# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPt2 # 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 nan 0.86 nan 0.88 1.164855262e+03 0.90 1.062085431e+03 0.92 9.691394161e+02 0.94 8.849705045e+02 0.96 8.086670270e+02 0.98 7.394246432e+02 1.00 6.765358619e+02 1.02 6.193701238e+02 1.04 5.673690424e+02 1.06 5.200352519e+02 1.08 4.769199358e+02 1.10 4.376255387e+02 1.12 4.017923543e+02 1.14 3.690951262e+02 1.16 3.392426605e+02 1.18 3.119716259e+02 1.20 2.870428899e+02 1.22 2.642395462e+02 1.24 2.433689350e+02 1.26 2.242539327e+02 1.28 2.067343694e+02 1.30 1.906633527e+02 1.32 1.759108647e+02 1.34 1.623584194e+02 1.36 1.498979984e+02 1.38 1.384317430e+02 1.40 1.278709464e+02 1.42 1.181344178e+02 1.44 1.091503597e+02 1.46 1.008528822e+02 1.48 9.318219011e+01 1.50 8.608414254e+01 1.52 7.950974399e+01 1.54 7.341440447e+01 1.56 6.775738828e+01 1.58 6.250207731e+01 1.60 5.761635685e+01 1.62 5.307019604e+01 1.64 4.883635572e+01 1.66 4.489001631e+01 1.68 4.120868200e+01 1.70 3.777189825e+01 1.72 3.456096042e+01 1.74 3.155902227e+01 1.76 2.875406921e+01 1.78 2.614054941e+01 1.80 2.370957792e+01 1.82 2.144896388e+01 1.84 1.932518987e+01 1.86 1.736946077e+01 1.88 1.554978164e+01 1.90 1.385699897e+01 1.92 1.228286018e+01 1.94 1.081973762e+01 1.96 9.460600109e+00 1.98 8.198793625e+00 2.00 7.028466210e+00 2.02 5.944047941e+00 2.04 4.940340228e+00 2.06 4.012323850e+00 2.08 3.155284559e+00 2.10 2.365246935e+00 2.12 1.637855735e+00 2.14 9.696286860e-01 2.16 3.573679622e-01 2.18 -2.019526118e-01 2.20 -7.119837200e-01 2.22 -1.175843483e+00 2.24 -1.596362147e+00 2.26 -1.976250257e+00 2.28 -2.317990908e+00 2.30 -2.624260322e+00 2.32 -2.897580530e+00 2.34 -3.139982943e+00 2.36 -3.353600901e+00 2.38 -3.540459910e+00 2.40 -3.702483287e+00 2.42 -3.841359381e+00 2.44 -3.958410519e+00 2.46 -4.055823926e+00 2.48 -4.135151007e+00 2.50 -4.197854886e+00 2.52 -4.245313139e+00 2.54 -4.278820981e+00 2.56 -4.299557622e+00 2.58 -4.308680024e+00 2.60 -4.307274562e+00 2.62 -4.296334354e+00 2.64 -4.276785474e+00 2.66 -4.249811905e+00 2.68 -4.216185010e+00 2.70 -4.176323378e+00 2.72 -4.130911899e+00 2.74 -4.080586172e+00 2.76 -4.025929896e+00 2.78 -3.967517216e+00 2.80 -3.904190133e+00 2.82 -3.838000840e+00 2.84 -3.769492350e+00 2.86 -3.699055238e+00 2.88 -3.627036351e+00 2.90 -3.553777294e+00 2.92 -3.479816736e+00 2.94 -3.405112967e+00 2.96 -3.329905531e+00 2.98 -3.254411339e+00 3.00 -3.178825989e+00 3.02 -3.103330238e+00 3.04 -3.028058822e+00 3.06 -2.953109105e+00 3.08 -2.878643708e+00 3.10 -2.804820843e+00 3.12 -2.731733463e+00 3.14 -2.659471533e+00 3.16 -2.588113609e+00 3.18 -2.517728596e+00 3.20 -2.448376010e+00 