# 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 = AgNi2Pd # 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 1.906967702e+02 1.906967702e+02 1.30 1.758546285e+02 1.758546285e+02 1.32 1.621447666e+02 1.621447666e+02 1.34 1.494768296e+02 1.494768296e+02 1.36 1.377682150e+02 1.377682150e+02 1.38 1.269421809e+02 1.269421809e+02 1.40 1.169272836e+02 1.169272836e+02 1.42 1.076579357e+02 1.076579357e+02 1.44 9.907499669e+01 9.907499669e+01 1.46 9.112557144e+01 9.112557144e+01 1.48 8.376207158e+01 8.376207158e+01 1.50 7.694110607e+01 7.694110607e+01 1.52 7.062255764e+01 7.062255764e+01 1.54 6.476886083e+01 6.476886083e+01 1.56 5.934448623e+01 5.934448623e+01 1.58 5.431574125e+01 5.431574125e+01 1.60 4.965096401e+01 4.965096401e+01 1.62 4.532205208e+01 4.532205208e+01 1.64 4.131785598e+01 4.131785598e+01 1.66 3.761896600e+01 3.761896600e+01 1.68 3.420252698e+01 3.420252698e+01 1.70 3.104772853e+01 3.104772853e+01 1.72 2.813523524e+01 2.813523524e+01 1.74 2.544687663e+01 2.544687663e+01 1.76 2.296562023e+01 2.296562023e+01 1.78 2.067570911e+01 2.067570911e+01 1.80 1.856276674e+01 1.856276674e+01 1.82 1.661374569e+01 1.661374569e+01 1.84 1.481674453e+01 1.481674453e+01 1.86 1.316079008e+01 1.316079008e+01 1.88 1.163565827e+01 1.163565827e+01 1.90 1.023176034e+01 1.023176034e+01 1.92 8.940090228e+00 8.940090228e+00 1.94 7.752212886e+00 7.752212886e+00 1.96 6.660269078e+00 6.660269078e+00 1.98 5.656977696e+00 5.656977696e+00 2.00 4.735626914e+00 4.735626914e+00 2.02 3.890052406e+00 3.890052406e+00 2.04 3.114603651e+00 3.114603651e+00 2.06 2.404101224e+00 2.404101224e+00 2.08 1.753790480e+00 1.753790480e+00 2.10 1.159298043e+00 1.159298043e+00 2.12 6.165947627e-01 6.165947627e-01 2.14 1.219639144e-01 1.219639144e-01 2.16 -3.280292856e-01 -3.280292856e-01 2.18 -7.365694362e-01 -7.365694362e-01 2.20 -1.106622956e+00 -1.106622956e+00 2.22 -1.440966611e+00 -1.440966611e+00 2.24 -1.742209099e+00 -1.742209099e+00 2.26 -2.012805760e+00 -2.012805760e+00 2.28 -2.255071266e+00 -2.255071266e+00 2.30 -2.471196315e+00 -2.471196315e+00 2.32 -2.663268683e+00 -2.663268683e+00 2.34 -2.833289755e+00 -2.833289755e+00 2.36 -2.983174357e+00 -2.983174357e+00 2.38 -3.114729942e+00 -3.114729942e+00 2.40 -3.229625573e+00 -3.229625573e+00 2.42 -3.329369453e+00 -3.329369453e+00 2.44 -3.415306214e+00 -3.415306214e+00 2.46 -3.488633398e+00 -3.488633398e+00 2.48 -3.550436337e+00 -3.550436337e+00 2.50 -3.601712417e+00 -3.601712417e+00 2.52 -3.643571619e+00 -3.643571619e+00 2.54 -3.677071414e+00 -3.677071414e+00 2.56 -3.702783801e+00 -3.702783801e+00 2.58 -3.721164294e+00 -3.721164294e+00 2.60 -3.732396049e+00 -3.732396049e+00 2.62 -3.736660797e+00 -3.736660797e+00 2.64 -3.734195354e+00 -3.734195354e+00 2.66 -3.725284234e+00 -3.725284234e+00 2.68 -3.710271296e+00 -3.710271296e+00 2.70 -3.689575557e+00 -3.689575557e+00 2.72 -3.663661134e+00 -3.663661134e+00 2.74 -3.633088232e+00 -3.633088232e+00 2.76 -3.598254447e+00 -3.598254447e+00 2.78 -3.559538474e+00 -3.559538474e+00 2.80 -3.517319912e+00 -3.517319912e+00 2.82 -3.471962072e+00 -3.471962072e+00 2.84 -3.423802113e+00 -3.423802113e+00 2.86 -3.373149592e+00 -3.373149592e+00 2.88 -3.320291625e+00 -3.320291625e+00 2.90 -3.265505323e+00 -3.265505323e+00 2.92 -3.209062070e+00 -3.209062070e+00 2.94 -3.151223808e+00 -3.151223808e+00 2.96 -3.092241558e+00 -3.092241558e+00 2.98 -3.032352001e+00 -3.032352001e+00 3.00 -2.971774049e+00 -2.971774049e+00 3.02 -2.910707014e+00 -2.910707014e+00 3.04 -2.849330865e+00 -2.849330865e+00 3.06 -2.787807960e+00 -2.787807960e+00 3.08 -2.726285154e+00 -2.726285154e+00 3.10 -2.664895379e+00 -2.664895379e+00 3.12 -2.603758349e+00 -2.603758349e+00 3.14 -2.542980633e+00 -2.542980633e+00 3.16 -2.482655611e+00 -2.482655611e+00 3.18 -2.422863782e+00 -2.422863782e+00 3.20 -2.363673629e+00 -2.363673629e+00 3.22 -2.305142968e+00 -2.305142968e+00 3.24 -2.247320580e+00 -2.247320580e+00 3.26 -2.190247865e+00 -2.190247865e+00 3.28 -2.133960310e+00 -2.133960310e+00 3.30 -2.078488670e+00 -2.078488670e+00 3.32 -2.023859812e+00 -2.023859812e+00 3.34 -1.970097200e+00 -1.970097200e+00 3.36 -1.917221088e+00 -1.917221088e+00 3.38 -1.865248443e+00 -1.865248443e+00 3.40 -1.814192691e+00 -1.814192691e+00 3.42 -1.764063375e+00 -1.764063375e+00 3.44 -1.714865807e+00 -1.714865807e+00 3.46 -1.666600817e+00 -1.666600817e+00 3.48 -1.619264659e+00 -1.619264659e+00 3.50 -1.572849131e+00 -1.572849131e+00 3.52 -1.527341895e+00 -1.527341895e+00 3.54 -1.482726985e+00 -1.482726985e+00 3.56 -1.438985443e+00 -1.438985443e+00 3.58 -1.396096007e+00 -1.396096007e+00 3.60 -1.354035813e+00 -1.354035813e+00 3.62 -1.312781048e+00 -1.312781048e+00 3.64 -1.272307584e+00 -1.272307584e+00 3.66 -1.232591604e+00 -1.232591604e+00 3.68 -1.193610309e+00 -1.193610309e+00 3.70 -1.155342754e+00 -1.155342754e+00 3.72 -1.117770881e+00 -1.117770881e+00 3.74 -1.080880748e+00 -1.080880748e+00 3.76 -1.044663868e+00 -1.044663868e+00 3.78 -1.009118509e+00 -1.009118509e+00 3.80 -9.742507278e-01 -9.742507278e-01 3.82 -9.400748268e-01 -9.400748268e-01 3.84 -9.066129947e-01 -9.066129947e-01 3.86 -8.738939364e-01 -8.738939364e-01 3.88 -8.419504933e-01 -8.419504933e-01 3.90 -8.108164597e-01 -8.108164597e-01 3.92 -7.805230104e-01 -7.805230104e-01 3.94 -7.510952795e-01 -7.510952795e-01 3.96 -7.225496270e-01 -7.225496270e-01 3.98 -6.948920052e-01 -6.948920052e-01 4.00 -6.681175914e-01 -6.681175914e-01 4.02 -6.422116048e-01 -6.422116048e-01 4.04 -6.171510119e-01 -6.171510119e-01 4.06 -5.929067064e-01 -5.929067064e-01 4.08 -5.694457447e-01 -5.694457447e-01 4.10 -5.467332888e-01 -5.467332888e-01 4.12 -5.247340580e-01 -5.247340580e-01 4.14 -5.034132009e-01 -5.034132009e-01 4.16 -4.827366843e-01 -4.827366843e-01 4.18 -4.626713345e-01 -4.626713345e-01 4.20 -4.431847396e-01 -4.431847396e-01 4.22 -4.242452047e-01 -4.242452047e-01 4.24 -4.058219082e-01 -4.058219082e-01 4.26 -3.878853348e-01 -3.878853348e-01 4.28 -3.704079893e-01 -3.704079893e-01 4.30 -3.533653308e-01 -3.533653308e-01 4.32 -3.367368195e-01 -3.367368195e-01 4.34 -3.205069489e-01 -3.205069489e-01 4.36 -3.046661257e-01 -3.046661257e-01 4.38 -2.892112679e-01 -2.892112679e-01 4.40 -2.741460030e-01 -2.741460030e-01 4.42 -2.594803785e-01 -2.594803785e-01 4.44 -2.452300290e-01 -2.452300290e-01 4.46 -2.314148080e-01 -2.314148080e-01 4.48 -2.180569578e-01 -2.180569578e-01 4.50 -2.051789734e-01 -2.051789734e-01 4.52 -1.928013793e-01 -1.928013793e-01 4.54 -1.809406765e-01 -1.809406765e-01 4.56 -1.696077085e-01 -1.696077085e-01 4.58 -1.588066377e-01 -1.588066377e-01 4.60 -1.485346353e-01 -1.485346353e-01 4.62 -1.387822667e-01 -1.387822667e-01 4.64 -1.295344720e-01 -1.295344720e-01 4.66 -1.207719594e-01 -1.207719594e-01 4.68 -1.124727866e-01 -1.124727866e-01 4.70 -1.046139046e-01 -1.046139046e-01 4.72 -9.717250295e-02 -9.717250295e-02 4.74 -9.012677915e-02 -9.012677915e-02 4.76 -8.345700508e-02 -8.345700508e-02 4.78 -7.714612183e-02 -7.714612183e-02 4.80 -7.117910585e-02 -7.117910585e-02 4.82 -6.554276233e-02 -6.554276233e-02 4.84 -6.022539650e-02 -6.022539650e-02 4.86 -5.521643256e-02 -5.521643256e-02 4.88 -5.050604938e-02 -5.050604938e-02 4.90 -4.608488883e-02 -4.608488883e-02 4.92 -4.194385539e-02 -4.194385539e-02 4.94 -3.807399946e-02 -3.807399946e-02 4.96 -3.446646003e-02 -3.446646003e-02 4.98 -3.111243475e-02 -3.111243475e-02 5.00 -2.800314920e-02 -2.800314920e-02 5.02 -2.512980690e-02 -2.512980690e-02 5.04 -2.248351169e-02 -2.248351169e-02 5.06 -2.005517375e-02 -2.005517375e-02 5.08 -1.783541153e-02 -1.783541153e-02 5.10 -1.581446838e-02 -1.581446838e-02 5.12 -1.398215795e-02 -1.398215795e-02 5.14 -1.232756843e-02 -1.232756843e-02 5.16 -1.083972171e-02 -1.083972171e-02 5.18 -9.507521854e-03 -9.507521854e-03 5.20 -8.319605021e-03 -8.319605021e-03 5.22 -7.264514878e-03 -7.264514878e-03 5.24 -6.330880264e-03 -6.330880264e-03 5.26 -5.507582731e-03 -5.507582731e-03 5.28 -4.783904296e-03 -4.783904296e-03 5.30 -4.149649000e-03 -4.149649000e-03 5.32 -3.595235177e-03 -3.595235177e-03 5.34 -3.111758201e-03 -3.111758201e-03 5.36 -2.691025691e-03 -2.691025691e-03 5.38 -2.325568563e-03 -2.325568563e-03 5.40 -2.008632128e-03 -2.008632128e-03 5.42 -1.734151599e-03 -1.734151599e-03 5.44 -1.496716210e-03 -1.496716210e-03 5.46 -1.291525696e-03 -1.291525696e-03 5.48 -1.114342305e-03 -1.114342305e-03 5.50 -9.614409156e-04 -9.614409156e-04 5.52 -8.295592203e-04 -8.295592203e-04 5.54 -7.158494386e-04 -7.158494386e-04 5.56 -6.178325449e-04 -6.178325449e-04 5.58 -5.333556483e-04 -5.333556483e-04 5.60 -4.605528696e-04 -4.605528696e-04 5.62 -3.978098416e-04 -3.978098416e-04 5.64 -3.437318055e-04 -3.437318055e-04 5.66 -2.971151651e-04 -2.971151651e-04 5.68 -2.569222941e-04 -2.569222941e-04 5.70 -2.222593457e-04 -2.222593457e-04 5.72 -1.923568004e-04 -1.923568004e-04 5.74 -1.665524805e-04 -1.665524805e-04 5.76 -1.442767672e-04 -1.442767672e-04 5.78 -1.250397710e-04 -1.250397710e-04 5.80 -1.084202234e-04 -1.084202234e-04 5.82 -9.405587732e-05 -9.405587732e-05 5.84 -8.163522511e-05 -8.163522511e-05 5.86 -7.089036286e-05 -7.089036286e-05 5.88 -6.159084858e-05 -6.159084858e-05 5.90 -5.353842109e-05 -5.353842109e-05 5.92 -4.656246165e-05 -4.656246165e-05 5.94 -4.051609623e-05 -4.051609623e-05 5.96 -3.527284913e-05 -3.527284913e-05 5.98 -3.072377092e-05 -3.072377092e-05 6.00 -2.677497369e-05 -2.677497369e-05