# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2MgTi # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.030537459e+02 3.030537459e+02 1.30 2.806521282e+02 2.806521282e+02 1.32 2.599414220e+02 2.599414220e+02 1.34 2.407849124e+02 2.407849124e+02 1.36 2.230573338e+02 2.230573338e+02 1.38 2.066446713e+02 2.066446713e+02 1.40 1.914432134e+02 1.914432134e+02 1.42 1.773582169e+02 1.773582169e+02 1.44 1.643027990e+02 1.643027990e+02 1.46 1.521971931e+02 1.521971931e+02 1.48 1.409682608e+02 1.409682608e+02 1.50 1.305491695e+02 1.305491695e+02 1.52 1.208790124e+02 1.208790124e+02 1.54 1.119021913e+02 1.119021913e+02 1.56 1.035677237e+02 1.035677237e+02 1.58 9.582865845e+01 9.582865845e+01 1.60 8.864160628e+01 8.864160628e+01 1.62 8.196633710e+01 8.196633710e+01 1.64 7.576543252e+01 7.576543252e+01 1.66 7.000405634e+01 7.000405634e+01 1.68 6.464979123e+01 6.464979123e+01 1.70 5.967384200e+01 5.967384200e+01 1.72 5.504978564e+01 5.504978564e+01 1.74 5.075197722e+01 5.075197722e+01 1.76 4.675706352e+01 4.675706352e+01 1.78 4.304367502e+01 4.304367502e+01 1.80 3.959214274e+01 3.959214274e+01 1.82 3.638431515e+01 3.638431515e+01 1.84 3.340343380e+01 3.340343380e+01 1.86 3.063401329e+01 3.063401329e+01 1.88 2.806169473e+01 2.806169473e+01 1.90 2.567308972e+01 2.567308972e+01 1.92 2.345563763e+01 2.345563763e+01 1.94 2.139750299e+01 2.139750299e+01 1.96 1.948753032e+01 1.948753032e+01 1.98 1.771525087e+01 1.771525087e+01 2.00 1.607090616e+01 1.607090616e+01 2.02 1.454545150e+01 1.454545150e+01 2.04 1.313052756e+01 1.313052756e+01 2.06 1.181841006e+01 1.181841006e+01 2.08 1.060195413e+01 1.060195413e+01 2.10 9.474544751e+00 9.474544751e+00 2.12 8.430052253e+00 8.430052253e+00 2.14 7.462788551e+00 7.462788551e+00 2.16 6.567464141e+00 6.567464141e+00 2.18 5.739146988e+00 5.739146988e+00 2.20 4.973227592e+00 4.973227592e+00 2.22 4.265388890e+00 4.265388890e+00 2.24 3.611585187e+00 3.611585187e+00 2.26 3.008031508e+00 3.008031508e+00 2.28 2.451201583e+00 2.451201583e+00 2.30 1.937831119e+00 1.937831119e+00 2.32 1.464913042e+00 1.464913042e+00 2.34 1.029686293e+00 1.029686293e+00 2.36 6.296131025e-01 6.296131025e-01 2.38 2.623517838e-01 2.623517838e-01 2.40 -7.427277135e-02 -7.427277135e-02 2.42 -3.822975013e-01 -3.822975013e-01 2.44 -6.636441623e-01 -6.636441623e-01 2.46 -9.201370846e-01 -9.201370846e-01 2.48 -1.153535850e+00 -1.153535850e+00 2.50 -1.365535817e+00 -1.365535817e+00 2.52 -1.557654593e+00 -1.557654593e+00 2.54 -1.731341096e+00 -1.731341096e+00 2.56 -1.887980365e+00 -1.887980365e+00 2.58 -2.028890775e+00 -2.028890775e+00 2.60 -2.155321039e+00 -2.155321039e+00 2.62 -2.268444978e+00 -2.268444978e+00 2.64 -2.369307575e+00 -2.369307575e+00 2.66 -2.458774053e+00 -2.458774053e+00 2.68 -2.537637143e+00 -2.537637143e+00 2.70 -2.606626446e+00 -2.606626446e+00 2.72 -2.666407796e+00 -2.666407796e+00 2.74 -2.717588513e+00 -2.717588513e+00 2.76 -2.760726031e+00 -2.760726031e+00 2.78 -2.796337065e+00 -2.796337065e+00 2.80 -2.824906418e+00 -2.824906418e+00 2.82 -2.846892400e+00 -2.846892400e+00 2.84 -2.862732207e+00 -2.862732207e+00 