# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Cu # implementation = 2025--Sharifi-H--Co-Cu--LAMMPS--ipr1 # composition = Co2Cu # 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 2025-07-01 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 7.832572841e+02 0.92 7.195497666e+02 0.94 6.596561847e+02 0.96 6.031672165e+02 0.98 5.502212940e+02 1.00 5.008644123e+02 1.02 4.550605663e+02 1.04 4.127169262e+02 1.06 3.737022145e+02 1.08 3.378601318e+02 1.10 3.050191508e+02 1.12 2.749996606e+02 1.14 2.476191675e+02 1.16 2.226960618e+02 1.18 2.000523306e+02 1.20 1.795154899e+02 1.22 1.609199347e+02 1.24 1.441078653e+02 1.26 1.289298557e+02 1.28 1.152451594e+02 1.30 1.029218012e+02 1.32 9.183653333e+01 1.34 8.187474031e+01 1.36 7.293024849e+01 1.38 6.490506049e+01 1.40 5.770903620e+01 1.42 5.125953484e+01 1.44 4.548102893e+01 1.46 4.030470170e+01 1.48 3.566803477e+01 1.50 3.151439304e+01 1.52 2.779261345e+01 1.54 2.445660061e+01 1.56 2.146493360e+01 1.58 1.878048718e+01 1.60 1.637006355e+01 1.62 1.420405232e+01 1.64 1.225611077e+01 1.66 1.050285778e+01 1.68 8.923588467e+00 1.70 7.500008675e+00 1.72 6.215989263e+00 1.74 5.057340065e+00 1.76 4.011600652e+00 1.78 3.067806808e+00 1.80 2.216243072e+00 1.82 1.448296325e+00 1.84 7.563603617e-01 1.86 1.337231196e-01 1.88 -4.255882709e-01 1.90 -9.270029549e-01 1.92 -1.375497419e+00 1.94 -1.775634111e+00 1.96 -2.131595953e+00 1.98 -2.447218006e+00 2.00 -2.726016430e+00 2.02 -2.971214958e+00 2.04 -3.185769207e+00 2.06 -3.372388902e+00 2.08 -3.533558234e+00 2.10 -3.671554546e+00 2.12 -3.788465422e+00 2.14 -3.886228165e+00 2.16 -3.966834601e+00 2.18 -4.031382680e+00 2.20 -4.081534822e+00 2.22 -4.118693736e+00 2.24 -4.144093443e+00 2.26 -4.158864671e+00 2.28 -4.164043317e+00 2.30 -4.160578218e+00 2.32 -4.149337655e+00 2.34 -4.131074962e+00 2.36 -4.106420156e+00 2.38 -4.075956203e+00 2.40 -4.040228169e+00 2.42 -3.999745363e+00 2.44 -3.954983351e+00 2.46 -3.906396943e+00 2.48 -3.855149906e+00 2.50 -3.802320895e+00 2.52 -3.744373650e+00 2.54 -3.684089437e+00 2.56 -3.621778277e+00 2.58 -3.558090763e+00 2.60 -3.496328188e+00 2.62 -3.431853960e+00 2.64 -3.363847416e+00 2.66 -3.295065608e+00 2.68 -3.225703534e+00 2.70 -3.155940918e+00 2.72 -3.085943157e+00 2.74 -3.015862217e+00 2.76 -2.945837470e+00 2.78 -2.875996495e+00 2.80 -2.806455826e+00 2.82 -2.737321660e+00 2.84 -2.668690527e+00 2.86 -2.600649920e+00 2.88 -2.533278887e+00 2.90 -2.466648596e+00 2.92 -2.400822861e+00 2.94 -2.335858641e+00 2.96 -2.271806510e+00 2.98 -2.208711101e+00 3.00 -2.146611522e+00 3.02 -2.085662771e+00 3.04 -2.027373738e+00 3.06 -1.972231186e+00 3.08 -1.914337091e+00 3.10 -1.857491133e+00 3.12 -1.801782970e+00 3.14 -1.747222749e+00 3.16 -1.693817646e+00 3.18 -1.641572106e+00 3.20 -1.590488064e+00 3.22 -1.540565152e+00 3.24 -1.491800893e+00 3.26 -1.444190889e+00 3.28 -1.397728987e+00 3.30 -1.352407438e+00 3.32 -1.308217050e+00 3.34 -1.265147328e+00 3.36 -1.223186598e+00 3.38 -1.182322135e+00 3.40 -1.142540275e+00 3.42 -1.103826516e+00 3.44 -1.066165620e+00 3.46 -1.029541705e+00 3.48 -9.939383215e-01 3.50 -9.593385398e-01 3.52 -9.257250145e-01 3.54 -8.930800536e-01 3.56 -8.613856778e-01 3.58 -8.306236763e-01 3.60 -8.007756568e-01 3.62 -7.718230915e-01 3.64 -7.437473585e-01 3.66 -7.165297793e-01 3.68 -6.901516531e-01 3.70 -6.645942873e-01 3.72 -6.398390251e-01 3.74 -6.158672717e-01 3.76 -5.926605167e-01 3.78 -5.702003567e-01 3.80 -5.484685145e-01 3.82 -5.274468591e-01 3.84 -5.071174238e-01 3.86 -4.874624240e-01 3.88 -4.684642741e-01 3.90 -4.501056047e-01 3.92 -4.323692780e-01 3.94 -4.152384038e-01 3.96 -3.986963536e-01 3.98 -3.827267740e-01 4.00 -3.673135988e-01 4.02 -3.524410599e-01 4.04 -3.380936957e-01 4.06 -3.242563591e-01 4.08 -3.109142223e-01 4.10 -2.980527808e-01 4.12 -2.856578550e-01 4.14 -2.737155907e-01 4.16 -2.622124577e-01 4.18 -2.511352470e-01 4.20 -2.404710676e-01 4.22 -2.302073413e-01 4.24 -2.203317978e-01 4.26 -2.106336206e-01 4.28 -1.969512789e-01 4.30 -1.654546403e-01 4.32 -1.022359371e-01 4.34 -7.835706152e-02 4.36 -7.256900404e-02 4.38 -6.703077934e-02 4.40 -6.173401133e-02 4.42 -5.667054202e-02 4.44 -5.183242831e-02 4.46 -4.721193860e-02 4.48 -4.280154938e-02 4.50 -3.859394174e-02 4.52 -3.458199778e-02 4.54 -3.075879702e-02 4.56 -2.711761273e-02 4.58 -2.365190828e-02 4.60 -2.035533343e-02 4.62 -1.722172061e-02 4.64 -1.424508120e-02 4.66 -1.141960183e-02 4.68 -8.739640661e-03 4.70 -6.199723684e-03 4.72 -3.794541050e-03 4.74 -1.518943388e-03 4.76 6.320618031e-04 4.78 2.663313767e-03 4.80 4.579502067e-03 4.82 6.385170108e-03 4.84 8.084718635e-03 4.86 9.682409192e-03 4.88 1.118236752e-02 4.90 1.258858692e-02 4.92 1.376976613e-02 4.94 1.301306103e-02 4.96 6.714491417e-03 4.98 -3.475723768e-03 5.00 -3.935717609e-23 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