# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I-Sun-Y-Zhang-F-et-al--Cu-Zr # implementation = EAM_Mendelev_2019_CuZr__MO_945018740343_000 # composition = CuZr2 # 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 3.184095118e+04 1.26 2.565649107e+04 1.28 2.071959340e+04 1.30 1.676806979e+04 1.32 1.359750708e+04 1.34 1.104761414e+04 1.36 8.992316141e+03 1.38 7.332198338e+03 1.40 5.988548208e+03 1.42 4.898915271e+03 1.44 4.013695083e+03 1.46 3.293238191e+03 1.48 2.705904524e+03 1.50 2.226352309e+03 1.52 1.834191712e+03 1.54 1.512994100e+03 1.56 1.249509827e+03 1.58 1.033044523e+03 1.60 8.549607317e+02 1.62 7.082722290e+02 1.64 5.873158308e+02 1.66 4.874845679e+02 1.68 4.050149107e+02 1.70 3.368175360e+02 1.72 2.803457992e+02 1.74 2.335149555e+02 1.76 1.946296908e+02 1.78 1.623042105e+02 1.80 1.354003877e+02 1.82 1.129812583e+02 1.84 9.427526803e+01 1.86 7.864885916e+01 1.88 6.558224289e+01 1.90 5.464589722e+01 1.92 4.548194150e+01 1.94 3.778803336e+01 1.96 3.130572590e+01 1.98 2.582113224e+01 2.00 2.116681574e+01 2.02 1.723766232e+01 2.04 1.392063570e+01 2.06 1.111565489e+01 2.08 8.742299115e+00 2.10 6.736087236e+00 2.12 5.044669528e+00 2.14 3.623757998e+00 2.16 2.434000206e+00 2.18 1.439168978e+00 2.20 6.062913901e-01 2.22 -1.174839562e-01 2.24 -7.171463883e-01 2.26 -1.233527764e+00 2.28 -1.682996949e+00 2.30 -2.080021705e+00 2.32 -2.438224952e+00 2.34 -2.768972125e+00 2.36 -3.078581992e+00 2.38 -3.369683697e+00 2.40 -3.642490579e+00 2.42 -3.895794670e+00 2.44 -4.127813923e+00 2.46 -4.336867961e+00 2.48 -4.521854409e+00 2.50 -4.682501205e+00 2.52 -4.819349348e+00 2.54 -4.933416276e+00 2.56 -5.025692465e+00 2.58 -5.097293620e+00 2.60 -5.149659380e+00 2.62 -5.185073281e+00 2.64 -5.207239725e+00 2.66 -5.219528436e+00 2.68 -5.224183329e+00 2.70 -5.222900964e+00 2.72 -5.216986951e+00 2.74 -5.207371483e+00 2.76 -5.194735416e+00 2.78 -5.179606490e+00 2.80 -5.162311256e+00 2.82 -5.142940340e+00 2.84 -5.121315585e+00 2.86 -5.097134457e+00 2.88 -5.070293015e+00 2.90 -5.040085158e+00 2.92 -5.005346609e+00 2.94 -4.965142181e+00 2.96 -4.918710136e+00 2.98 -4.865814434e+00 3.00 -4.806982737e+00 3.02 -4.743563060e+00 3.04 -4.677847296e+00 3.06 -4.612729842e+00 3.08 -4.550317876e+00 3.10 -4.491689738e+00 3.12 -4.437135042e+00 3.14 -4.386374377e+00 3.16 -4.338762904e+00 3.18 -4.293435485e+00 3.20 -4.249415667e+00 3.22 -4.205703686e+00 3.24 -4.161345095e+00 3.26 -4.115480616e+00 3.28 -4.067381351e+00 3.30 -4.016473381e+00 3.32 -3.962351714e+00 3.34 -3.904786007e+00 3.36 -3.843717729e+00 3.38 -3.779250237e+00 3.40 -3.711633674e+00 3.42 -3.641246035e+00 3.44 -3.568571612e+00 3.46 -3.494173514e+00 3.48 -3.418656169e+00 3.50 -3.342634582e+00 3.52 -3.266707828e+00 3.54 -3.191434150e+00 3.56 -3.117308232e+00 3.58 -3.044741173e+00 3.60 -2.974043563e+00 3.62 -2.905411994e+00 3.64 -2.838919205e+00 3.66 -2.774507996e+00 3.68 -2.711988963e+00 3.70 -2.651056732e+00 3.72 -2.591369766e+00 3.74 -2.532598435e+00 3.76 -2.474437034e+00 3.78 -2.416615740e+00 3.80 -2.358912843e+00 3.82 -2.301166096e+00 3.84 -2.243282691e+00 3.86 -2.185245788e+00 3.88 -2.127114889e+00 3.90 -2.069018800e+00 3.92 -2.011139345e+00 3.94 -1.953683743e+00 3.96 -1.896843477e+00 3.98 -1.840737982e+00 4.00 -1.785382344e+00 4.02 -1.730745791e+00 4.04 -1.676800694e+00 4.06 -1.623545804e+00 4.08 -1.571003148e+00 4.10 -1.519212977e+00 4.12 -1.468229333e+00 4.14 -1.418116185e+00 4.16 -1.368944072e+00 4.18 -1.320787231e+00 4.20 -1.273721141e+00 4.22 -1.227820460e+00 4.24 -1.183157303e+00 4.26 -1.139799833e+00 4.28 -1.097811110e+00 4.30 -1.057248186e+00 4.32 -1.018161402e+00 4.34 -9.805938511e-01 4.36 -9.445809912e-01 4.38 -9.101503807e-01 4.40 -8.773215096e-01 4.42 -8.461056460e-01 4.44 -8.165050330e-01 4.46 -7.885119822e-01 4.48 -7.621085943e-01 4.50 -7.372665728e-01 4.52 -7.139470806e-01 4.54 -6.921006565e-01 4.56 -6.716672186e-01 4.58 -6.525761869e-01 4.60 -6.347467592e-01 4.62 -6.180883781e-01 4.64 -6.025014254e-01 4.66 -5.878781753e-01 4.68 -5.741041917e-01 4.70 -5.610607331e-01 4.72 -5.486272992e-01 4.74 -5.366841321e-01 4.76 -5.251149727e-01 4.78 -5.138100916e-01 4.80 -5.026696209e-01 4.82 -4.916072365e-01 4.84 -4.805542770e-01 4.86 -4.694643514e-01 4.88 -4.583132899e-01 4.90 -4.470872451e-01 4.92 -4.357783671e-01 4.94 -4.243847085e-01 4.96 -4.129100646e-01 4.98 -4.013636828e-01 5.00 -3.897598389e-01 5.02 -3.781172734e-01 5.04 -3.664584857e-01 5.06 -3.548088801e-01 5.08 -3.431957615e-01 5.10 -3.316471771e-01 5.12 -3.201906022e-01 5.14 -3.088514662e-01 5.16 -2.976515191e-01 5.18 -2.866070347e-01 5.20 -2.757268524e-01 5.22 -2.650117718e-01 5.24 -2.544622718e-01 5.26 -2.440833943e-01 5.28 -2.338837780e-01 5.30 -2.238744477e-01 5.32 -2.140676805e-01 5.34 -2.044759564e-01 5.36 -1.951110018e-01 5.38 -1.859829338e-01 5.40 -1.770995180e-01 5.42 -1.684655463e-01 5.44 -1.600823485e-01 5.46 -1.519474483e-01 5.48 -1.440543752e-01 5.50 -1.363926463e-01 5.52 -1.289479303e-01 5.54 -1.217024090e-01 5.56 -1.146353490e-01 5.58 -1.077239015e-01 5.60 -1.009441434e-01 5.62 -9.427237806e-02 5.64 -8.768671232e-02 5.66 -8.116892690e-02 5.68 -7.470665964e-02 5.70 -6.829591972e-02 5.72 -6.194395283e-02 5.74 -5.567247743e-02 5.76 -4.952131293e-02 5.78 -4.355242130e-02 5.80 -3.785438420e-02 5.82 -3.254435219e-02 5.84 -2.774036413e-02 5.86 -2.353295530e-02 5.88 -1.998595190e-02 5.90 -1.713995254e-02 5.92 -1.501554646e-02 5.94 -1.361627965e-02 5.96 -1.293137979e-02 5.98 -1.293825085e-02 6.00 -1.360474783e-02