3.22 -2.380107559e+00 3.24 -2.312948519e+00 3.26 -2.247936679e+00 3.28 -2.184393863e+00 3.30 -2.122002687e+00 3.32 -2.060790504e+00 3.34 -2.000765322e+00 3.36 -1.941966239e+00 3.38 -1.884352173e+00 3.40 -1.827753812e+00 3.42 -1.772168924e+00 3.44 -1.717675610e+00 3.46 -1.664449773e+00 3.48 -1.612538037e+00 3.50 -1.561897289e+00 3.52 -1.512499540e+00 3.54 -1.464325737e+00 3.56 -1.417360946e+00 3.58 -1.371597384e+00 3.60 -1.327030084e+00 3.62 -1.283631226e+00 3.64 -1.241366381e+00 3.66 -1.200232967e+00 3.68 -1.160222531e+00 3.70 -1.121331088e+00 3.72 -1.083475380e+00 3.74 -1.046556656e+00 3.76 -1.010639381e+00 3.78 -9.757766756e-01 3.80 -9.420061765e-01 3.82 -9.093518193e-01 3.84 -8.778093585e-01 3.86 -8.474682114e-01 3.88 -8.183007887e-01 3.90 -7.900728003e-01 3.92 -7.626115349e-01 3.94 -7.357725132e-01 3.96 -7.093387916e-01 3.98 -6.833082869e-01 4.00 -6.577233843e-01 4.02 -6.326270529e-01 4.04 -6.080608663e-01 4.06 -5.840635881e-01 4.08 -5.606498932e-01 4.10 -5.378498809e-01 4.12 -5.158096961e-01 4.14 -4.944330134e-01 4.16 -4.736360101e-01 4.18 -4.533553487e-01 4.20 -4.335444738e-01 4.22 -4.141704235e-01 4.24 -3.952111041e-01 4.26 -3.766529720e-01 4.28 -3.584890767e-01 4.30 -3.407174179e-01 4.32 -3.233395789e-01 4.34 -3.063560304e-01 4.36 -2.897273800e-01 4.38 -2.735074895e-01 4.40 -2.577649046e-01 4.42 -2.425498917e-01 4.44 -2.278976106e-01 4.46 -2.138308049e-01 4.48 -2.003620775e-01 4.50 -1.874958104e-01 4.52 -1.752297802e-01 4.54 -1.635565153e-01 4.56 -1.524641747e-01 4.58 -1.419166484e-01 4.60 -1.325037037e-01 4.62 -1.241394427e-01 4.64 -1.161922793e-01 4.66 -1.086672423e-01 4.68 -1.015477365e-01 4.70 -9.481670676e-02 4.72 -8.845696193e-02 4.74 -8.245136555e-02 4.76 -7.678298736e-02 4.78 -7.143522119e-02 4.80 -6.639187696e-02 4.82 -6.163724791e-02 4.84 -5.715616116e-02 4.86 -5.293401190e-02 4.88 -4.895678474e-02 4.90 -4.521106516e-02 4.92 -4.168404284e-02 4.94 -3.836350857e-02 4.96 -3.523784542e-02 4.98 -3.229601607e-02 5.00 -2.952754708e-02 5.02 -2.692251149e-02 5.04 -2.447150951e-02 5.06 -2.216564729e-02 5.08 -1.999651596e-02 5.10 -1.795617022e-02 5.12 -1.603710698e-02 5.14 -1.423224408e-02 5.16 -1.253489924e-02 5.18 -1.093876972e-02 5.20 -9.437912622e-03 5.22 -8.026725942e-03 5.24 -6.699929955e-03 5.26 -5.452529943e-03 5.28 -4.281125742e-03 5.30 -3.209228422e-03 5.32 -2.823721275e-03 5.34 -2.482211483e-03 5.36 -2.166693824e-03 5.38 -1.870884723e-03 5.40 -1.593582609e-03 5.42 -1.333657275e-03 5.44 -1.090045732e-03 5.46 -8.617483231e-04 5.48 -6.478250618e-04 5.50 -4.473921874e-04 5.52 -2.596188622e-04 5.54 -8.259879395e-05 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