# 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 = 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 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 8.556942233e+02 0.90 7.771434263e+02 0.92 7.067042098e+02 0.94 6.434575388e+02 0.96 5.866015760e+02 0.98 5.354274722e+02 1.00 4.893130370e+02 1.02 4.477045949e+02 1.04 4.101167972e+02 1.06 3.761198483e+02 1.08 3.453280211e+02 1.10 3.174047475e+02 1.12 2.920488835e+02 1.14 2.689908926e+02 1.16 2.479944700e+02 1.18 2.288481577e+02 1.20 2.113626109e+02 1.22 1.953686995e+02 1.24 1.807195174e+02 1.26 1.672824040e+02 1.28 1.549391067e+02 1.30 1.435821260e+02 1.32 1.331194063e+02 1.34 1.234676262e+02 1.36 1.145518402e+02 1.38 1.063051927e+02 1.40 9.866744496e+01 1.42 9.158442235e+01 1.44 8.500934606e+01 1.46 7.889897600e+01 1.48 7.321454917e+01 1.50 6.792153282e+01 1.52 6.298858173e+01 1.54 5.838693500e+01 1.56 5.409051798e+01 1.58 5.007628017e+01 1.60 4.632431419e+01 1.62 4.281545600e+01 1.64 3.953202448e+01 1.66 3.645828254e+01 1.68 3.357969613e+01 1.70 3.088289737e+01 1.72 2.834872391e+01 1.74 2.596525486e+01 1.76 2.375583811e+01 1.78 2.168814733e+01 1.80 1.975400200e+01 1.82 1.794573954e+01 1.84 1.625588913e+01 1.86 1.467746531e+01 1.88 1.320384850e+01 1.90 1.182883677e+01 1.92 1.054706028e+01 1.94 9.353194914e+00 1.96 8.242234473e+00 1.98 7.209308101e+00 2.00 6.250119850e+00 2.02 5.360470721e+00 2.04 4.536369360e+00 2.06 3.773780174e+00 2.08 3.068931246e+00 2.10 2.418845800e+00 2.12 1.819853498e+00 2.14 1.269193806e+00 2.16 7.641820378e-01 2.18 3.020553758e-01 2.20 -1.199338733e-01 2.22 -5.043819125e-01 2.24 -8.528157384e-01 2.26 -1.168099051e+00 2.28 -1.452585805e+00 2.30 -1.708398607e+00 2.32 -1.937631748e+00 2.34 -2.141904455e+00 2.36 -2.322965516e+00 2.38 -2.482466862e+00 2.40 -2.621969462e+00 2.42 -2.742977369e+00 2.44 -2.846843645e+00 2.46 -2.934839329e+00 2.48 -3.008189999e+00 2.50 -3.067426086e+00 2.52 -3.114323827e+00 2.54 -3.149939757e+00 2.56 -3.175231426e+00 2.58 -3.191094727e+00 2.60 -3.198366903e+00 2.62 -3.197829492e+00 2.64 -3.190211712e+00 2.66 -3.176489465e+00 2.68 -3.157266150e+00 2.70 -3.132830727e+00 2.72 -3.103726326e+00 2.74 -3.070458600e+00 2.76 -3.033491927e+00 2.78 -2.993626914e+00 2.80 -2.951094367e+00 2.82 -2.906031111e+00 2.84 -2.858506550e+00 2.86 -2.807405345e+00 2.88 -2.754719032e+00 2.90 -2.700883479e+00 2.92 -2.646324068e+00 2.94 -2.590977673e+00 2.96 -2.535011634e+00 2.98 -2.478665088e+00 3.00 -2.422117672e+00 3.02 -2.365512643e+00 3.04 -2.308983731e+00 3.06 -2.252650996e+00 3.08 -2.196622363e+00 3.10 -2.140994432e+00 3.12 -2.085853428e+00 3.14 -2.031276185e+00 3.16 -1.977330676e+00 3.18 -1.924076534e+00 