# 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 = CuPdZr2 # 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 3.128748580e+02 3.128748580e+02 1.30 2.908464777e+02 2.908464777e+02 1.32 2.704099678e+02 2.704099678e+02 1.34 2.514432493e+02 2.514432493e+02 1.36 2.338319108e+02 2.338319108e+02 1.38 2.174690764e+02 2.174690764e+02 1.40 2.022559405e+02 2.022559405e+02 1.42 1.881022583e+02 1.881022583e+02 1.44 1.749263875e+02 1.749263875e+02 1.46 1.626545534e+02 1.626545534e+02 1.48 1.512196496e+02 1.512196496e+02 1.50 1.405602030e+02 1.405602030e+02 1.52 1.306197302e+02 1.306197302e+02 1.54 1.213461183e+02 1.213461183e+02 1.56 1.126910701e+02 1.126910701e+02 1.58 1.046096960e+02 1.046096960e+02 1.60 9.706044488e+01 9.706044488e+01 1.62 9.000520942e+01 9.000520942e+01 1.64 8.340948546e+01 8.340948546e+01 1.66 7.724228880e+01 7.724228880e+01 1.68 7.147585750e+01 7.147585750e+01 1.70 6.608520108e+01 6.608520108e+01 1.72 6.104743110e+01 6.104743110e+01 1.74 5.634103074e+01 5.634103074e+01 1.76 5.194525741e+01 5.194525741e+01 1.78 4.783987508e+01 4.783987508e+01 1.80 4.400518552e+01 4.400518552e+01 1.82 4.042220996e+01 4.042220996e+01 1.84 3.707288863e+01 3.707288863e+01 1.86 3.394031734e+01 3.394031734e+01 1.88 3.100911900e+01 3.100911900e+01 1.90 2.826598333e+01 2.826598333e+01 1.92 2.569809317e+01 2.569809317e+01 1.94 2.329422011e+01 2.329422011e+01 1.96 2.105284978e+01 2.105284978e+01 1.98 1.896681371e+01 1.896681371e+01 2.00 1.702613059e+01 1.702613059e+01 2.02 1.522162225e+01 1.522162225e+01 2.04 1.354473053e+01 1.354473053e+01 2.06 1.198737954e+01 1.198737954e+01 2.08 1.054188137e+01 1.054188137e+01 2.10 9.200905202e+00 9.200905202e+00 2.12 7.957468036e+00 7.957468036e+00 2.14 6.804957589e+00 6.804957589e+00 2.16 5.737167607e+00 5.737167607e+00 2.18 4.748311283e+00 4.748311283e+00 2.20 3.833025574e+00 3.833025574e+00 2.22 2.986327331e+00 2.986327331e+00 2.24 2.203573354e+00 2.203573354e+00 2.26 1.480433725e+00 1.480433725e+00 2.28 8.128671729e-01 8.128671729e-01 2.30 1.971424587e-01 1.971424587e-01 2.32 -3.701991886e-01 -3.701991886e-01 2.34 -8.923447351e-01 -8.923447351e-01 2.36 -1.372254169e+00 -1.372254169e+00 2.38 -1.812691229e+00 -1.812691229e+00 2.40 -2.216256111e+00 -2.216256111e+00 2.42 -2.585423156e+00 -2.585423156e+00 2.44 -2.922559105e+00 -2.922559105e+00 2.46 -3.229945625e+00 -3.229945625e+00 2.48 -3.509777646e+00 -3.509777646e+00 2.50 -3.764147748e+00 -3.764147748e+00 2.52 -3.995020627e+00 -3.995020627e+00 2.54 -4.204206508e+00 -4.204206508e+00 2.56 -4.393342140e+00 -4.393342140e+00 2.58 -4.563885894e+00 -4.563885894e+00 2.60 -4.717129565e+00 -4.717129565e+00 2.62 -4.854221470e+00 -4.854221470e+00 2.64 -4.976212212e+00 -4.976212212e+00 2.66 -5.084078997e+00 -5.084078997e+00 2.68 -5.178857871e+00 -5.178857871e+00 2.70 -5.261356137e+00 -5.261356137e+00 2.72 -5.332323869e+00 -5.332323869e+00 2.74 -5.392507665e+00 -5.392507665e+00 2.76 -5.442635687e+00 -5.442635687e+00 2.78 -5.483399712e+00 -5.483399712e+00 2.80 -5.515455642e+00 -5.515455642e+00 2.82 -5.539400096e+00 -5.539400096e+00 2.84 -5.555721077e+00 -5.555721077e+00 2.86 -5.564666364e+00 -5.564666364e+00 2.88 -5.566469857e+00 -5.566469857e+00 2.90 -5.561406390e+00 -5.561406390e+00 2.92 -5.549788261e+00 -5.549788261e+00 2.94 -5.531959070e+00 -5.531959070e+00 2.96 -5.508284957e+00 -5.508284957e+00 2.98 -5.479144254e+00 -5.479144254e+00 3.00 -5.444917117e+00 -5.444917117e+00 3.02 -5.405976629e+00 -5.405976629e+00 3.04 -5.362678059e+00 -5.362678059e+00 3.06 -5.315373937e+00 -5.315373937e+00 3.08 -5.264448234e+00 -5.264448234e+00 3.10 -5.210450343e+00 -5.210450343e+00 3.12 -5.153734295e+00 -5.153734295e+00 3.14 -5.094397904e+00 -5.094397904e+00 3.16 -5.032511680e+00 -5.032511680e+00 3.18 -4.968174210e+00 -4.968174210e+00 3.20 -4.901502078e+00 -4.901502078e+00 3.22 -4.832625616e+00 -4.832625616e+00 3.24 -4.761686822e+00 -4.761686822e+00 3.26 -4.688839747e+00 -4.688839747e+00 3.28 -4.614259200e+00 -4.614259200e+00 3.30 -4.538160266e+00 -4.538160266e+00 3.32 -4.460784366e+00 -4.460784366e+00 3.34 -4.382375581e+00 -4.382375581e+00 3.36 -4.303168901e+00 -4.303168901e+00 3.38 -4.223382548e+00 -4.223382548e+00 3.40 -4.143210427e+00 -4.143210427e+00 3.42 -4.062826978e+00 -4.062826978e+00 3.44 -3.982376167e+00 -3.982376167e+00 3.46 -3.901982935e+00 -3.901982935e+00 3.48 -3.821754985e+00 -3.821754985e+00 3.50 -3.741786539e+00 -3.741786539e+00 3.52 -3.662161144e+00 -3.662161144e+00 3.54 -3.582953321e+00 -3.582953321e+00 3.56 -3.504229250e+00 -3.504229250e+00 3.58 -3.426046827e+00 -3.426046827e+00 3.60 -3.348455478e+00 -3.348455478e+00 3.62 -3.271496056e+00 -3.271496056e+00 3.64 -3.195201097e+00 -3.195201097e+00 3.66 -3.119595607e+00 -3.119595607e+00 3.68 -3.044698526e+00 -3.044698526e+00 3.70 -2.970524920e+00 -2.970524920e+00 3.72 -2.897088879e+00 -2.897088879e+00 3.74 -2.824406995e+00 -2.824406995e+00 3.76 -2.752502154e+00 -2.752502154e+00 3.78 -2.681407224e+00 -2.681407224e+00 3.80 -2.611168060e+00 -2.611168060e+00 3.82 -2.541845192e+00 -2.541845192e+00 3.84 -2.473513572e+00 -2.473513572e+00 3.86 -2.406259990e+00 -2.406259990e+00 3.88 -2.340178174e+00 -2.340178174e+00 3.90 -2.275362101e+00 -2.275362101e+00 3.92 -2.211895051e+00 -2.211895051e+00 3.94 -2.149857137e+00 -2.149857137e+00 3.96 -2.089297041e+00 -2.089297041e+00 3.98 -2.030245418e+00 -2.030245418e+00 4.00 -1.972710506e+00 -1.972710506e+00 4.02 -1.916680434e+00 -1.916680434e+00 4.04 -1.862127148e+00 -1.862127148e+00 4.06 -1.809011052e+00 -1.809011052e+00 4.08 -1.757285562e+00 -1.757285562e+00 4.10 -1.706893933e+00 -1.706893933e+00 4.12 -1.657801698e+00 -1.657801698e+00 4.14 -1.609951927e+00 -1.609951927e+00 4.16 -1.563298996e+00 -1.563298996e+00 4.18 -1.517800151e+00 -1.517800151e+00 4.20 -1.473415386e+00 -1.473415386e+00 4.22 -1.430107202e+00 -1.430107202e+00 4.24 -1.387840409e+00 -1.387840409e+00 4.26 -1.346582131e+00 -1.346582131e+00 4.28 -1.306302026e+00 -1.306302026e+00 4.30 -1.266972700e+00 -1.266972700e+00 4.32 -1.228570228e+00 -1.228570228e+00 4.34 -1.191074639e+00 -1.191074639e+00 4.36 -1.154470259e+00 -1.154470259e+00 4.38 -1.118745775e+00 -1.118745775e+00 4.40 -1.083893950e+00 -1.083893950e+00 4.42 -1.049910961e+00 -1.049910961e+00 