# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Smirnova-D--Cu-Ag-Co # implementation = 2026--Starikov-S--Cu-Ag-Co--LAMMPS--ipr1 # composition = AgCo2 # 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 2026-08-31 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 5.772831972e+02 0.86 5.204638914e+02 0.88 4.700847879e+02 0.90 4.253114210e+02 0.92 3.853230354e+02 0.94 3.495032690e+02 0.96 3.174515053e+02 0.98 2.888029828e+02 1.00 2.628152296e+02 1.02 2.391553111e+02 1.04 2.174349807e+02 1.06 1.977132431e+02 1.08 1.799368553e+02 1.10 1.639366894e+02 1.12 1.495796904e+02 1.14 1.365753138e+02 1.16 1.248514748e+02 1.18 1.142124345e+02 1.20 1.045373950e+02 1.22 9.571273697e+01 1.24 8.762020487e+01 1.26 8.023234618e+01 1.28 7.354853638e+01 1.30 6.750576453e+01 1.32 6.201634903e+01 1.34 5.704638339e+01 1.36 5.255178316e+01 1.38 4.847929545e+01 1.40 4.476576480e+01 1.42 4.130810590e+01 1.44 3.811475067e+01 1.46 3.516100105e+01 1.48 3.242289017e+01 1.50 2.987788318e+01 1.52 2.751560417e+01 1.54 2.533872548e+01 1.56 2.332364594e+01 1.58 2.144710298e+01 1.60 1.969676738e+01 1.62 1.807071965e+01 1.64 1.656805601e+01 1.66 1.520224651e+01 1.68 1.397553183e+01 1.70 1.287295668e+01 1.72 1.187802930e+01 1.74 1.097223381e+01 1.76 1.013602270e+01 1.78 9.350473199e+00 1.80 8.597842234e+00 1.82 7.868176044e+00 1.84 7.180172136e+00 1.86 6.543260262e+00 1.88 5.958135072e+00 1.90 5.413877897e+00 1.92 4.794222558e+00 1.94 4.273802351e+00 1.96 3.762769806e+00 1.98 3.268415476e+00 2.00 2.701929200e+00 2.02 2.143497962e+00 2.04 1.620321600e+00 2.06 1.130465473e+00 2.08 6.745160257e-01 2.10 2.586424311e-01 2.12 -1.237555726e-01 2.14 -4.811161320e-01 2.16 -8.138698337e-01 2.18 -1.120615154e+00 2.20 -1.399543612e+00 2.22 -1.645478726e+00 2.24 -1.855666968e+00 2.26 -2.029871130e+00 2.28 -2.172324090e+00 2.30 -2.288246347e+00 2.32 -2.382324693e+00 2.34 -2.458260413e+00 2.36 -2.519200377e+00 2.38 -2.567983585e+00 2.40 -2.607354546e+00 2.42 -2.639750772e+00 2.44 -2.667443413e+00 2.46 -2.693128358e+00 2.48 -2.715921614e+00 2.50 -2.731872859e+00 2.52 -2.741642331e+00 2.54 -2.745840627e+00 2.56 -2.745026831e+00 2.58 -2.739743038e+00 2.60 -2.730395810e+00 2.62 -2.717237913e+00 2.64 -2.700364611e+00 2.66 -2.679831175e+00 2.68 -2.655956061e+00 2.70 -2.629502076e+00 2.72 -2.601566042e+00 2.74 -2.572998073e+00 2.76 -2.544582968e+00 2.78 -2.517033373e+00 2.80 -2.491093968e+00 2.82 -2.467234865e+00 2.84 -2.444674977e+00 2.86 -2.422362110e+00 2.88 -2.399204938e+00 2.90 -2.374046816e+00 2.92 -2.345735676e+00 2.94 -2.313083185e+00 2.96 -2.274996581e+00 2.98 -2.231452500e+00 3.00 -2.182964988e+00 3.02 -2.130052418e+00 3.04 -2.073223475e+00 3.06 -2.012943070e+00 3.08 -1.949602694e+00 3.10 -1.883686912e+00 3.12 -1.816461040e+00 3.14 -1.749518097e+00 3.16 -1.683887159e+00 3.18 -1.620580017e+00 3.20 -1.560601261e+00 3.22 -1.504938746e+00 3.24 -1.454426362e+00 3.26 -1.405804900e+00 3.28 -1.357456124e+00 3.30 -1.309367191e+00 3.32 -1.261542439e+00 