# 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 = CuPbPd2 # 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 2.833973674e+02 2.833973674e+02 1.30 2.633109706e+02 2.633109706e+02 1.32 2.446672537e+02 2.446672537e+02 1.34 2.273553403e+02 2.273553403e+02 1.36 2.112711565e+02 2.112711565e+02 1.38 1.963177613e+02 1.963177613e+02 1.40 1.824062953e+02 1.824062953e+02 1.42 1.694560036e+02 1.694560036e+02 1.44 1.573935459e+02 1.573935459e+02 1.46 1.461523971e+02 1.461523971e+02 1.48 1.356723324e+02 1.356723324e+02 1.50 1.258985259e+02 1.258985259e+02 1.52 1.167802880e+02 1.167802880e+02 1.54 1.082699674e+02 1.082699674e+02 1.56 1.003225173e+02 1.003225173e+02 1.58 9.289565652e+01 9.289565652e+01 1.60 8.595030550e+01 8.595030550e+01 1.62 7.945094759e+01 7.945094759e+01 1.64 7.336572275e+01 7.336572275e+01 1.66 6.767803734e+01 6.767803734e+01 1.68 6.239271982e+01 6.239271982e+01 1.70 5.748493766e+01 5.748493766e+01 1.72 5.292914167e+01 5.292914167e+01 1.74 4.870135016e+01 4.870135016e+01 1.76 4.477878790e+01 4.477878790e+01 1.78 4.113979150e+01 4.113979150e+01 1.80 3.776388725e+01 3.776388725e+01 1.82 3.463190363e+01 3.463190363e+01 1.84 3.172604443e+01 3.172604443e+01 1.86 2.902985513e+01 2.902985513e+01 1.88 2.652812027e+01 2.652812027e+01 1.90 2.420673501e+01 2.420673501e+01 1.92 2.205262723e+01 2.205262723e+01 1.94 2.005372578e+01 2.005372578e+01 1.96 1.819895439e+01 1.819895439e+01 1.98 1.647819288e+01 1.647819288e+01 2.00 1.488218636e+01 1.488218636e+01 2.02 1.340241876e+01 1.340241876e+01 2.04 1.203098289e+01 1.203098289e+01 2.06 1.076047868e+01 1.076047868e+01 2.08 9.583952085e+00 9.583952085e+00 2.10 8.494876679e+00 8.494876679e+00 2.12 7.487155308e+00 7.487155308e+00 2.14 6.555129127e+00 6.555129127e+00 2.16 5.693576703e+00 5.693576703e+00 2.18 4.897697892e+00 4.897697892e+00 2.20 4.163081196e+00 4.163081196e+00 2.22 3.485662963e+00 3.485662963e+00 2.24 2.861681111e+00 2.861681111e+00 2.26 2.287629099e+00 2.287629099e+00 2.28 1.760209106e+00 1.760209106e+00 2.30 1.276297449e+00 1.276297449e+00 2.32 8.329098819e-01 8.329098819e-01 2.34 4.271880755e-01 4.271880755e-01 2.36 5.639481085e-02 5.639481085e-02 2.38 -2.820769042e-01 -2.820769042e-01 2.40 -5.906904621e-01 -5.906904621e-01 2.42 -8.717545516e-01 -8.717545516e-01 2.44 -1.127419097e+00 -1.127419097e+00 2.46 -1.359678170e+00 -1.359678170e+00 2.48 -1.570376917e+00 -1.570376917e+00 2.50 -1.761217645e+00 -1.761217645e+00 2.52 -1.933761937e+00 -1.933761937e+00 2.54 -2.089429509e+00 -2.089429509e+00 2.56 -2.229497966e+00 -2.229497966e+00 2.58 -2.355108322e+00 -2.355108322e+00 2.60 -2.467298999e+00 -2.467298999e+00 2.62 -2.567538340e+00 -2.567538340e+00 2.64 -2.656655964e+00 -2.656655964e+00 2.66 -2.735326594e+00 -2.735326594e+00 2.68 -2.804001324e+00 -2.804001324e+00 2.70 -2.862977653e+00 -2.862977653e+00 2.72 -2.912609236e+00 -2.912609236e+00 2.74 -2.953289107e+00 -2.953289107e+00 2.76 -2.985433506e+00 -2.985433506e+00 2.78 -3.009478872e+00 -3.009478872e+00 2.80 -3.025927863e+00 -3.025927863e+00 2.82 -3.035300431e+00 -3.035300431e+00 2.84 -3.038120276e+00 -3.038120276e+00 