# 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 = AgPd2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.522521624e+02 1.16 3.250783954e+02 1.18 3.000648394e+02 1.20 2.770156302e+02 1.22 2.557549956e+02 1.24 2.361272543e+02 1.26 2.179939290e+02 1.28 2.012304250e+02 1.30 1.857239424e+02 1.32 1.713724682e+02 1.34 1.580835987e+02 1.36 1.457728676e+02 1.38 1.343624441e+02 1.40 1.237805193e+02 1.42 1.139610556e+02 1.44 1.048438687e+02 1.46 9.637483908e+01 1.48 8.850552155e+01 1.50 8.119188352e+01 1.52 7.441752312e+01 1.54 6.817483320e+01 1.56 6.242177218e+01 1.58 5.711775983e+01 1.60 5.222577358e+01 1.62 4.771240903e+01 1.64 4.354774648e+01 1.66 3.970503882e+01 1.68 3.616018408e+01 1.70 3.289108246e+01 1.72 2.987708530e+01 1.74 2.709871309e+01 1.76 2.453765727e+01 1.78 2.217692352e+01 1.80 2.000094535e+01 1.82 1.799557180e+01 1.84 1.614792293e+01 1.86 1.444617212e+01 1.88 1.287934759e+01 1.90 1.143722637e+01 1.92 1.011032741e+01 1.94 8.889945127e+00 1.96 7.768149458e+00 1.98 6.737717943e+00 2.00 5.792017775e+00 2.02 4.924882544e+00 2.04 4.130520226e+00 2.06 3.403464581e+00 2.08 2.738562866e+00 2.10 2.130985423e+00 2.12 1.576242489e+00 2.14 1.070196067e+00 2.16 6.090599941e-01 2.18 1.893881498e-01 2.20 -1.919449463e-01 2.22 -5.377671406e-01 2.24 -8.506339997e-01 2.26 -1.132857402e+00 2.28 -1.386538542e+00 2.30 -1.613605527e+00 2.32 -1.815854093e+00 2.34 -1.994987863e+00 2.36 -2.152652591e+00 2.38 -2.290712359e+00 2.40 -2.411637154e+00 2.42 -2.516501259e+00 2.44 -2.606284659e+00 2.46 -2.682010995e+00 2.48 -2.744715384e+00 2.50 -2.795418067e+00 2.52 -2.835103572e+00 2.54 -2.864758461e+00 2.56 -2.885414971e+00 2.58 -2.898019973e+00 2.60 -2.903426725e+00 2.62 -2.902405158e+00 2.64 -2.895648210e+00 2.66 -2.883882962e+00 2.68 -2.867608628e+00 2.70 -2.847151337e+00 2.72 -2.822791321e+00 2.74 -2.794767467e+00 2.76 -2.763288345e+00 2.78 -2.728546744e+00 2.80 -2.690735282e+00 2.82 -2.650062381e+00 2.84 -2.606771823e+00 2.86 -2.561147869e+00 2.88 -2.513516075e+00 2.90 -2.464241245e+00 2.92 -2.413716702e+00 2.94 -2.362345575e+00 2.96 -2.310517371e+00 2.98 -2.258585010e+00 3.00 -2.206847605e+00 3.02 -2.155542284e+00 3.04 -2.104845238e+00 3.06 -2.054879445e+00 3.08 -2.005725301e+00 3.10 -1.957430950e+00 3.12 -1.910020483e+00 3.14 -1.863499810e+00 3.16 -1.817860835e+00 3.18 -1.773084844e+00 3.20 -1.729145674e+00 3.22 -1.686012866e+00 3.24 -1.643654669e+00 3.26 -1.602040715e+00 3.28 -1.561144152e+00 3.30 -1.520943153e+00 3.32 -1.481421781e+00 3.34 -1.442570252e+00 3.36 -1.404384659e+00 3.38 -1.366866291e+00 3.40 -1.330020625e+00 3.42 -1.293856146e+00 3.44 -1.258383093e+00 3.46 -1.223612245e+00 3.48 -1.189553817e+00 3.50 -1.156216519e+00 3.52 -1.123606798e+00 3.54 -1.091728257e+00 