# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPd2 # 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 2022-05-24 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 9.729094857e+02 0.86 8.767545898e+02 0.88 7.909231439e+02 0.90 7.142305060e+02 0.92 6.456421018e+02 0.94 5.842431058e+02 0.96 5.292351697e+02 0.98 4.799084962e+02 1.00 4.356352294e+02 1.02 3.958617874e+02 1.04 3.600984815e+02 1.06 3.279103171e+02 1.08 2.989074071e+02 1.10 2.727502407e+02 1.12 2.491309394e+02 1.14 2.277770897e+02 1.16 2.084519323e+02 1.18 1.909413302e+02 1.20 1.750534053e+02 1.22 1.606165574e+02 1.24 1.474841017e+02 1.26 1.355220042e+02 1.28 1.246111502e+02 1.30 1.146434992e+02 1.32 1.055257864e+02 1.34 9.717401085e+01 1.36 8.951476607e+01 1.38 8.248128255e+01 1.40 7.601388511e+01 1.42 7.005854772e+01 1.44 6.456898178e+01 1.46 5.950267186e+01 1.48 5.482122120e+01 1.50 5.049088113e+01 1.52 4.648161453e+01 1.54 4.276595833e+01 1.56 3.931837656e+01 1.58 3.611668599e+01 1.60 3.314220458e+01 1.62 3.037690349e+01 1.64 2.780132670e+01 1.66 2.540856106e+01 1.68 2.318493303e+01 1.70 2.111848775e+01 1.72 1.919748013e+01 1.74 1.738096374e+01 1.76 1.569220624e+01 1.78 1.410226957e+01 1.80 1.260838403e+01 1.82 1.120750894e+01 1.84 9.896124251e+00 1.86 8.670665195e+00 1.88 7.527443291e+00 1.90 6.462706443e+00 1.92 5.473000391e+00 1.94 4.554753515e+00 1.96 3.705027294e+00 1.98 2.920248728e+00 2.00 2.196500518e+00 2.02 1.530536758e+00 2.04 9.191950006e-01 2.06 3.591764563e-01 2.08 -1.527011379e-01 2.10 -6.190819501e-01 2.12 -1.042883539e+00 2.14 -1.426498711e+00 2.16 -1.772318445e+00 2.18 -2.081885393e+00 2.20 -2.358145540e+00 2.22 -2.603660645e+00 2.24 -2.820561955e+00 2.26 -3.010877181e+00 2.28 -3.176532478e+00 2.30 -3.319428965e+00 2.32 -3.441442007e+00 2.34 -3.543984337e+00 2.36 -3.628598449e+00 2.38 -3.696738297e+00 2.40 -3.749772200e+00 2.42 -3.788775575e+00 2.44 -3.814619689e+00 2.46 -3.829006185e+00 2.48 -3.832990188e+00 2.50 -3.827555435e+00 2.52 -3.814363087e+00 2.54 -3.793868687e+00 2.56 -3.766497815e+00 2.58 -3.732416149e+00 2.60 -3.692857119e+00 2.62 -3.648493157e+00 2.64 -3.599902439e+00 2.66 -3.547930021e+00 2.68 -3.493042939e+00 2.70 -3.435370634e+00 2.72 -3.375326948e+00 2.74 -3.313278631e+00 2.76 -3.249677980e+00 2.78 -3.183199670e+00 2.80 -3.115635373e+00 2.82 -3.047393306e+00 2.84 -2.978699364e+00 2.86 -2.909766517e+00 2.88 -2.840784350e+00 2.90 -2.771922973e+00 2.92 -2.703334544e+00 2.94 -2.635178163e+00 2.96 -2.567986063e+00 2.98 -2.501413384e+00 3.00 -2.435547580e+00 3.02 -2.370473057e+00 3.04 -2.306263395e+00 