# 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 = CoPb2 # 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 3.966836733e+02 1.16 3.684079562e+02 1.18 3.422793379e+02 1.20 3.181130916e+02 1.22 2.957445333e+02 1.24 2.750258449e+02 1.26 2.558227267e+02 1.28 2.380125905e+02 1.30 2.214835150e+02 1.32 2.061330840e+02 1.34 1.918670487e+02 1.36 1.785983541e+02 1.38 1.662469619e+02 1.40 1.547403386e+02 1.42 1.440137752e+02 1.44 1.340098518e+02 1.46 1.246771423e+02 1.48 1.159686150e+02 1.50 1.078402890e+02 1.52 1.002505944e+02 1.54 9.316048639e+01 1.56 8.653765625e+01 1.58 8.036758433e+01 1.60 7.462015329e+01 1.62 6.926529625e+01 1.64 6.427559412e+01 1.66 5.962599474e+01 1.68 5.529343969e+01 1.70 5.125642344e+01 1.72 4.749466271e+01 1.74 4.398895396e+01 1.76 4.072119194e+01 1.78 3.767444166e+01 1.80 3.483299396e+01 1.82 3.218239135e+01 1.84 2.970940209e+01 1.86 2.740193781e+01 1.88 2.524895072e+01 1.90 2.324030670e+01 1.92 2.136664960e+01 1.94 1.961930137e+01 1.96 1.799015984e+01 1.98 1.647161341e+01 2.00 1.505646399e+01 2.02 1.373788096e+01 2.04 1.250939542e+01 2.06 1.136492821e+01 2.08 1.029882674e+01 2.10 9.305875805e+00 2.12 8.381285639e+00 2.14 7.520648024e+00 2.16 6.719885341e+00 2.18 5.975204042e+00 2.20 5.283056659e+00 2.22 4.640117301e+00 2.24 4.043263133e+00 2.26 3.489559741e+00 2.28 2.976248202e+00 2.30 2.500731440e+00 2.32 2.060557049e+00 2.34 1.653410157e+00 2.36 1.277097374e+00 2.38 9.295405192e-01 2.40 6.087742057e-01 2.42 3.129300520e-01 2.44 4.024276081e-02 2.46 -2.108405780e-01 2.48 -4.417469868e-01 2.50 -6.537863340e-01 2.52 -8.481599359e-01 2.54 -1.025975229e+00 2.56 -1.188263403e+00 2.58 -1.335996117e+00 2.60 -1.470089358e+00 2.62 -1.591368119e+00 2.64 -1.700611106e+00 2.66 -1.798564830e+00 2.68 -1.885942120e+00 2.70 -1.963419011e+00 2.72 -2.031635367e+00 2.74 -2.091197035e+00 2.76 -2.142678146e+00 2.78 -2.186621985e+00 2.80 -2.223544898e+00 2.82 -2.253931478e+00 2.84 -2.278238188e+00 2.86 -2.296892777e+00 2.88 -2.310295348e+00 2.90 -2.318820368e+00 2.92 -2.322819966e+00 2.94 -2.322709612e+00 2.96 -2.318793959e+00 2.98 -2.311287294e+00 3.00 -2.300423461e+00 3.02 -2.286454238e+00 3.04 -2.269644188e+00 3.06 -2.250269699e+00 3.08 -2.228602168e+00 3.10 -2.204898041e+00 3.12 -2.179374445e+00 3.14 -2.152236630e+00 3.16 -2.123675274e+00 3.18 -2.093870362e+00 3.20 -2.062990138e+00 3.22 -2.031190847e+00 3.24 -1.998615955e+00 3.26 -1.965395189e+00 3.28 -1.931643952e+00 3.30 -1.897463497e+00 3.32 -1.862941955e+00 3.34 -1.828155982e+00 3.36 -1.793172696e+00 3.38 -1.758051517e+00 3.40 -1.722845158e+00 3.42 -1.687603010e+00 3.44 -1.652368217e+00 3.46 -1.617180608e+00 3.48 -1.582076193e+00 3.50 -1.547087286e+00 3.52 -1.512242687e+00 3.54 -1.477568018e+00 