# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--OBrien-C-J-Barr-C-M-Price-P-M-et-al--Pt-Au # implementation = EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_000 # composition = Au2Pt # 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 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 nan 1.76 nan 1.78 nan 1.80 nan 1.82 nan 1.84 nan 1.86 nan 1.88 nan 1.90 nan 1.92 nan 1.94 nan 1.96 nan 1.98 nan 2.00 nan 2.02 nan 2.04 nan 2.06 nan 2.08 9.410247378e+00 2.10 8.225301355e+00 2.12 7.124151613e+00 2.14 6.102960799e+00 2.16 5.157728459e+00 2.18 4.284321779e+00 2.20 3.478077928e+00 2.22 2.735708432e+00 2.24 2.058800733e+00 2.26 1.434365267e+00 2.28 8.632914632e-01 2.30 3.424406330e-01 2.32 -1.344116721e-01 2.34 -5.672537708e-01 2.36 -9.601631308e-01 2.38 -1.315581948e+00 2.40 -1.635738945e+00 2.42 -1.922953627e+00 2.44 -2.179498254e+00 2.46 -2.407827866e+00 2.48 -2.609018890e+00 2.50 -2.784315896e+00 2.52 -2.944831893e+00 2.54 -3.081567457e+00 2.56 -3.199878795e+00 2.58 -3.300897712e+00 2.60 -3.385608405e+00 2.62 -3.454908949e+00 2.64 -3.509690157e+00 2.66 -3.550848002e+00 2.68 -3.579231727e+00 2.70 -3.595700875e+00 2.72 -3.601171327e+00 2.74 -3.596562621e+00 2.76 -3.582816791e+00 2.78 -3.563604731e+00 2.80 -3.535502133e+00 2.82 -3.501226091e+00 2.84 -3.461517577e+00 2.86 -3.417042982e+00 2.88 -3.367257662e+00 2.90 -3.315524797e+00 2.92 -3.260989064e+00 2.94 -3.204113889e+00 2.96 -3.144856546e+00 2.98 -3.083199918e+00 3.00 -3.020801089e+00 3.02 -2.957611838e+00 3.04 -2.893366094e+00 3.06 -2.828317538e+00 3.08 -2.762629307e+00 3.10 -2.696105211e+00 3.12 -2.628743931e+00 3.14 -2.562072432e+00 3.16 -2.495322047e+00 3.18 -2.430687681e+00 3.20 -2.361780531e+00 3.22 -2.293739828e+00 3.24 -2.227002672e+00 3.26 -2.161880041e+00 3.28 -2.098558538e+00 3.30 -2.037106703e+00 3.32 -1.977483488e+00 3.34 -1.919547382e+00 3.36 -1.863065726e+00 3.38 -1.807739478e+00 3.40 -1.753414913e+00 3.42 -1.700071606e+00 3.44 -1.647696302e+00 3.46 -1.596084975e+00 3.48 -1.543888556e+00 3.50 -1.492330667e+00 3.52 -1.441414733e+00 3.54 -1.394283991e+00 3.56 -1.348215434e+00 3.58 -1.303266571e+00 3.60 -1.259494890e+00 3.62 -1.216907017e+00 3.64 -1.175491932e+00 3.66 -1.135236817e+00 3.68 -1.096127256e+00 3.70 -1.058147427e+00 3.72 -1.021280272e+00 3.74 -9.855076803e-01 3.76 -9.508421440e-01 3.78 -9.180770639e-01 3.80 -8.870131240e-01 3.82 -8.564145837e-01 3.84 -8.265992198e-01 3.86 -7.967263104e-01 3.88 -7.678242765e-01 3.90 -7.398599972e-01 3.92 -7.128106111e-01 3.94 -6.866532306e-01 3.96 -6.613650034e-01 3.98 -6.369231526e-01 4.00 -6.133050428e-01 4.02 -5.904882138e-01 4.04 -5.684504192e-01 4.06 -5.471696659e-01 4.08 -5.266242400e-01 4.10 -5.067927370e-01 4.12 -4.876540781e-01 4.14 -4.691875409e-01 4.16 -4.513727690e-01 4.18 -4.341897892e-01 4.20 -4.176190232e-01 4.22 -4.016412981e-01 4.24 -3.862378542e-01 4.26 -3.713903538e-01 4.28 -3.570808822e-01 4.30 -3.432919481e-01 4.32 -3.300064883e-01 4.34 -3.172078825e-01 4.36 -3.048799226e-01 4.38 -2.930068192e-01 4.40 -2.815732576e-01 4.42 -2.705642630e-01 4.44 -2.599653565e-01 4.46 -2.497624099e-01 4.48 -2.399417522e-01 4.50 -2.304900488e-01 4.52 -2.213944601e-01 4.54 -2.126423944e-01 4.56 -2.042217767e-01 4.58 -1.961208538e-01 4.60 -1.883281129e-01 4.62 -1.808327241e-01 4.64 -1.736238399e-01 4.66 -1.666910829e-01 4.68 -1.600246584e-01 4.70 -1.536147960e-01 4.72 -1.474524250e-01 4.74 -1.415439622e-01 4.76 -1.358609993e-01 4.78 -1.303686639e-01 4.80 -1.250540442e-01 4.82 -1.199461434e-01 4.84 -1.150890535e-01 4.86 -1.105143447e-01 4.88 -1.062175476e-01 4.90 -1.013724425e-01 4.92 -9.523403335e-02 4.94 -8.928154609e-02 4.96 -8.513628002e-02 4.98 -8.178833356e-02 5.00 -8.003372682e-02 5.02 -7.849020710e-02 5.04 -7.706506640e-02 5.06 -7.566781409e-02 5.08 -7.422781549e-02 5.10 -7.266375072e-02 5.12 -7.087572784e-02 5.14 -6.886997827e-02 5.16 -6.666100356e-02 5.18 -6.431280721e-02 5.20 -6.192693296e-02 5.22 -5.960501153e-02 5.24 -5.744001105e-02 5.26 -5.550954252e-02 5.28 -5.389942246e-02 5.30 -5.265990804e-02 5.32 -5.171756707e-02 5.34 -5.099527312e-02 5.36 -5.042661038e-02 5.38 -4.995491035e-02 5.40 -4.953203706e-02 5.42 -4.911706965e-02 5.44 -4.867478484e-02 5.46 -4.817402378e-02 5.48 -4.758612045e-02 5.50 -4.688358108e-02 5.52 -4.604710040e-02 5.54 -4.508446902e-02 5.56 -4.400944558e-02 5.58 -4.283378630e-02 5.60 -4.157200066e-02 5.62 -4.025315926e-02 5.64 -3.873878332e-02 5.66 -3.420590158e-02 5.68 -2.408185727e-02 5.70 -1.160431568e-02 5.72 -2.972046206e-03 5.74 -1.054332387e-04 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