4.44 -1.016795389e+00 -1.016795389e+00 4.46 -9.845469638e-01 -9.845469638e-01 4.48 -9.531651965e-01 -9.531651965e-01 4.50 -9.226480813e-01 -9.226480813e-01 4.52 -8.929910248e-01 -8.929910248e-01 4.54 -8.641861414e-01 -8.641861414e-01 4.56 -8.362219929e-01 -8.362219929e-01 4.58 -8.090837830e-01 -8.090837830e-01 4.60 -7.827539560e-01 -7.827539560e-01 4.62 -7.572130930e-01 -7.572130930e-01 4.64 -7.324409708e-01 -7.324409708e-01 4.66 -7.084176377e-01 -7.084176377e-01 4.68 -6.851243686e-01 -6.851243686e-01 4.70 -6.625443893e-01 -6.625443893e-01 4.72 -6.406632940e-01 -6.406632940e-01 4.74 -6.194691207e-01 -6.194691207e-01 4.76 -5.989520924e-01 -5.989520924e-01 4.78 -5.791040722e-01 -5.791040722e-01 4.80 -5.599116411e-01 -5.599116411e-01 4.82 -5.413809587e-01 -5.413809587e-01 4.84 -5.234965784e-01 -5.234965784e-01 4.86 -5.062488863e-01 -5.062488863e-01 4.88 -4.896260856e-01 -4.896260856e-01 4.90 -4.736138356e-01 -4.736138356e-01 4.92 -4.581951262e-01 -4.581951262e-01 4.94 -4.433503732e-01 -4.433503732e-01 4.96 -4.290576933e-01 -4.290576933e-01 4.98 -4.152933080e-01 -4.152933080e-01 5.00 -4.020320200e-01 -4.020320200e-01 5.02 -3.892477105e-01 -3.892477105e-01 5.04 -3.769138184e-01 -3.769138184e-01 5.06 -3.650037716e-01 -3.650037716e-01 5.08 -3.534913557e-01 -3.534913557e-01 5.10 -3.423510156e-01 -3.423510156e-01 5.12 -3.315580942e-01 -3.315580942e-01 5.14 -3.210890185e-01 -3.210890185e-01 5.16 -3.109214465e-01 -3.109214465e-01 5.18 -3.010343898e-01 -3.010343898e-01 5.20 -2.914083259e-01 -2.914083259e-01 5.22 -2.820253124e-01 -2.820253124e-01 5.24 -2.728691119e-01 -2.728691119e-01 5.26 -2.639253330e-01 -2.639253330e-01 5.28 -2.551815866e-01 -2.551815866e-01 5.30 -2.466276515e-01 -2.466276515e-01 5.32 -2.382556373e-01 -2.382556373e-01 5.34 -2.300601261e-01 -2.300601261e-01 5.36 -2.220382693e-01 -2.220382693e-01 5.38 -2.141898129e-01 -2.141898129e-01 5.40 -2.065170237e-01 -2.065170237e-01 5.42 -1.990244945e-01 -1.990244945e-01 5.44 -1.917188140e-01 -1.917188140e-01 5.46 -1.846081015e-01 -1.846081015e-01 5.48 -1.777014217e-01 -1.777014217e-01 5.50 -1.710081149e-01 -1.710081149e-01 5.52 -1.645370900e-01 -1.645370900e-01 5.54 -1.582961391e-01 -1.582961391e-01 5.56 -1.522913288e-01 -1.522913288e-01 5.58 -1.465265213e-01 -1.465265213e-01 5.60 -1.410028561e-01 -1.410028561e-01 5.62 -1.357188591e-01 -1.357188591e-01 5.64 -1.306708219e-01 -1.306708219e-01 5.66 -1.258525276e-01 -1.258525276e-01 5.68 -1.212555634e-01 -1.212555634e-01 5.70 -1.168697135e-01 -1.168697135e-01 5.72 -1.126833822e-01 -1.126833822e-01 5.74 -1.086840141e-01 -1.086840141e-01 5.76 -1.048584804e-01 -1.048584804e-01 5.78 -1.011934168e-01 -1.011934168e-01 5.80 -9.767550191e-02 -9.767550191e-02 5.82 -9.429167524e-02 -9.429167524e-02 5.84 -9.102929881e-02 -9.102929881e-02 5.86 -8.787626932e-02 -8.787626932e-02 5.88 -8.482109046e-02 -8.482109046e-02 5.90 -8.185291505e-02 -8.185291505e-02 5.92 -7.896156669e-02 -7.896156669e-02 5.94 -7.613754962e-02 -7.613754962e-02 5.96 -7.337205438e-02 -7.337205438e-02 5.98 -7.065696570e-02 -7.065696570e-02 6.00 -6.798487749e-02 -6.798487749e-02