# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Co # implementation = 2018--Jeong-G-U--Pd-Co--LAMMPS--ipr1 # composition = Co2Pd # 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 1.841389908e+03 0.86 1.705239764e+03 0.88 1.578780685e+03 0.90 1.461342065e+03 0.92 1.352298587e+03 0.94 1.251067233e+03 0.96 1.157104494e+03 0.98 1.069903746e+03 1.00 9.889928112e+02 1.02 9.139316660e+02 1.04 8.443103026e+02 1.06 7.797467290e+02 1.08 7.198850987e+02 1.10 6.643939623e+02 1.12 6.129646342e+02 1.14 5.653096655e+02 1.16 5.211614167e+02 1.18 4.802707253e+02 1.20 4.424056595e+02 1.22 4.073503552e+02 1.24 3.749039294e+02 1.26 3.448794651e+02 1.28 3.171030637e+02 1.30 2.914129601e+02 1.32 2.676586967e+02 1.34 2.457003525e+02 1.36 2.254078228e+02 1.38 2.066601480e+02 1.40 1.893448866e+02 1.42 1.733575306e+02 1.44 1.586009593e+02 1.46 1.449849312e+02 1.48 1.324256085e+02 1.50 1.208451149e+02 1.52 1.101711228e+02 1.54 1.003364678e+02 1.56 9.127879069e+01 1.58 8.294020235e+01 1.60 7.526697227e+01 1.62 6.820923793e+01 1.64 6.172073411e+01 1.66 5.575854062e+01 1.68 5.028284736e+01 1.70 4.525673541e+01 1.72 4.064597321e+01 1.74 3.641882670e+01 1.76 3.254588258e+01 1.78 2.899988372e+01 1.80 2.575557602e+01 1.82 2.278956579e+01 1.84 2.008018703e+01 1.86 1.760737804e+01 1.88 1.535256646e+01 1.90 1.329856242e+01 1.92 1.142945916e+01 1.94 9.730540541e+00 1.96 8.188195097e+00 1.98 6.789836098e+00 2.00 5.523827233e+00 2.02 4.379413547e+00 2.04 3.346657236e+00 2.06 2.416378001e+00 2.08 1.580097619e+00 2.10 8.299884553e-01 2.12 1.588256353e-01 2.14 -4.400573698e-01 2.16 -9.728099889e-01 2.18 -1.445102842e+00 2.20 -1.862163288e+00 2.22 -2.229384095e+00 2.24 -2.556586808e+00 2.26 -2.838712952e+00 2.28 -3.078921777e+00 2.30 -3.284477805e+00 2.32 -3.458563479e+00 2.34 -3.604104520e+00 2.36 -3.723789403e+00 2.38 -3.820087426e+00 2.40 -3.895265441e+00 2.42 -3.951403365e+00 2.44 -3.990408551e+00 2.46 -4.014029090e+00 2.48 -4.023866142e+00 2.50 -4.021385342e+00 2.52 -4.007927366e+00 2.54 -3.984717709e+00 2.56 -3.952875727e+00 2.58 -3.913423010e+00 2.60 -3.867291123e+00 2.62 -3.815328765e+00 2.64 -3.758308385e+00 2.66 -3.696932302e+00 2.68 -3.631838359e+00 2.70 -3.563605142e+00 2.72 -3.492756810e+00 2.74 -3.419767543e+00 2.76 -3.345065664e+00 2.78 -3.269037424e+00 2.80 -3.192030515e+00 2.82 -3.114357291e+00 2.84 -3.036297755e+00 2.86 -2.958102301e+00 2.88 -2.879994249e+00 2.90 -2.802172172e+00 2.92 -2.724812050e+00 2.94 -2.648069244e+00 2.96 -2.572080315e+00 2.98 -2.496964703e+00 3.00 -2.422826266e+00 3.02 -2.349754693e+00 3.04 -2.277826810e+00 3.06 -2.207107774e+00 3.08 -2.137652168e+00 3.10 -2.069505014e+00 3.12 -2.002702694e+00 3.14 -1.937273798e+00 3.16 -1.873239902e+00 3.18 -1.810616280e+00 3.20 -1.749412556e+00 3.22 -1.689633299e+00 3.24 -1.631278570e+00 3.26 -1.574344420e+00 3.28 -1.518823348e+00 3.30 -1.464704711e+00 3.32 -1.411975113e+00 3.34 -1.360618742e+00 3.36 -1.310617692e+00 3.38 -1.261952247e+00 3.40 -1.214601145e+00 3.42 -1.168541813e+00 3.44 -1.123750586e+00 3.46 -1.080202905e+00 3.48 -1.037873490e+00 3.50 -9.967365082e-01 3.52 -9.567657191e-01 3.54 -9.179346072e-01 3.56 -8.802165043e-01 3.58 -8.435846992e-01 3.60 -8.080125377e-01 3.62 -7.734735132e-01 3.64 -7.399413493e-01 3.66 -7.073900744e-01 3.68 -6.757940903e-01 3.70 -6.451282341e-01 3.72 -6.153678353e-01 3.74 -5.864887676e-01 3.76 -5.584674966e-01 3.78 -5.312811237e-01 3.80 -5.049074259e-01 3.82 -4.792898471e-01 3.84 -4.512338065e-01 3.86 -4.035238586e-01 3.88 -3.002186683e-01 3.90 -2.136989857e-01 3.92 -1.972442562e-01 3.94 -1.817821490e-01 3.96 -1.672890564e-01 3.98 -1.537380825e-01 4.00 -1.410991105e-01 4.02 -1.293389604e-01 4.04 -1.184216351e-01 4.06 -1.083086484e-01 4.08 -9.895942370e-02 4.10 -9.033175042e-02 4.12 -8.238228260e-02 4.14 -7.506706129e-02 4.16 -6.834204303e-02 4.18 -6.216361651e-02 4.20 -5.648909059e-02 4.22 -5.127713908e-02 4.24 -4.648819020e-02 4.26 -4.208475152e-02 4.28 -3.803166468e-02 4.30 -3.429628727e-02 4.32 -3.084860235e-02 4.34 -2.766125910e-02 4.36 -2.470955036e-02 4.38 -2.197133473e-02 4.40 -1.942691247e-02 4.42 -1.718174532e-02 4.44 -1.676222497e-02 4.46 -2.074118981e-02 4.48 -2.255535825e-02 4.50 -1.433467284e-22 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 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