3.20 -1.871566344e+00 3.22 -1.819845552e+00 3.24 -1.768936185e+00 3.26 -1.719762103e+00 3.28 -1.671722325e+00 3.30 -1.624531771e+00 3.32 -1.578212278e+00 3.34 -1.532792759e+00 3.36 -1.488275136e+00 3.38 -1.444669073e+00 3.40 -1.402004787e+00 3.42 -1.360311566e+00 3.44 -1.319378789e+00 3.46 -1.279140205e+00 3.48 -1.239677816e+00 3.50 -1.201115009e+00 3.52 -1.163540076e+00 3.54 -1.126943242e+00 3.56 -1.091293405e+00 3.58 -1.056571064e+00 3.60 -1.022756531e+00 3.62 -9.898275104e-01 3.64 -9.577760443e-01 3.66 -9.265978593e-01 3.68 -8.962831384e-01 3.70 -8.668158539e-01 3.72 -8.381259795e-01 3.74 -8.101968000e-01 3.76 -7.830528137e-01 3.78 -7.566969869e-01 3.80 -7.311307378e-01 3.82 -7.063609562e-01 3.84 -6.823898289e-01 3.86 -6.592692290e-01 3.88 -6.369625933e-01 3.90 -6.152840892e-01 3.92 -5.941025484e-01 3.94 -5.734252821e-01 3.96 -5.532627409e-01 3.98 -5.336266148e-01 4.00 -5.145286685e-01 4.02 -4.959798836e-01 4.04 -4.779898488e-01 4.06 -4.606010045e-01 4.08 -4.438806219e-01 4.10 -4.276496657e-01 4.12 -4.118152509e-01 4.14 -3.963180315e-01 4.16 -3.811133537e-01 4.18 -3.661687336e-01 4.20 -3.514616733e-01 4.22 -3.369777752e-01 4.24 -3.227091224e-01 4.26 -3.086528954e-01 4.28 -2.948101971e-01 4.30 -2.811850602e-01 4.32 -2.677830014e-01 4.34 -2.545725954e-01 4.36 -2.415861894e-01 4.38 -2.288862890e-01 4.40 -2.165213588e-01 4.42 -2.045280384e-01 4.44 -1.929330473e-01 4.46 -1.817548193e-01 4.48 -1.710049030e-01 4.50 -1.606891577e-01 4.52 -1.508087748e-01 4.54 -1.413611472e-01 4.56 -1.323404202e-01 4.58 -1.237228784e-01 4.60 -1.159423527e-01 4.62 -1.089421220e-01 4.64 -1.022632435e-01 4.66 -9.591059589e-02 4.68 -8.987311685e-02 4.70 -8.413924110e-02 4.72 -7.869714211e-02 4.74 -7.353487943e-02 4.76 -6.864051901e-02 4.78 -6.400223024e-02 4.80 -5.960836462e-02 4.82 -5.544751649e-02 4.84 -5.150857151e-02 4.86 -4.778074283e-02 4.88 -4.425359735e-02 4.90 -4.091707421e-02 4.92 -3.776149652e-02 4.94 -3.477757783e-02 4.96 -3.195642357e-02 4.98 -2.928952900e-02 5.00 -2.676877423e-02 5.02 -2.438641725e-02 5.04 -2.213508509e-02 5.06 -2.000776278e-02 5.08 -1.799778212e-02 5.10 -1.609880949e-02 5.12 -1.430483333e-02 5.14 -1.261015117e-02 5.16 -1.100935651e-02 5.18 -9.497325802e-03 5.20 -8.069205720e-03 5.22 -6.720400581e-03 5.24 -5.446559823e-03 5.26 -4.243543198e-03 5.28 -3.108941813e-03 5.30 -2.071276062e-03 5.32 -1.810791562e-03 5.34 -1.589592871e-03 5.36 -1.387581589e-03 5.38 -1.198177156e-03 5.40 -1.020612362e-03 5.42 -8.541653986e-04 5.44 -6.981572448e-04 5.46 -5.519492038e-04 5.48 -4.149405918e-04 5.50 -2.865665533e-04 5.52 -1.662959693e-04 5.54 -5.290870047e-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