2.86 -2.872849076e+00 -2.872849076e+00 2.88 -2.877820900e+00 -2.877820900e+00 2.90 -2.877978836e+00 -2.877978836e+00 2.92 -2.873519775e+00 -2.873519775e+00 2.94 -2.864664869e+00 -2.864664869e+00 2.96 -2.851656899e+00 -2.851656899e+00 2.98 -2.834759555e+00 -2.834759555e+00 3.00 -2.814257715e+00 -2.814257715e+00 3.02 -2.790456907e+00 -2.790456907e+00 3.04 -2.763683441e+00 -2.763683441e+00 3.06 -2.734287583e+00 -2.734287583e+00 3.08 -2.702617156e+00 -2.702617156e+00 3.10 -2.669002372e+00 -2.669002372e+00 3.12 -2.633744356e+00 -2.633744356e+00 3.14 -2.597108449e+00 -2.597108449e+00 3.16 -2.559320098e+00 -2.559320098e+00 3.18 -2.520567244e+00 -2.520567244e+00 3.20 -2.481004705e+00 -2.481004705e+00 3.22 -2.440760445e+00 -2.440760445e+00 3.24 -2.399942106e+00 -2.399942106e+00 3.26 -2.358656978e+00 -2.358656978e+00 3.28 -2.316987894e+00 -2.316987894e+00 3.30 -2.274996091e+00 -2.274996091e+00 3.32 -2.232742110e+00 -2.232742110e+00 3.34 -2.190286280e+00 -2.190286280e+00 3.36 -2.147688691e+00 -2.147688691e+00 3.38 -2.105009017e+00 -2.105009017e+00 3.40 -2.062306480e+00 -2.062306480e+00 3.42 -2.019639660e+00 -2.019639660e+00 3.44 -1.977052266e+00 -1.977052266e+00 3.46 -1.934577192e+00 -1.934577192e+00 3.48 -1.892255231e+00 -1.892255231e+00 3.50 -1.850135425e+00 -1.850135425e+00 3.52 -1.808274048e+00 -1.808274048e+00 3.54 -1.766732702e+00 -1.766732702e+00 3.56 -1.725575467e+00 -1.725575467e+00 3.58 -1.684865296e+00 -1.684865296e+00 3.60 -1.644660153e+00 -1.644660153e+00 3.62 -1.605009541e+00 -1.605009541e+00 3.64 -1.565952049e+00 -1.565952049e+00 3.66 -1.527514273e+00 -1.527514273e+00 3.68 -1.489711144e+00 -1.489711144e+00 3.70 -1.452547392e+00 -1.452547392e+00 3.72 -1.416019702e+00 -1.416019702e+00 3.74 -1.380119119e+00 -1.380119119e+00 3.76 -1.344833345e+00 -1.344833345e+00 3.78 -1.310148712e+00 -1.310148712e+00 3.80 -1.276051749e+00 -1.276051749e+00 3.82 -1.242530286e+00 -1.242530286e+00 3.84 -1.209574166e+00 -1.209574166e+00 3.86 -1.177175554e+00 -1.177175554e+00 3.88 -1.145328943e+00 -1.145328943e+00 3.90 -1.114030882e+00 -1.114030882e+00 3.92 -1.083279403e+00 -1.083279403e+00 3.94 -1.053074016e+00 -1.053074016e+00 3.96 -1.023414293e+00 -1.023414293e+00 3.98 -9.942999698e-01 -9.942999698e-01 4.00 -9.657303810e-01 -9.657303810e-01 4.02 -9.377041883e-01 -9.377041883e-01 4.04 -9.102192391e-01 -9.102192391e-01 4.06 -8.832725546e-01 -8.832725546e-01 4.08 -8.568604335e-01 -8.568604335e-01 4.10 -8.309783232e-01 -8.309783232e-01 4.12 -8.056225261e-01 -8.056225261e-01 4.14 -7.807883390e-01 -7.807883390e-01 4.16 -7.564720461e-01 -7.564720461e-01 4.18 -7.326709385e-01 -7.326709385e-01 4.20 -7.093837363e-01 -7.093837363e-01 4.22 -6.866109426e-01 -6.866109426e-01 4.24 -6.643550765e-01 -6.643550765e-01 4.26 -6.426207307e-01 -6.426207307e-01 4.28 -6.214144065e-01 -6.214144065e-01 4.30 -6.007441018e-01 -6.007441018e-01 4.32 -5.806186551e-01 -5.806186551e-01 4.34 -5.610468870e-01 -5.610468870e-01 4.36 -5.420366135e-01 -5.420366135e-01 4.38 -5.235936357e-01 -5.235936357e-01 4.40 -5.057208168e-01 -5.057208168e-01 4.42 -4.884173513e-01 -4.884173513e-01 