3.56 -1.060581242e+00 3.58 -1.030162576e+00 3.60 -1.000465414e+00 3.62 -9.714791979e-01 3.64 -9.431897131e-01 3.66 -9.155792289e-01 3.68 -8.886267287e-01 3.70 -8.623082314e-01 3.72 -8.365972045e-01 3.74 -8.114650665e-01 3.76 -7.868817686e-01 3.78 -7.628164400e-01 3.80 -7.392380760e-01 3.82 -7.161162426e-01 3.84 -6.934217794e-01 3.86 -6.711274828e-01 3.88 -6.492087683e-01 3.90 -6.276443165e-01 3.92 -6.064167181e-01 3.94 -5.855131333e-01 3.96 -5.649259644e-01 3.98 -5.446535286e-01 4.00 -5.247006746e-01 4.02 -5.050792546e-01 4.04 -4.858083301e-01 4.06 -4.669139700e-01 4.08 -4.484285140e-01 4.10 -4.303892175e-01 4.12 -4.128362870e-01 4.14 -3.958103899e-01 4.16 -3.793498857e-01 4.18 -3.634880492e-01 4.20 -3.482506154e-01 4.22 -3.336539332e-01 4.24 -3.197039150e-01 4.26 -3.063958475e-01 4.28 -2.937149975e-01 4.30 -2.816378440e-01 4.32 -2.701337192e-01 4.34 -2.591666263e-01 4.36 -2.486970393e-01 4.38 -2.386835415e-01 4.40 -2.290842174e-01 4.42 -2.198577692e-01 4.44 -2.109643682e-01 4.46 -2.023662792e-01 4.48 -1.940283078e-01 4.50 -1.859181253e-01 4.52 -1.780065180e-01 4.54 -1.702676020e-01 4.56 -1.626790281e-01 4.58 -1.552221907e-01 4.60 -1.478824389e-01 4.62 -1.406492729e-01 4.64 -1.335165006e-01 4.66 -1.264823145e-01 4.68 -1.195492514e-01 4.70 -1.127239948e-01 4.72 -1.060169934e-01 4.74 -9.944188631e-02 4.76 -9.301474927e-02 4.78 -8.675320345e-02 4.80 -8.067545006e-02 4.82 -7.479931380e-02 4.84 -6.914136866e-02 4.86 -6.371623563e-02 4.88 -5.853608314e-02 4.90 -5.361035571e-02 4.92 -4.894571378e-02 4.94 -4.454614797e-02 4.96 -4.041320420e-02 4.98 -3.654625701e-02 5.00 -3.294278746e-02 5.02 -2.959862352e-02 5.04 -2.650789484e-02 5.06 -2.366355154e-02 5.08 -2.105758794e-02 5.10 -1.868065836e-02 5.12 -1.652251783e-02 5.14 -1.457192388e-02 5.16 -1.281679948e-02 5.18 -1.124443492e-02 5.20 -9.841709243e-03 5.22 -8.595320668e-03 5.24 -7.492013103e-03 5.26 -6.518786339e-03 5.28 -5.663079879e-03 5.30 -4.912923736e-03 5.32 -4.257053137e-03 5.34 -3.684987219e-03 5.36 -3.187074294e-03 5.38 -2.754507864e-03 5.40 -2.379318455e-03 5.42 -2.054346547e-03 5.44 -1.773201637e-03 5.46 -1.530211941e-03 5.48 -1.320368547e-03 5.50 -1.139267115e-03 5.52 -9.830494839e-04 5.54 -8.483469527e-04 5.56 -7.322264359e-04 5.58 -6.321402648e-04 5.60 -5.458800648e-04 5.62 -4.715348739e-04 5.64 -4.074534797e-04 5.66 -3.522108233e-04 5.68 -3.045782302e-04 5.70 -2.634971821e-04 5.72 -2.280563171e-04 5.74 -1.974713414e-04 5.76 -1.710675418e-04 5.78 -1.482646071e-04 5.80 -1.285634823e-04 5.82 -1.115350080e-04 5.84 -9.681011651e-05 5.86 -8.407138481e-05 5.88 -7.304576306e-05 5.90 -6.349832135e-05 5.92 -5.522687572e-05 5.94 -4.805737223e-05 5.96 -4.183992386e-05 5.98 -3.644540872e-05 6.00 -3.176255075e-05