# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Averback-R-S--Pt-C # implementation = Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_002 # composition = CPt2 # 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 2024-11-27 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 6.210373357e+03 0.70 5.571309156e+03 0.72 5.011199149e+03 0.74 4.521967149e+03 0.76 4.071859264e+03 0.78 3.656109018e+03 0.80 3.286398297e+03 0.82 2.972895622e+03 0.84 2.702781203e+03 0.86 2.449602746e+03 0.88 2.213114038e+03 0.90 1.998096233e+03 0.92 1.810415702e+03 0.94 1.652511820e+03 0.96 1.512517974e+03 0.98 1.385441205e+03 1.00 1.269497704e+03 1.02 1.158264492e+03 1.04 1.051449790e+03 1.06 9.506436974e+02 1.08 8.579098199e+02 1.10 7.761413888e+02 1.12 7.067401218e+02 1.14 6.442394643e+02 1.16 5.869930610e+02 1.18 5.351632814e+02 1.20 4.888430655e+02 1.22 4.480259755e+02 1.24 4.118917397e+02 1.26 3.788749434e+02 1.28 3.486048805e+02 1.30 3.207798679e+02 1.32 2.940947113e+02 1.34 2.659365956e+02 1.36 2.369756395e+02 1.38 2.080793154e+02 1.40 1.802012556e+02 1.42 1.546092207e+02 1.44 1.331383320e+02 1.46 1.178057611e+02 1.48 1.070312559e+02 1.50 9.713408565e+01 1.52 8.802918018e+01 1.54 7.967011136e+01 1.56 7.200985981e+01 1.58 6.500065527e+01 1.60 5.859432525e+01 1.62 5.274297158e+01 1.64 4.739980630e+01 1.66 4.251784731e+01 1.68 3.804484070e+01 1.70 3.394646360e+01 1.72 3.019334544e+01 1.74 2.675839798e+01 1.76 2.361663442e+01 1.78 2.074376235e+01 1.80 1.808506616e+01 1.82 1.562136392e+01 1.84 1.335311448e+01 1.86 1.127873243e+01 1.88 9.394124915e+00 1.90 7.692563446e+00 1.92 6.164839315e+00 1.94 4.799646937e+00 1.96 3.584133090e+00 1.98 2.504541521e+00 2.00 1.546876079e+00 2.02 6.975076663e-01 2.04 -6.044511373e-02 2.06 -7.404498173e-01 2.08 -1.348787175e+00 2.10 -1.891265451e+00 2.12 -2.373262681e+00 2.14 -2.799757439e+00 2.16 -3.175357430e+00 2.18 -3.504326056e+00 2.20 -3.790607113e+00 2.22 -4.037847724e+00 2.24 -4.249419664e+00 2.26 -4.428439170e+00 2.28 -4.577785351e+00 2.30 -4.700117292e+00 2.32 -4.797889955e+00 2.34 -4.873368946e+00 2.36 -4.928644246e+00 2.38 -4.965642957e+00 2.40 -4.986141160e+00 2.42 -4.991774920e+00 2.44 -4.984050518e+00 2.46 -4.964353954e+00 2.48 -4.933959778e+00 2.50 -4.894039290e+00 2.52 -4.841026048e+00 2.54 -4.758995639e+00 2.56 -4.635781438e+00 2.58 -4.460414718e+00 2.60 -4.223693382e+00 2.62 -3.920025100e+00 2.64 -3.549026727e+00 2.66 -3.116766746e+00 2.68 -2.636512135e+00 2.70 -2.128798722e+00 2.72 -1.620605056e+00 2.74 -1.143418506e+00 2.76 -7.300989604e-01 2.78 -4.107077758e-01 2.80 -2.078403345e-01 2.82 -8.996882718e-02 2.84 -1.992245787e-02 2.86 0.000000000e+00 2.88 0.000000000e+00 2.90 0.000000000e+00 2.92 0.000000000e+00 2.94 0.000000000e+00 2.96 0.000000000e+00 2.98 0.000000000e+00 3.00 0.000000000e+00 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 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