3.34 -1.214011880e+00 3.36 -1.166844681e+00 3.38 -1.120153918e+00 3.40 -1.074099117e+00 3.42 -1.028860047e+00 3.44 -9.846327327e-01 3.46 -9.416451753e-01 3.48 -9.001606943e-01 3.50 -8.604328117e-01 3.52 -8.226617209e-01 3.54 -7.870375244e-01 3.56 -7.537770500e-01 3.58 -7.230854891e-01 3.60 -6.951217388e-01 3.62 -6.699857997e-01 3.64 -6.475053608e-01 3.66 -6.273217964e-01 3.68 -6.090611721e-01 3.70 -5.923332980e-01 3.72 -5.767014429e-01 3.74 -5.617376490e-01 3.76 -5.470428480e-01 3.78 -5.322441185e-01 3.80 -5.169752498e-01 3.82 -5.018113929e-01 3.84 -4.873211803e-01 3.86 -4.734262096e-01 3.88 -4.600639511e-01 3.90 -4.471750535e-01 3.92 -4.346990467e-01 3.94 -4.225759364e-01 3.96 -4.107651432e-01 3.98 -3.992325053e-01 4.00 -3.879666598e-01 4.02 -3.769658921e-01 4.04 -3.662315300e-01 4.06 -3.557794827e-01 4.08 -3.456266445e-01 4.10 -3.357872896e-01 4.12 -3.262728571e-01 4.14 -3.170926942e-01 4.16 -3.082541279e-01 4.18 -2.997624542e-01 4.20 -2.916186194e-01 4.22 -2.838213611e-01 4.24 -2.763683070e-01 4.26 -2.692577599e-01 4.28 -2.624967047e-01 4.30 -2.560944592e-01 4.32 -2.500347454e-01 4.34 -2.442749656e-01 4.36 -2.387672584e-01 4.38 -2.334635416e-01 4.40 -2.283154577e-01 4.42 -2.232746117e-01 4.44 -2.182949262e-01 4.46 -2.133311733e-01 4.48 -2.083377692e-01 4.50 -2.032691727e-01 4.52 -1.980792451e-01 4.54 -1.927209890e-01 4.56 -1.871419574e-01 4.58 -1.812974083e-01 4.60 -1.751817133e-01 4.62 -1.687991701e-01 4.64 -1.621540200e-01 4.66 -1.552580635e-01 4.68 -1.481489609e-01 4.70 -1.408705202e-01 4.72 -1.334664785e-01 4.74 -1.259808165e-01 4.76 -1.184577655e-01 4.78 -1.109416601e-01 4.80 -1.034768324e-01 4.82 -9.610659945e-02 4.84 -8.886844632e-02 4.86 -8.179992452e-02 4.88 -7.494043257e-02 4.90 -6.832954669e-02 4.92 -6.200668163e-02 4.94 -5.601083963e-02 4.96 -5.038118937e-02 4.98 -4.515607797e-02 5.00 -4.036655744e-02 5.02 -3.604132502e-02 5.04 -3.220862507e-02 5.06 -2.889679500e-02 5.08 -2.613445138e-02 5.10 -2.395473990e-02 5.12 -2.238955859e-02 5.14 -2.139115796e-02 5.16 -2.089235586e-02 5.18 -2.082766172e-02 5.20 -2.113160860e-02 5.22 -2.173874217e-02 5.24 -2.258358002e-02 5.26 -2.360068192e-02 5.28 -2.472256079e-02 5.30 -2.588107920e-02 5.32 -2.701207020e-02 5.34 -2.805165231e-02 5.36 -2.893604968e-02 5.38 -2.967400831e-02 5.40 -3.070228101e-02 5.42 -3.204837301e-02 5.44 -3.365212947e-02 5.46 -3.545206079e-02 5.48 -3.738715764e-02 5.50 -3.940299864e-02 5.52 -4.144682793e-02 5.54 -4.345910154e-02 5.56 -4.537162540e-02 5.58 -4.711638564e-02 5.60 -4.862187477e-02 5.62 -4.981188908e-02 5.64 -5.061179130e-02 5.66 -5.096986543e-02 5.68 -5.090016989e-02 5.70 -5.043103758e-02 5.72 -4.959253345e-02 5.74 -4.841623591e-02 5.76 -4.693475920e-02 5.78 -4.518122715e-02 5.80 -4.318877935e-02 5.82 -4.098972582e-02 5.84 -3.861506927e-02 5.86 -3.609370635e-02 5.88 -3.345196655e-02 5.90 -3.071622510e-02 5.92 -2.791658671e-02 5.94 -2.507473517e-02 5.96 -2.221796255e-02 5.98 -1.937657723e-02 6.00 -1.658373901e-02