# 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 = AgPbZr2 # 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 4.373455629e+02 4.373455629e+02 1.30 4.085009871e+02 4.085009871e+02 1.32 3.816730132e+02 3.816730132e+02 1.34 3.567034949e+02 3.567034949e+02 1.36 3.334474434e+02 3.334474434e+02 1.38 3.117730165e+02 3.117730165e+02 1.40 2.915609849e+02 2.915609849e+02 1.42 2.727036320e+02 2.727036320e+02 1.44 2.551031930e+02 2.551031930e+02 1.46 2.386698368e+02 2.386698368e+02 1.48 2.233199524e+02 2.233199524e+02 1.50 2.089755803e+02 2.089755803e+02 1.52 1.955647283e+02 1.955647283e+02 1.54 1.830214036e+02 1.830214036e+02 1.56 1.712851135e+02 1.712851135e+02 1.58 1.603000292e+02 1.603000292e+02 1.60 1.500143491e+02 1.500143491e+02 1.62 1.403799295e+02 1.403799295e+02 1.64 1.313521950e+02 1.313521950e+02 1.66 1.228900151e+02 1.228900151e+02 1.68 1.149555018e+02 1.149555018e+02 1.70 1.075137203e+02 1.075137203e+02 1.72 1.005322666e+02 1.005322666e+02 1.74 9.398086970e+01 9.398086970e+01 1.76 8.783113826e+01 8.783113826e+01 1.78 8.205649682e+01 8.205649682e+01 1.80 7.663221445e+01 7.663221445e+01 1.82 7.153539505e+01 7.153539505e+01 1.84 6.674493361e+01 6.674493361e+01 1.86 6.224145677e+01 6.224145677e+01 1.88 5.800717125e+01 5.800717125e+01 1.90 5.402564685e+01 5.402564685e+01 1.92 5.028229006e+01 5.028229006e+01 1.94 4.676319686e+01 4.676319686e+01 1.96 4.345480999e+01 4.345480999e+01 1.98 4.034667306e+01 4.034667306e+01 2.00 3.743100582e+01 3.743100582e+01 2.02 3.469612381e+01 3.469612381e+01 2.04 3.213084210e+01 3.213084210e+01 2.06 2.972467306e+01 2.972467306e+01 2.08 2.746779821e+01 2.746779821e+01 2.10 2.535106068e+01 2.535106068e+01 2.12 2.336591726e+01 2.336591726e+01 2.14 2.150439353e+01 2.150439353e+01 2.16 1.975902698e+01 1.975902698e+01 2.18 1.812280688e+01 1.812280688e+01 2.20 1.658913989e+01 1.658913989e+01 2.22 1.515180951e+01 1.515180951e+01 2.24 1.380495839e+01 1.380495839e+01 2.26 1.254308648e+01 1.254308648e+01 2.28 1.136104019e+01 1.136104019e+01 2.30 1.025403529e+01 1.025403529e+01 2.32 9.217620406e+00 9.217620406e+00 2.34 8.247644707e+00 8.247644707e+00 2.36 7.340211441e+00 7.340211441e+00 2.38 6.491634424e+00 6.491634424e+00 2.40 5.698406104e+00 5.698406104e+00 2.42 4.957172613e+00 4.957172613e+00 2.44 4.264734529e+00 4.264734529e+00 2.46 3.618046809e+00 3.618046809e+00 2.48 3.014234838e+00 3.014234838e+00 2.50 2.450609802e+00 2.450609802e+00 2.52 1.924675508e+00 1.924675508e+00 2.54 1.434121578e+00 1.434121578e+00 2.56 9.768054517e-01 9.768054517e-01 2.58 5.507303307e-01 5.507303307e-01 2.60 1.540256895e-01 1.540256895e-01 2.62 -2.150655734e-01 -2.150655734e-01 2.64 -5.582006413e-01 -5.582006413e-01 2.66 -8.769349384e-01 -8.769349384e-01 2.68 -1.172732345e+00 -1.172732345e+00 2.70 -1.446969075e+00 -1.446969075e+00 2.72 -1.700967412e+00 -1.700967412e+00 2.74 -1.936043397e+00 -1.936043397e+00 2.76 -2.153243974e+00 -2.153243974e+00 2.78 -2.353545546e+00 -2.353545546e+00 2.80 -2.537889670e+00 -2.537889670e+00 2.82 -2.707161945e+00 -2.707161945e+00 2.84 -2.862203741e+00 -2.862203741e+00 2.86 -3.003810233e+00 -3.003810233e+00 2.88 -3.132733970e+00 -3.132733970e+00 2.90 -3.249632480e+00 -3.249632480e+00 2.92 -3.354941001e+00 -3.354941001e+00 2.94 -3.449072202e+00 -3.449072202e+00 2.96 -3.532464426e+00 -3.532464426e+00 2.98 -3.605575547e+00 -3.605575547e+00 3.00 -3.668877436e+00 -3.668877436e+00 3.02 -3.722851033e+00 -3.722851033e+00 3.04 -3.767977797e+00 -3.767977797e+00 3.06 -3.804754235e+00 -3.804754235e+00 3.08 -3.833660494e+00 -3.833660494e+00 3.10 -3.855179187e+00 -3.855179187e+00 3.12 -3.869786438e+00 -3.869786438e+00 3.14 -3.877961566e+00 -3.877961566e+00 3.16 -3.880169408e+00 -3.880169408e+00 3.18 -3.876869810e+00 -3.876869810e+00 3.20 -3.868511049e+00 -3.868511049e+00 3.22 -3.855525878e+00 -3.855525878e+00 3.24 -3.838328120e+00 -3.838328120e+00 3.26 -3.817310683e+00 -3.817310683e+00 3.28 -3.792845073e+00 -3.792845073e+00 3.30 -3.765281636e+00 -3.765281636e+00 3.32 -3.734949365e+00 -3.734949365e+00 3.34 -3.702154556e+00 -3.702154556e+00 3.36 -3.667182750e+00 -3.667182750e+00 3.38 -3.630359332e+00 -3.630359332e+00 3.40 -3.591879720e+00 -3.591879720e+00 3.42 -3.551885642e+00 -3.551885642e+00 3.44 -3.510500310e+00 -3.510500310e+00 3.46 -3.467837877e+00 -3.467837877e+00 3.48 -3.424003315e+00 -3.424003315e+00 3.50 -3.379094374e+00 -3.379094374e+00 3.52 -3.333203088e+00 -3.333203088e+00 3.54 -3.286416681e+00 -3.286416681e+00 3.56 -3.238818013e+00 -3.238818013e+00 3.58 -3.190487649e+00 -3.190487649e+00 3.60 -3.141503951e+00 -3.141503951e+00 3.62 -3.091939813e+00 -3.091939813e+00 3.64 -3.041862636e+00 -3.041862636e+00 3.66 -2.991334787e+00 -2.991334787e+00 3.68 -2.940414450e+00 -2.940414450e+00 3.70 -2.889166463e+00 -2.889166463e+00 3.72 -2.837663071e+00 -2.837663071e+00 3.74 -2.785940242e+00 -2.785940242e+00 3.76 -2.734039283e+00 -2.734039283e+00 3.78 -2.682011468e+00 -2.682011468e+00 3.80 -2.629919887e+00 -2.629919887e+00 3.82 -2.577840540e+00 -2.577840540e+00 3.84 -2.525862152e+00 -2.525862152e+00 3.86 -2.474084301e+00 -2.474084301e+00 3.88 -2.422613690e+00 -2.422613690e+00 3.90 -2.371558332e+00 -2.371558332e+00 3.92 -2.321014334e+00 -2.321014334e+00 3.94 -2.271076905e+00 -2.271076905e+00 3.96 -2.221814855e+00 -2.221814855e+00 3.98 -2.173284107e+00 -2.173284107e+00 4.00 -2.125522230e+00 -2.125522230e+00 4.02 -2.078549461e+00 -2.078549461e+00 4.04 -2.032371199e+00 -2.032371199e+00 4.06 -1.986981301e+00 -1.986981301e+00 4.08 -1.942365554e+00 -1.942365554e+00 4.10 -1.898497552e+00 -1.898497552e+00 4.12 -1.855371874e+00 -1.855371874e+00 4.14 -1.812958055e+00 -1.812958055e+00 4.16 -1.771235746e+00 -1.771235746e+00 4.18 -1.730186717e+00 -1.730186717e+00 4.20 -1.689795411e+00 -1.689795411e+00 4.22 -1.650049236e+00 -1.650049236e+00 4.24 -1.610938637e+00 -1.610938637e+00 4.26 -1.572457041e+00 -1.572457041e+00 4.28 -1.534600662e+00 -1.534600662e+00 4.30 -1.497368209e+00 -1.497368209e+00 4.32 -1.460760486e+00 -1.460760486e+00 4.34 -1.424779906e+00 -1.424779906e+00 4.36 -1.389429936e+00 -1.389429936e+00 4.38 -1.354714510e+00 -1.354714510e+00 4.40 -1.320637447e+00 -1.320637447e+00 4.42 -1.287201921e+00 -1.287201921e+00 4.44 -1.254410021e+00 -1.254410021e+00 4.46 -1.222262423e+00 -1.222262423e+00 4.48 -1.190758186e+00 -1.190758186e+00 4.50 -1.159894670e+00 -1.159894670e+00 4.52 -1.129667550e+00 -1.129667550e+00 4.54 -1.100070909e+00 -1.100070909e+00 4.56 -1.071097380e+00 -1.071097380e+00 4.58 -1.042738316e+00 -1.042738316e+00 4.60 -1.014983980e+00 -1.014983980e+00 4.62 -9.878237196e-01 -9.878237196e-01 4.64 -9.612461545e-01 -9.612461545e-01 4.66 -9.352393483e-01 -9.352393483e-01 4.68 -9.097909828e-01 -9.097909828e-01 4.70 -8.848885323e-01 -8.848885323e-01 4.72 -8.605194415e-01 -8.605194415e-01 4.74 -8.366713094e-01 -8.366713094e-01 4.76 -8.133320791e-01 -8.133320791e-01 4.78 -7.904902308e-01 -7.904902308e-01 4.80 -7.681283230e-01 -7.681283230e-01 4.82 -7.462508920e-01 -7.462508920e-01 4.84 -7.248411759e-01 -7.248411759e-01 4.86 -7.038916057e-01 -7.038916057e-01 4.88 -6.833958920e-01 -6.833958920e-01 4.90 -6.633490478e-01 -6.633490478e-01 4.92 -6.437473348e-01 -6.437473348e-01 4.94 -6.245881274e-01 -6.245881274e-01 4.96 -6.058696891e-01 -6.058696891e-01 4.98 -5.875908698e-01 -5.875908698e-01 5.00 -5.697507373e-01 -5.697507373e-01 5.02 -5.523481704e-01 -5.523481704e-01 5.04 -5.353814441e-01 -5.353814441e-01 5.06 -5.188478442e-01 -5.188478442e-01 5.08 -5.027433467e-01 -5.027433467e-01 5.10 -4.870623916e-01 -4.870623916e-01 5.12 -4.717977721e-01 -4.717977721e-01 5.14 -4.569406474e-01 -4.569406474e-01 5.16 -4.424806762e-01 -4.424806762e-01 5.18 -4.284062576e-01 -4.284062576e-01 5.20 -4.147048580e-01 -4.147048580e-01 5.22 -4.013633994e-01 -4.013633994e-01 5.24 -3.883686837e-01 -3.883686837e-01 5.26 -3.757078283e-01 -3.757078283e-01 5.28 -3.633686944e-01 -3.633686944e-01 5.30 -3.513402859e-01 -3.513402859e-01 5.32 -3.396131055e-01 -3.396131055e-01 5.34 -3.281794489e-01 -3.281794489e-01 5.36 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-1.296675237e-01 5.88 -1.250307296e-01 -1.250307296e-01 5.90 -1.204995818e-01 -1.204995818e-01 5.92 -1.160630523e-01 -1.160630523e-01 5.94 -1.117111169e-01 -1.117111169e-01 5.96 -1.074347690e-01 -1.074347690e-01 5.98 -1.032259316e-01 -1.032259316e-01 6.00 -9.907763153e-02 -9.907763153e-02