4.44 -4.716782991e-01 -4.716782991e-01 4.46 -4.554944209e-01 -4.554944209e-01 4.48 -4.398523040e-01 -4.398523040e-01 4.50 -4.247347348e-01 -4.247347348e-01 4.52 -4.101212489e-01 -4.101212489e-01 4.54 -3.959887842e-01 -3.959887842e-01 4.56 -3.823123635e-01 -3.823123635e-01 4.58 -3.690657541e-01 -3.690657541e-01 4.60 -3.562220644e-01 -3.562220644e-01 4.62 -3.437542620e-01 -3.437542620e-01 4.64 -3.316356106e-01 -3.316356106e-01 4.66 -3.198400368e-01 -3.198400368e-01 4.68 -3.083424430e-01 -3.083424430e-01 4.70 -2.971189895e-01 -2.971189895e-01 4.72 -2.861473632e-01 -2.861473632e-01 4.74 -2.754070542e-01 -2.754070542e-01 4.76 -2.648796509e-01 -2.648796509e-01 4.78 -2.545491611e-01 -2.545491611e-01 4.80 -2.444021281e-01 -2.444021281e-01 4.82 -2.344289544e-01 -2.344289544e-01 4.84 -2.246227495e-01 -2.246227495e-01 4.86 -2.149807101e-01 -2.149807101e-01 4.88 -2.055040936e-01 -2.055040936e-01 4.90 -1.961983523e-01 -1.961983523e-01 4.92 -1.870731051e-01 -1.870731051e-01 4.94 -1.781419027e-01 -1.781419027e-01 4.96 -1.694217547e-01 -1.694217547e-01 4.98 -1.609324104e-01 -1.609324104e-01 5.00 -1.526954065e-01 -1.526954065e-01 5.02 -1.447329312e-01 -1.447329312e-01 5.04 -1.370665783e-01 -1.370665783e-01 5.06 -1.297160922e-01 -1.297160922e-01 5.08 -1.226982091e-01 -1.226982091e-01 5.10 -1.160256977e-01 -1.160256977e-01 5.12 -1.097066770e-01 -1.097066770e-01 5.14 -1.037442607e-01 -1.037442607e-01 5.16 -9.813653861e-02 -9.813653861e-02 5.18 -9.287683664e-02 -9.287683664e-02 5.20 -8.795425009e-02 -8.795425009e-02 5.22 -8.335434397e-02 -8.335434397e-02 5.24 -7.905993742e-02 -7.905993742e-02 5.26 -7.505135287e-02 -7.505135287e-02 5.28 -7.130786232e-02 -7.130786232e-02 5.30 -6.780934762e-02 -6.780934762e-02 5.32 -6.453554831e-02 -6.453554831e-02 5.34 -6.146649650e-02 -6.146649650e-02 5.36 -5.858296250e-02 -5.858296250e-02 5.38 -5.586676039e-02 -5.586676039e-02 5.40 -5.330093724e-02 -5.330093724e-02 5.42 -5.086986993e-02 -5.086986993e-02 5.44 -4.855929232e-02 -4.855929232e-02 5.46 -4.635627323e-02 -4.635627323e-02 5.48 -4.424916300e-02 -4.424916300e-02 5.50 -4.222752390e-02 -4.222752390e-02 5.52 -4.028205709e-02 -4.028205709e-02 5.54 -3.840453576e-02 -3.840453576e-02 5.56 -3.658775150e-02 -3.658775150e-02 5.58 -3.482547770e-02 -3.482547770e-02 5.60 -3.311245079e-02 -3.311245079e-02 5.62 -3.144436655e-02 -3.144436655e-02 5.64 -2.981788649e-02 -2.981788649e-02 5.66 -2.823064627e-02 -2.823064627e-02 5.68 -2.668125704e-02 -2.668125704e-02 5.70 -2.516928870e-02 -2.516928870e-02 5.72 -2.369522728e-02 -2.369522728e-02 5.74 -2.226039811e-02 -2.226039811e-02 5.76 -2.086685033e-02 -2.086685033e-02 5.78 -1.951720294e-02 -1.951720294e-02 5.80 -1.821445707e-02 -1.821445707e-02 5.82 -1.696178425e-02 -1.696178425e-02 5.84 -1.576230420e-02 -1.576230420e-02 5.86 -1.461886803e-02 -1.461886803e-02 5.88 -1.353382425e-02 -1.353382425e-02 5.90 -1.250876432e-02 -1.250876432e-02 5.92 -1.154477971e-02 -1.154477971e-02 5.94 -1.064218639e-02 -1.064218639e-02 5.96 -9.800483094e-03 -9.800483094e-03 5.98 -9.018395495e-03 -9.018395495e-03 6.00 -8.293960075e-03 -8.293960075e-03