# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--In-N # implementation = 2009--Do-E-C--In-N--LAMMPS--ipr1 # composition = InN2 # 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 2.354542572e+03 0.80 2.154707193e+03 0.82 1.971306145e+03 0.84 1.803000249e+03 0.86 1.648560676e+03 0.88 1.506859865e+03 0.90 1.376863053e+03 0.92 1.257620464e+03 0.94 1.148260095e+03 0.96 1.047981122e+03 0.98 9.560478550e+02 1.00 8.717842365e+02 1.02 7.945688235e+02 1.04 7.238302226e+02 1.06 6.590429358e+02 1.08 5.997235759e+02 1.10 5.454274233e+02 1.12 4.957452797e+02 1.14 4.503006027e+02 1.16 4.087468807e+02 1.18 3.707652365e+02 1.20 3.360622268e+02 1.22 3.043678282e+02 1.24 2.754335859e+02 1.26 2.490309133e+02 1.28 2.249495287e+02 1.30 2.029960161e+02 1.32 1.829925005e+02 1.34 1.647754267e+02 1.36 1.481944353e+02 1.38 1.331113246e+02 1.40 1.193990951e+02 1.42 1.069410664e+02 1.44 9.563006457e+01 1.46 8.536767057e+01 1.48 7.606352806e+01 1.50 6.763470454e+01 1.52 6.000510149e+01 1.54 5.310491104e+01 1.56 4.687011386e+01 1.58 4.124201695e+01 1.60 3.616682650e+01 1.62 3.159525477e+01 1.64 2.748215704e+01 1.66 2.378619735e+01 1.68 2.046954016e+01 1.70 1.749756623e+01 1.72 1.483861102e+01 1.74 1.246372335e+01 1.76 1.034644354e+01 1.78 8.462598644e+00 1.80 6.790114380e+00 1.82 5.308841589e+00 1.84 4.000396877e+00 1.86 2.848015705e+00 1.88 1.836417450e+00 1.90 9.516811657e-01 1.92 1.811314010e-01 1.94 -4.867667617e-01 1.96 -1.062504235e+00 1.98 -1.555616522e+00 2.00 -1.974765238e+00 2.02 -2.327812830e+00 2.04 -2.621891335e+00 2.06 -2.863465360e+00 2.08 -3.058389989e+00 2.10 -3.211963829e+00 2.12 -3.328977714e+00 2.14 -3.413759340e+00 2.16 -3.470214180e+00 2.18 -3.501862995e+00 2.20 -3.511876164e+00 2.22 -3.503105169e+00 2.24 -3.478111370e+00 2.26 -3.439192383e+00 2.28 -3.388406176e+00 2.30 -3.327593134e+00 2.32 -3.258396207e+00 2.34 -3.182279340e+00 2.36 -3.100544295e+00 2.38 -3.014346016e+00 2.40 -2.924706654e+00 2.42 -2.832528350e+00 2.44 -2.738604913e+00 2.46 -2.643632434e+00 2.48 -2.548218980e+00 2.50 -2.452893404e+00 2.52 -2.358113369e+00 2.54 -2.264272638e+00 2.56 -2.171707706e+00 2.58 -2.080703821e+00 2.60 -1.991500447e+00 2.62 -1.904296221e+00 2.64 -1.819253444e+00 2.66 -1.736502148e+00 2.68 -1.656143780e+00 2.70 -1.578254526e+00 2.72 -1.502888315e+00 2.74 -1.430079537e+00 2.76 -1.359845478e+00 2.78 -1.292188528e+00 2.80 -1.227098157e+00 2.82 -1.164552691e+00 2.84 -1.104520907e+00 2.86 -1.046963458e+00 2.88 -9.918341544e-01 2.90 -9.390810953e-01 2.92 -8.886476882e-01 2.94 -8.404735487e-01 2.96 -7.944953003e-01 2.98 -7.506472817e-01 3.00 -7.088621713e-01 3.02 -6.690715357e-01 3.04 -6.312063106e-01 3.06 -5.951972208e-01 3.08 -5.609751454e-01 3.10 -5.284714323e-01 3.12 -4.976181703e-01 3.14 -4.683484197e-01 3.16 -4.405964088e-01 3.18 -4.142976973e-01 3.20 -3.893893123e-01 3.22 -3.658098589e-01 3.24 -3.434996082e-01 3.26 -3.224005658e-01 3.28 -3.024565226e-01 3.30 -2.836130902e-01 3.32 -2.658177227e-01 3.34 -2.490197272e-01 3.36 -2.331702630e-01 3.38 -2.182223329e-01 3.40 -2.041307662e-01 3.42 -1.908521951e-01 3.44 -1.783450259e-01 3.46 -1.665694051e-01 3.48 -1.554871820e-01 3.50 -1.450618673e-01 3.52 -1.352585901e-01 3.54 -1.260440522e-01 3.56 -1.173864808e-01 3.58 -1.092555809e-01 3.60 -1.016224856e-01 3.62 -9.445970752e-02 3.64 -8.774108890e-02 3.66 -8.144175251e-02 3.68 -7.553805263e-02 3.70 -7.000752677e-02 3.72 -6.482884787e-02 3.74 -5.998177764e-02 3.76 -5.544712053e-02 3.78 -5.120667903e-02 3.80 -4.724320990e-02 3.82 -4.354038175e-02 3.84 -4.008273367e-02 3.86 -3.685563532e-02 3.88 -3.384524816e-02 3.90 -3.103848807e-02 3.92 -2.934079478e-02 3.94 -3.974324658e-02 3.96 -8.030063523e-02 3.98 -1.129801436e-01 4.00 -1.654178016e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 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