2.86 -3.034903032e+00 -3.034903032e+00 2.88 -3.026160728e+00 -3.026160728e+00 2.90 -3.012408105e+00 -3.012408105e+00 2.92 -2.994162579e+00 -2.994162579e+00 2.94 -2.971937200e+00 -2.971937200e+00 2.96 -2.946228235e+00 -2.946228235e+00 2.98 -2.917500745e+00 -2.917500745e+00 3.00 -2.886176151e+00 -2.886176151e+00 3.02 -2.852624791e+00 -2.852624791e+00 3.04 -2.817164026e+00 -2.817164026e+00 3.06 -2.780064853e+00 -2.780064853e+00 3.08 -2.741555276e+00 -2.741555276e+00 3.10 -2.701844357e+00 -2.701844357e+00 3.12 -2.661125757e+00 -2.661125757e+00 3.14 -2.619524705e+00 -2.619524705e+00 3.16 -2.577154235e+00 -2.577154235e+00 3.18 -2.534123561e+00 -2.534123561e+00 3.20 -2.490536606e+00 -2.490536606e+00 3.22 -2.446490556e+00 -2.446490556e+00 3.24 -2.402074256e+00 -2.402074256e+00 3.26 -2.357367015e+00 -2.357367015e+00 3.28 -2.312435016e+00 -2.312435016e+00 3.30 -2.267329072e+00 -2.267329072e+00 3.32 -2.222095060e+00 -2.222095060e+00 3.34 -2.176776922e+00 -2.176776922e+00 3.36 -2.131418655e+00 -2.131418655e+00 3.38 -2.086065785e+00 -2.086065785e+00 3.40 -2.040765933e+00 -2.040765933e+00 3.42 -1.995569412e+00 -1.995569412e+00 3.44 -1.950527428e+00 -1.950527428e+00 3.46 -1.905691619e+00 -1.905691619e+00 3.48 -1.861112437e+00 -1.861112437e+00 3.50 -1.816837717e+00 -1.816837717e+00 3.52 -1.772911422e+00 -1.772911422e+00 3.54 -1.729372677e+00 -1.729372677e+00 3.56 -1.686255156e+00 -1.686255156e+00 3.58 -1.643586859e+00 -1.643586859e+00 3.60 -1.601390265e+00 -1.601390265e+00 3.62 -1.559682851e+00 -1.559682851e+00 3.64 -1.518477913e+00 -1.518477913e+00 3.66 -1.477785644e+00 -1.477785644e+00 3.68 -1.437614357e+00 -1.437614357e+00 3.70 -1.397971779e+00 -1.397971779e+00 3.72 -1.358866281e+00 -1.358866281e+00 3.74 -1.320307946e+00 -1.320307946e+00 3.76 -1.282309348e+00 -1.282309348e+00 3.78 -1.244885962e+00 -1.244885962e+00 3.80 -1.208056133e+00 -1.208056133e+00 3.82 -1.171840565e+00 -1.171840565e+00 3.84 -1.136261368e+00 -1.136261368e+00 3.86 -1.101340736e+00 -1.101340736e+00 3.88 -1.067099427e+00 -1.067099427e+00 3.90 -1.033555277e+00 -1.033555277e+00 3.92 -1.000721658e+00 -1.000721658e+00 3.94 -9.686081681e-01 -9.686081681e-01 3.96 -9.372183627e-01 -9.372183627e-01 3.98 -9.065518865e-01 -9.065518865e-01 4.00 -8.766051845e-01 -8.766051845e-01 4.02 -8.473729460e-01 -8.473729460e-01 4.04 -8.188496012e-01 -8.188496012e-01 4.06 -7.910305910e-01 -7.910305910e-01 4.08 -7.639131813e-01 -7.639131813e-01 4.10 -7.374956966e-01 -7.374956966e-01 4.12 -7.117811594e-01 -7.117811594e-01 4.14 -6.867698722e-01 -6.867698722e-01 4.16 -6.624625345e-01 -6.624625345e-01 4.18 -6.388575319e-01 -6.388575319e-01 4.20 -6.159495694e-01 -6.159495694e-01 4.22 -5.937287019e-01 -5.937287019e-01 4.24 -5.721799312e-01 -5.721799312e-01 4.26 -5.512834298e-01 -5.512834298e-01 4.28 -5.310153401e-01 -5.310153401e-01 4.30 -5.113490063e-01 -5.113490063e-01 4.32 -4.922564392e-01 -4.922564392e-01 4.34 -4.737097968e-01 -4.737097968e-01 4.36 -4.556826800e-01 -4.556826800e-01 4.38 -4.381510915e-01 -4.381510915e-01 4.40 -4.210939639e-01 -4.210939639e-01 4.42 -4.044932356e-01 -4.044932356e-01 