3.06 -2.242982426e+00 3.08 -2.180685189e+00 3.10 -2.119418238e+00 3.12 -2.059220869e+00 3.14 -2.000126005e+00 3.16 -1.942159672e+00 3.18 -1.885343344e+00 3.20 -1.829692495e+00 3.22 -1.775216354e+00 3.24 -1.721919527e+00 3.26 -1.670718352e+00 3.28 -1.620963748e+00 3.30 -1.572330942e+00 3.32 -1.524847336e+00 3.34 -1.478326423e+00 3.36 -1.432562560e+00 3.38 -1.387578976e+00 3.40 -1.343591724e+00 3.42 -1.300738596e+00 3.44 -1.259045308e+00 3.46 -1.218460486e+00 3.48 -1.178955116e+00 3.50 -1.140504708e+00 3.52 -1.103085409e+00 3.54 -1.066673999e+00 3.56 -1.031257394e+00 3.58 -9.968248634e-01 3.60 -9.633631862e-01 3.62 -9.308239984e-01 3.64 -8.991454118e-01 3.66 -8.683499538e-01 3.68 -8.384500034e-01 3.70 -8.094464479e-01 3.72 -7.813409807e-01 3.74 -7.541312673e-01 3.76 -7.278500579e-01 3.78 -7.024797130e-01 3.80 -6.778904711e-01 3.82 -6.539917540e-01 3.84 -6.307171229e-01 3.86 -6.080191477e-01 3.88 -5.858651868e-01 3.90 -5.641840539e-01 3.92 -5.429146370e-01 3.94 -5.220903414e-01 3.96 -5.017417278e-01 3.98 -4.818818396e-01 4.00 -4.625023788e-01 4.02 -4.436674227e-01 4.04 -4.254304543e-01 4.06 -4.078508048e-01 4.08 -3.910134711e-01 4.10 -3.748322788e-01 4.12 -3.592189608e-01 4.14 -3.441025130e-01 4.16 -3.294264278e-01 4.18 -3.151462929e-01 4.20 -3.012277209e-01 4.22 -2.876445653e-01 4.24 -2.743773927e-01 4.26 -2.614121788e-01 4.28 -2.487391969e-01 4.30 -2.363520814e-01 4.32 -2.242468494e-01 4.34 -2.123853250e-01 4.36 -2.007768616e-01 4.38 -1.894654412e-01 4.40 -1.784845412e-01 4.42 -1.678588004e-01 4.44 -1.576054525e-01 4.46 -1.477355587e-01 4.48 -1.382550600e-01 4.50 -1.291656812e-01 4.52 -1.204657011e-01 4.54 -1.121506085e-01 4.56 -1.042136612e-01 4.58 -9.664828637e-02 4.60 -8.984579583e-02 4.62 -8.375811902e-02 4.64 -7.796011508e-02 4.66 -7.244255037e-02 4.68 -6.719571230e-02 4.70 -6.220957731e-02 4.72 -5.747395012e-02 4.74 -5.297857804e-02 4.76 -4.871324491e-02 4.78 -4.467202799e-02 4.80 -4.086699722e-02 4.82 -3.792908086e-02 4.84 -3.517140593e-02 4.86 -3.255868449e-02 4.88 -3.008217557e-02 4.90 -2.773538022e-02 4.92 -2.551201232e-02 4.94 -2.340600884e-02 4.96 -2.141153634e-02 4.98 -1.952299423e-02 5.00 -1.773501545e-02 5.02 -1.604246507e-02 5.04 -1.444043718e-02 5.06 -1.292425045e-02 5.08 -1.148944265e-02 5.10 -1.013176441e-02 5.12 -8.847172396e-03 5.14 -7.631822099e-03 5.16 -6.482060339e-03 5.18 -5.394417663e-03 5.20 -4.365600660e-03 5.22 -3.392484310e-03 5.24 -2.472104431e-03 5.26 -1.601650268e-03 5.28 -7.789621685e-04 5.30 -1.220207313e-15 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00