3.56 -1.443086294e+00 3.58 -1.408818751e+00 3.60 -1.374785944e+00 3.62 -1.341009029e+00 3.64 -1.307511131e+00 3.66 -1.274318597e+00 3.68 -1.241461917e+00 3.70 -1.208976099e+00 3.72 -1.176900308e+00 3.74 -1.145276730e+00 3.76 -1.114148750e+00 3.78 -1.083558690e+00 3.80 -1.053545464e+00 3.82 -1.024142533e+00 3.84 -9.953764540e-01 3.86 -9.672661828e-01 3.88 -9.398231346e-01 3.90 -9.130518565e-01 3.92 -8.869499602e-01 3.94 -8.615141431e-01 3.96 -8.367338988e-01 3.98 -8.125978865e-01 4.00 -7.890933997e-01 4.02 -7.662070095e-01 4.04 -7.439250029e-01 4.06 -7.222336509e-01 4.08 -7.011193529e-01 4.10 -6.805674198e-01 4.12 -6.605674164e-01 4.14 -6.411047473e-01 4.16 -6.221665245e-01 4.18 -6.037399795e-01 4.20 -5.858124460e-01 4.22 -5.683713522e-01 4.24 -5.514042242e-01 4.26 -5.348986966e-01 4.28 -5.188425300e-01 4.30 -5.032236295e-01 4.32 -4.880300624e-01 4.34 -4.732500718e-01 4.36 -4.588720828e-01 4.38 -4.448846999e-01 4.40 -4.312766946e-01 4.42 -4.180369834e-01 4.44 -4.051545959e-01 4.46 -3.926186365e-01 4.48 -3.804182402e-01 4.50 -3.685425260e-01 4.52 -3.569805518e-01 4.54 -3.457212727e-01 4.56 -3.347535078e-01 4.58 -3.240659178e-01 4.60 -3.136470002e-01 4.62 -3.034851028e-01 4.64 -2.935684636e-01 4.66 -2.838852805e-01 4.68 -2.744238161e-01 4.70 -2.651725424e-01 4.72 -2.561203278e-01 4.74 -2.472566696e-01 4.76 -2.385719655e-01 4.78 -2.300578197e-01 4.80 -2.217053176e-01 4.82 -2.135138533e-01 4.84 -2.054780960e-01 4.86 -1.975974636e-01 4.88 -1.898737641e-01 4.90 -1.823111147e-01 4.92 -1.749156771e-01 4.94 -1.676952065e-01 4.96 -1.606584351e-01 4.98 -1.538143447e-01 5.00 -1.471714030e-01 5.02 -1.407368526e-01 5.04 -1.345161339e-01 5.06 -1.285125202e-01 5.08 -1.227269884e-01 5.10 -1.171583290e-01 5.12 -1.118034574e-01 5.14 -1.066578709e-01 5.16 -1.017161693e-01 5.18 -9.697257857e-02 5.20 -9.242141064e-02 5.22 -8.805741555e-02 5.24 -8.387599972e-02 5.26 -7.987330499e-02 5.28 -7.604612692e-02 5.30 -7.239095171e-02 5.32 -6.890548468e-02 5.34 -6.558789719e-02 5.36 -6.243600121e-02 5.38 -5.944703287e-02 5.40 -5.661748675e-02 5.42 -5.394301532e-02 5.44 -5.141839793e-02 5.46 -4.903757555e-02 5.48 -4.679374069e-02 5.50 -4.467946828e-02 5.52 -4.268687161e-02 5.54 -4.080776834e-02 5.56 -3.903384366e-02 5.58 -3.735680097e-02 5.60 -3.576849340e-02 5.62 -3.426103294e-02 5.64 -3.282687632e-02 5.66 -3.145888888e-02 5.68 -3.015038891e-02 5.70 -2.889517570e-02 5.72 -2.768754476e-02 5.74 -2.652229377e-02 5.76 -2.539472217e-02 5.78 -2.430062709e-02 5.80 -2.323629763e-02 5.82 -2.219850874e-02 5.84 -2.118451576e-02 5.86 -2.019204938e-02 5.88 -1.921931103e-02 5.90 -1.826496748e-02 5.92 -1.732814354e-02 5.94 -1.640841112e-02 5.96 -1.550577297e-02 5.98 -1.462063912e-02 6.00 -1.375379486e-02