01 1.74 6.032189556e+01 6.032189556e+01 1.76 5.531824383e+01 5.531824383e+01 1.78 5.064004185e+01 5.064004185e+01 1.80 4.627674144e+01 4.627674144e+01 1.82 4.222740744e+01 4.222740744e+01 1.84 3.847019518e+01 3.847019518e+01 1.86 3.498480858e+01 3.498480858e+01 1.88 3.175265846e+01 3.175265846e+01 1.90 2.875658690e+01 2.875658690e+01 1.92 2.598072719e+01 2.598072719e+01 1.94 2.341047098e+01 2.341047098e+01 1.96 2.103243150e+01 2.103243150e+01 1.98 1.883430464e+01 1.883430464e+01 2.00 1.680461913e+01 1.680461913e+01 2.02 1.493245459e+01 1.493245459e+01 2.04 1.320723167e+01 1.320723167e+01 2.06 1.161863603e+01 1.161863603e+01 2.08 1.015666847e+01 1.015666847e+01 2.10 8.811765222e+00 8.811765222e+00 2.12 7.574925537e+00 7.574925537e+00 2.14 6.437804518e+00 6.437804518e+00 2.16 5.392755952e+00 5.392755952e+00 2.18 4.432828066e+00 4.432828066e+00 2.20 3.551723636e+00 3.551723636e+00 2.22 2.743736819e+00 2.743736819e+00 2.24 2.003676899e+00 2.003676899e+00 2.26 1.326786779e+00 1.326786779e+00 2.28 7.086628843e-01 7.086628843e-01 2.30 1.451829420e-01 1.451829420e-01 2.32 -3.675522758e-01 -3.675522758e-01 2.34 -8.332584053e-01 -8.332584053e-01 2.36 -1.255486222e+00 -1.255486222e+00 2.38 -1.637575717e+00 -1.637575717e+00 2.40 -1.982636948e+00 -1.982636948e+00 2.42 -2.293889970e+00 -2.293889970e+00 2.44 -2.574334981e+00 -2.574334981e+00 2.46 -2.826721277e+00 -2.826721277e+00 2.48 -3.053558836e+00 -3.053558836e+00 2.50 -3.257119945e+00 -3.257119945e+00 2.52 -3.439226859e+00 -3.439226859e+00 2.54 -3.601354444e+00 -3.601354444e+00 2.56 -3.744908541e+00 -3.744908541e+00 2.58 -3.871206338e+00 -3.871206338e+00 2.60 -3.981461677e+00 -3.981461677e+00 2.62 -4.076786267e+00 -4.076786267e+00 2.64 -4.158199397e+00 -4.158199397e+00 2.66 -4.226639304e+00 -4.226639304e+00 2.68 -4.282972689e+00 -4.282972689e+00 2.70 -4.328001996e+00 -4.328001996e+00 2.72 -4.362471618e+00 -4.362471618e+00 2.74 -4.387074171e+00 -4.387074171e+00 2.76 -4.402457326e+00 -4.402457326e+00 2.78 -4.409231155e+00 -4.409231155e+00 2.80 -4.408301303e+00 -4.408301303e+00 2.82 -4.400554504e+00 -4.400554504e+00 2.84 -4.386246535e+00 -4.386246535e+00 2.86 -4.365669364e+00 -4.365669364e+00 2.88 -4.339156530e+00 -4.339156530e+00 2.90 -4.307078933e+00 -4.307078933e+00 2.92 -4.269837681e+00 -4.269837681e+00 2.94 -4.227853324e+00 -4.227853324e+00 2.96 -4.181553526e+00 -4.181553526e+00 2.98 -4.131477124e+00 -4.131477124e+00 3.00 -4.078108938e+00 -4.078108938e+00 3.02 -4.021760630e+00 -4.021760630e+00 3.04 -3.962705961e+00 -3.962705961e+00 3.06 -3.901181039e+00 -3.901181039e+00 3.08 -3.837387654e+00 -3.837387654e+00 3.10 -3.771498301e+00 -3.771498301e+00 3.12 -3.703663014e+00 -3.703663014e+00 3.14 -3.634025000e+00 -3.634025000e+00 3.16 -3.562720441e+00 -3.562720441e+00 3.18 -3.489878415e+00 -3.489878415e+00 3.20 -3.415628154e+00 -3.415628154e+00 3.22 -3.340106452e+00 -3.340106452e+00 3.24 -3.263464465e+00 -3.263464465e+00 3.26 -3.185873028e+00 -3.185873028e+00 3.28 -3.107525572e+00 -3.107525572e+00 3.30 -3.028637927e+00 -3.028637927e+00 3.32 -2.949444685e+00 -2.949444685e+00 3.34 -2.870192284e+00 -2.870192284e+00 3.36 -2.791129537e+00 -2.791129537e+00 3.38 -2.712496775e+00 -2.712496775e+00 3.40 -2.634514992e+00 -2.634514992e+00 3.42 -2.557376370e+00 -2.557376370e+00 3.44 -2.481237243e+00 -2.481237243e+00 3.46 -2.406214139e+00 -2.406214139e+00 3.48 -2.332382982e+00 -2.332382982e+00 3.50 -2.259781184e+00 -2.259781184e+00 3.52 -2.188412008e+00 -2.188412008e+00 3.54 -2.118250525e+00 -2.118250525e+00 3.56 -2.049250484e+00 -2.049250484e+00 3.58 -1.981351549e+00 -1.981351549e+00 3.60 -1.914486485e+00 -1.914486485e+00 3.62 -1.848588020e+00 -1.848588020e+00 3.64 -1.783595212e+00 -1.783595212e+00 3.66 -1.719459173e+00 -1.719459173e+00 3.68 -1.656148022e+00 -1.656148022e+00 3.70 -1.593650894e+00 -1.593650894e+00 3.72 -1.531980805e+00 -1.531980805e+00 3.74 -1.471176133e+00 -1.471176133e+00 3.76 -1.411300507e+00 -1.411300507e+00 3.78 -1.352440946e+00 -1.352440946e+00 3.80 -1.294704219e+00 -1.294704219e+00 3.82 -1.238211586e+00 -1.238211586e+00 3.84 -1.183092251e+00 -1.183092251e+00 3.86 -1.129476068e+00 -1.129476068e+00 3.88 -1.077486129e+00 -1.077486129e+00 3.90 -1.027231954e+00 -1.027231954e+00 3.92 -9.788038913e-01 -9.788038913e-01 3.94 -9.322692230e-01 -9.322692230e-01 3.96 -8.876702070e-01 -8.876702070e-01 3.98 -8.450240909e-01 -8.450240909e-01 4.00 -8.043248556e-01 -8.043248556e-01 4.02 -7.655462933e-01 -7.655462933e-01 4.04 -7.286459066e-01 -7.286459066e-01 4.06 -6.935690889e-01 -6.935690889e-01 4.08 -6.602530896e-01 -6.602530896e-01 4.10 -6.286303794e-01 -6.286303794e-01 4.12 -5.986311893e-01 -5.986311893e-01 4.14 -5.701851306e-01 -5.701851306e-01 4.16 -5.432220205e-01 -5.432220205e-01 4.18 -5.176720910e-01 -5.176720910e-01 4.20 -4.934658545e-01 -4.934658545e-01 4.22 -4.705338789e-01 -4.705338789e-01 4.24 -4.488066644e-01 -4.488066644e-01 4.26 -4.282147189e-01 -4.282147189e-01 4.28 -4.086888319e-01 -4.086888319e-01 4.30 -3.901604797e-01 -3.901604797e-01 4.32 -3.725622572e-01 -3.725622572e-01 4.34 -3.558282454e-01 -3.558282454e-01 4.36 -3.398942559e-01 -3.398942559e-01 4.38 -3.246979472e-01 -3.246979472e-01 4.40 -3.101788474e-01 -3.101788474e-01 4.42 -2.962783471e-01 -2.962783471e-01 4.44 -2.829397336e-01 -2.829397336e-01 4.46 -2.701083235e-01 -2.701083235e-01 4.48 -2.577317323e-01 -2.577317323e-01 4.50 -2.457602911e-01 -2.457602911e-01 4.52 -2.341475993e-01 -2.341475993e-01 4.54 -2.228511872e-01 -2.228511872e-01 4.56 -2.118332486e-01 -2.118332486e-01 4.58 -2.010613985e-01 -2.010613985e-01 4.60 -1.905094045e-01 -1.905094045e-01 4.62 -1.801578350e-01 -1.801578350e-01 4.64 -1.699945606e-01 -1.699945606e-01 4.66 -1.600150421e-01 -1.600150421e-01 4.68 -1.502223380e-01 -1.502223380e-01 4.70 -1.406267737e-01 -1.406267737e-01 4.72 -1.312452356e-01 -1.312452356e-01 4.74 -1.221000847e-01 -1.221000847e-01 4.76 -1.132177259e-01 -1.132177259e-01 4.78 -1.046269153e-01 -1.046269153e-01 4.80 -9.635692809e-02 -9.635692809e-02 4.82 -8.843573702e-02 -8.843573702e-02 4.84 -8.088835096e-02 -8.088835096e-02 4.86 -7.373546651e-02 -7.373546651e-02 4.88 -6.699251619e-02 -6.699251619e-02 4.90 -6.066915765e-02 -6.066915765e-02 4.92 -5.476920722e-02 -5.476920722e-02 4.94 -4.929094461e-02 -4.929094461e-02 4.96 -4.422770087e-02 -4.422770087e-02 4.98 -3.956860035e-02 -3.956860035e-02 5.00 -3.529937464e-02 -3.529937464e-02 5.02 -3.140316197e-02 -3.140316197e-02 5.04 -2.786092409e-02 -2.786092409e-02 5.06 -2.465252655e-02 -2.465252655e-02 5.08 -2.175755077e-02 -2.175755077e-02 5.10 -1.915497642e-02 -1.915497642e-02 5.12 -1.682380982e-02 -1.682380982e-02 5.14 -1.474319471e-02 -1.474319471e-02 5.16 -1.289263930e-02 -1.289263930e-02 5.18 -1.125221607e-02 -1.125221607e-02 5.20 -9.802729623e-03 -9.802729623e-03 5.22 -8.525857527e-03 -8.525857527e-03 5.24 -7.404265474e-03 -7.404265474e-03 5.26 -6.421696089e-03 -6.421696089e-03 5.28 -5.563030589e-03 -5.563030589e-03 5.30 -4.814323273e-03 -4.814323273e-03 5.32 -4.162810015e-03 -4.162810015e-03 5.34 -3.596893233e-03 -3.596893233e-03 5.36 -3.106106697e-03 -3.106106697e-03 5.38 -2.681064141e-03 -2.681064141e-03 5.40 -2.313395795e-03 -2.313395795e-03 5.42 -1.995676779e-03 -1.995676779e-03 5.44 -1.721350918e-03 -1.721350918e-03 5.46 -1.484652978e-03 -1.484652978e-03 5.48 -1.280531754e-03 -1.280531754e-03 5.50 -1.104575835e-03 -1.104575835e-03 5.52 -9.529433544e-04 -9.529433544e-04 5.54 -8.222965878e-04 -8.222965878e-04 5.56 -7.097418575e-04 -7.097418575e-04 5.58 -6.127749348e-04 -6.127749348e-04 5.60 -5.292318984e-04 -5.292318984e-04 5.62 -4.572452519e-04 -4.572452519e-04 5.64 -3.952050022e-04 -3.952050022e-04 5.66 -3.417243313e-04 -3.417243313e-04 5.68 -2.956094683e-04 -2.956094683e-04 5.70 -2.558333532e-04 -2.558333532e-04 5.72 -2.215126983e-04 -2.215126983e-04 5.74 -1.918880654e-04 -1.918880654e-04 5.76 -1.663066063e-04 -1.663066063e-04 5.78 -1.442071421e-04 -1.442071421e-04 5.80 -1.251072858e-04 -1.251072858e-04 5.82 -1.085923458e-04 -1.085923458e-04 5.84 -9.430577491e-05 -9.430577491e-05 5.86 -8.194095649e-05 -8.194095649e-05 5.88 -7.123414802e-05 -7.123414802e-05 5.90 -6.195842084e-05 -6.195842084e-05 5.92 -5.391845881e-05 -5.391845881e-05 5.94 -4.694609509e-05 -4.694609509e-05 5.96 -4.089648347e-05 -4.089648347e-05 5.98 -3.564481417e-05 -3.564481417e-05 6.00 -3.108349685e-05 -3.108349685e-05