# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 # composition = AgCu2 # 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 1.941467361e+01 1.66 1.759938005e+01 1.68 1.592336967e+01 1.70 1.437668711e+01 1.72 1.294949002e+01 1.74 1.163213400e+01 1.76 1.041545227e+01 1.78 9.291044091e+00 1.80 8.251445187e+00 1.82 7.290136437e+00 1.84 6.401412619e+00 1.86 5.580194912e+00 1.88 4.821846977e+00 1.90 4.122042422e+00 1.92 3.476686687e+00 1.94 2.881925231e+00 1.96 2.334158617e+00 1.98 1.830078425e+00 2.00 1.366676110e+00 2.02 9.412295787e-01 2.04 5.512609454e-01 2.06 1.944851135e-01 2.08 -1.312441612e-01 2.10 -4.279787317e-01 2.12 -6.977039248e-01 2.14 -9.423503078e-01 2.16 -1.163793329e+00 2.18 -1.363856708e+00 2.20 -1.544292651e+00 2.22 -1.706777916e+00 2.24 -1.852894613e+00 2.26 -1.984114791e+00 2.28 -2.101793439e+00 2.30 -2.207617496e+00 2.32 -2.302787390e+00 2.34 -2.387628961e+00 2.36 -2.462532084e+00 2.38 -2.527904771e+00 2.40 -2.584137412e+00 2.42 -2.631586672e+00 2.44 -2.670577797e+00 2.46 -2.701459282e+00 2.48 -2.724729392e+00 2.50 -2.740755771e+00 2.52 -2.749776981e+00 2.54 -2.752078187e+00 2.56 -2.747990547e+00 2.58 -2.737891107e+00 2.60 -2.722210045e+00 2.62 -2.701418221e+00 2.64 -2.676031513e+00 2.66 -2.646606913e+00 2.68 -2.613724944e+00 2.70 -2.577973673e+00 2.72 -2.539931422e+00 2.74 -2.500143684e+00 2.76 -2.459096231e+00 2.78 -2.417190182e+00 2.80 -2.374725592e+00 2.82 -2.331901814e+00 2.84 -2.288826023e+00 2.86 -2.245537947e+00 2.88 -2.202035173e+00 2.90 -2.158297639e+00 2.92 -2.114307238e+00 2.94 -2.070061383e+00 2.96 -2.025580880e+00 2.98 -1.980913190e+00 3.00 -1.936132171e+00 3.02 -1.891335123e+00 3.04 -1.846637618e+00 3.06 -1.802166454e+00 3.08 -1.758051243e+00 3.10 -1.714415483e+00 3.12 -1.671368280e+00 3.14 -1.628997949e+00 3.16 -1.587368380e+00 3.18 -1.546518428e+00 3.20 -1.506463950e+00 3.22 -1.467201690e+00 3.24 -1.428714036e+00 3.26 -1.390974087e+00 3.28 -1.353949855e+00 3.30 -1.317608160e+00 3.32 -1.281917421e+00 3.34 -1.246849620e+00 3.36 -1.212381447e+00 3.38 -1.178491688e+00 3.40 -1.145173686e+00 3.42 -1.112414522e+00 3.44 -1.080208210e+00 3.46 -1.048550639e+00 3.48 -1.017438290e+00 3.50 -9.868670500e-01 3.52 -9.568312109e-01 3.54 -9.273227488e-01 3.56 -8.983309240e-01 3.58 -8.698422466e-01 3.60 -8.418408282e-01 3.62 -8.143091349e-01 3.64 -7.872291426e-01 3.66 -7.605838782e-01 3.68 -7.343592943e-01 3.70 -7.085463785e-01 3.72 -6.831433292e-01 3.74 -6.581575576e-01 3.76 -6.336072095e-01 3.78 -6.095218651e-01 3.80 -5.859421062e-01 3.82 -5.629177500e-01 3.84 -5.405047408e-01 3.86 -5.187609412e-01 3.88 -4.977413036e-01 3.90 -4.774930660e-01 3.92 -4.580516449e-01 3.94 -4.394377672e-01 3.96 -4.216542816e-01 3.98 -4.046941813e-01 4.00 -3.885298685e-01 4.02 -3.731242237e-01 4.04 -3.584312228e-01 4.06 -3.443988966e-01 4.08 -3.309720461e-01 4.10 -3.180945434e-01 4.12 -3.057111567e-01 4.14 -2.937689227e-01 4.16 -2.822181419e-01 4.18 -2.710130942e-01 4.20 -2.601125728e-01 4.22 -2.494803211e-01 4.24 -2.390854320e-01 4.26 -2.289027426e-01 4.28 -2.189132248e-01 4.30 -2.091043433e-01 4.32 -1.994703220e-01 4.34 -1.900122429e-01 4.36 -1.807378887e-01 4.38 -1.716612499e-01 4.40 -1.628016408e-01 4.42 -1.541824143e-01 4.44 -1.458293241e-01 4.46 -1.377686416e-01 4.48 -1.300251898e-01 4.50 -1.226204790e-01 4.52 -1.155711320e-01 4.54 -1.088877432e-01 4.56 -1.025742605e-01 4.58 -9.662790519e-02 4.60 -9.103957679e-02 4.62 -8.579464342e-02 4.64 -8.087398959e-02 4.66 -7.625518934e-02 4.68 -7.191369603e-02 4.70 -6.782396109e-02 4.72 -6.396038307e-02 4.74 -6.029792015e-02 4.76 -5.681354415e-02 4.78 -5.348622944e-02 4.80 -5.029725559e-02 4.82 -4.723053288e-02 4.84 -4.427280570e-02 4.86 -4.141375126e-02 4.88 -3.864598315e-02 4.90 -3.596496323e-02 4.92 -3.336882190e-02 4.94 -3.085808642e-02 4.96 -2.843532040e-02 4.98 -2.610468278e-02 5.00 -2.387142542e-02 5.02 -2.174135412e-02 5.04 -1.972028554e-02 5.06 -1.781353610e-02 5.08 -1.602547753e-02 5.10 -1.435908481e-02 5.12 -1.281574179e-02 5.14 -1.139550274e-02 5.16 -1.009675252e-02 5.18 -8.916305373e-03 5.20 -7.849598946e-03 5.22 -6.890940853e-03 5.24 -6.033780961e-03 5.26 -5.270985911e-03 5.28 -4.595097257e-03 5.30 -3.998560270e-03 5.32 -3.473915945e-03 5.34 -3.013953383e-03 5.36 -2.611823400e-03 5.38 -2.261116643e-03 5.40 -1.955910982e-03 5.42 -1.690793534e-03 5.44 -1.460862721e-03 5.46 -1.261715331e-03 5.48 -1.089422956e-03 5.50 -9.405014613e-04 5.52 -8.118763944e-04 5.54 -7.008466073e-04 5.56 -6.050477645e-04 5.58 -5.224169237e-04 5.60 -4.511200983e-04 5.62 -3.896817122e-04 5.64 -3.367066897e-04 5.66 -2.910269010e-04 5.68 -2.516331523e-04 5.70 -2.176545190e-04 5.72 -1.883400691e-04 5.74 -1.630427869e-04 5.76 -1.412054954e-04 5.78 -1.223485758e-04 5.80 -1.060592869e-04 5.82 -9.198250183e-05 5.84 -7.981268977e-05 5.86 -6.928698922e-05 5.88 -6.017923237e-05 5.90 -5.229479676e-05 5.92 -4.546617381e-05 5.94 -3.954915757e-05 5.96 -3.441956872e-05 5.98 -2.997044005e-05 6.00 -2.610959927e-05