4.44 -3.883335223e-01 -3.883335223e-01 4.46 -3.726014890e-01 -3.726014890e-01 4.48 -3.572850713e-01 -3.572850713e-01 4.50 -3.423727118e-01 -3.423727118e-01 4.52 -3.278527681e-01 -3.278527681e-01 4.54 -3.137132142e-01 -3.137132142e-01 4.56 -2.999417024e-01 -2.999417024e-01 4.58 -2.865259924e-01 -2.865259924e-01 4.60 -2.734546914e-01 -2.734546914e-01 4.62 -2.607181992e-01 -2.607181992e-01 4.64 -2.483097233e-01 -2.483097233e-01 4.66 -2.362262103e-01 -2.362262103e-01 4.68 -2.244690506e-01 -2.244690506e-01 4.70 -2.130444331e-01 -2.130444331e-01 4.72 -2.019632665e-01 -2.019632665e-01 4.74 -1.912406323e-01 -1.912406323e-01 4.76 -1.808947906e-01 -1.808947906e-01 4.78 -1.709458180e-01 -1.709458180e-01 4.80 -1.614132295e-01 -1.614132295e-01 4.82 -1.523175128e-01 -1.523175128e-01 4.84 -1.436735036e-01 -1.436735036e-01 4.86 -1.354925470e-01 -1.354925470e-01 4.88 -1.277806036e-01 -1.277806036e-01 4.90 -1.205377102e-01 -1.205377102e-01 4.92 -1.137579021e-01 -1.137579021e-01 4.94 -1.074295461e-01 -1.074295461e-01 4.96 -1.015360007e-01 -1.015360007e-01 4.98 -9.605650364e-02 -9.605650364e-02 5.00 -9.096718853e-02 -9.096718853e-02 5.02 -8.624212692e-02 -8.624212692e-02 5.04 -8.185386610e-02 -8.185386610e-02 5.06 -7.777505361e-02 -7.777505361e-02 5.08 -7.397956448e-02 -7.397956448e-02 5.10 -7.044215764e-02 -7.044215764e-02 5.12 -6.713900703e-02 -6.713900703e-02 5.14 -6.404806269e-02 -6.404806269e-02 5.16 -6.114926223e-02 -6.114926223e-02 5.18 -5.842461929e-02 -5.842461929e-02 5.20 -5.585821454e-02 -5.585821454e-02 5.22 -5.343611077e-02 -5.343611077e-02 5.24 -5.114621146e-02 -5.114621146e-02 5.26 -4.897807947e-02 -4.897807947e-02 5.28 -4.692273060e-02 -4.692273060e-02 5.30 -4.497237933e-02 -4.497237933e-02 5.32 -4.312022155e-02 -4.312022155e-02 5.34 -4.136037791e-02 -4.136037791e-02 5.36 -3.968757674e-02 -3.968757674e-02 5.38 -3.809698324e-02 -3.809698324e-02 5.40 -3.658406626e-02 -3.658406626e-02 5.42 -3.514449545e-02 -3.514449545e-02 5.44 -3.377406854e-02 -3.377406854e-02 5.46 -3.246866594e-02 -3.246866594e-02 5.48 -3.122422857e-02 -3.122422857e-02 5.50 -3.003675392e-02 -3.003675392e-02 5.52 -2.890230495e-02 -2.890230495e-02 5.54 -2.781702704e-02 -2.781702704e-02 5.56 -2.677716877e-02 -2.677716877e-02 5.58 -2.577910325e-02 -2.577910325e-02 5.60 -2.481934788e-02 -2.481934788e-02 5.62 -2.389458102e-02 -2.389458102e-02 5.64 -2.300165628e-02 -2.300165628e-02 5.66 -2.213761182e-02 -2.213761182e-02 5.68 -2.129967752e-02 -2.129967752e-02 5.70 -2.048527990e-02 -2.048527990e-02 5.72 -1.969204571e-02 -1.969204571e-02 5.74 -1.891780510e-02 -1.891780510e-02 5.76 -1.816059479e-02 -1.816059479e-02 5.78 -1.741866210e-02 -1.741866210e-02 5.80 -1.669046997e-02 -1.669046997e-02 5.82 -1.597470314e-02 -1.597470314e-02 5.84 -1.527027537e-02 -1.527027537e-02 5.86 -1.457633724e-02 -1.457633724e-02 5.88 -1.389228390e-02 -1.389228390e-02 5.90 -1.321776173e-02 -1.321776173e-02 5.92 -1.255267293e-02 -1.255267293e-02 5.94 -1.189716937e-02 -1.189716937e-02 5.96 -1.125162256e-02 -1.125162256e-02 5.98 -1.061669159e-02 -1.061669159e-02 6.00 -9.993270193e-03 -9.993270193e-03