# 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 = Pb2PdZr # 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 4.663313391e+02 4.663313391e+02 1.30 4.363320723e+02 4.363320723e+02 1.32 4.083896739e+02 4.083896739e+02 1.34 3.823437858e+02 3.823437858e+02 1.36 3.580474929e+02 3.580474929e+02 1.38 3.353667529e+02 3.353667529e+02 1.40 3.141799466e+02 3.141799466e+02 1.42 2.943775506e+02 2.943775506e+02 1.44 2.758608682e+02 2.758608682e+02 1.46 2.585396468e+02 2.585396468e+02 1.48 2.423298597e+02 2.423298597e+02 1.50 2.271528808e+02 2.271528808e+02 1.52 2.129356389e+02 2.129356389e+02 1.54 1.996107935e+02 1.996107935e+02 1.56 1.871163943e+02 1.871163943e+02 1.58 1.753952281e+02 1.753952281e+02 1.60 1.643943487e+02 1.643943487e+02 1.62 1.540648959e+02 1.540648959e+02 1.64 1.443620134e+02 1.443620134e+02 1.66 1.352446245e+02 1.352446245e+02 1.68 1.266750655e+02 1.266750655e+02 1.70 1.186184494e+02 1.186184494e+02 1.72 1.110420599e+02 1.110420599e+02 1.74 1.039149216e+02 1.039149216e+02 1.76 9.720772812e+01 9.720772812e+01 1.78 9.089299232e+01 9.089299232e+01 1.80 8.494524779e+01 8.494524779e+01 1.82 7.934148982e+01 7.934148982e+01 1.84 7.406045742e+01 7.406045742e+01 1.86 6.908622591e+01 6.908622591e+01 1.88 6.441846141e+01 6.441846141e+01 1.90 6.004366079e+01 6.004366079e+01 1.92 5.594319647e+01 5.594319647e+01 1.94 5.209948695e+01 5.209948695e+01 1.96 4.849598174e+01 4.849598174e+01 1.98 4.511715981e+01 4.511715981e+01 2.00 4.194853334e+01 4.194853334e+01 2.02 3.897662567e+01 3.897662567e+01 2.04 3.618892636e+01 3.618892636e+01 2.06 3.357383645e+01 3.357383645e+01 2.08 3.112062142e+01 3.112062142e+01 2.10 2.881935422e+01 2.881935422e+01 2.12 2.666084736e+01 2.666084736e+01 2.14 2.463657162e+01 2.463657162e+01 2.16 2.273856025e+01 2.273856025e+01 2.18 2.095932419e+01 2.095932419e+01 2.20 1.929179598e+01 1.929179598e+01 2.22 1.772929307e+01 1.772929307e+01 2.24 1.626550108e+01 1.626550108e+01 2.26 1.489446603e+01 1.489446603e+01 2.28 1.361059474e+01 1.361059474e+01 2.30 1.240863825e+01 1.240863825e+01 2.32 1.128368331e+01 1.128368331e+01 2.34 1.023111135e+01 1.023111135e+01 2.36 9.246572182e+00 9.246572182e+00 2.38 8.325952126e+00 8.325952126e+00 2.40 7.465354050e+00 7.465354050e+00 2.42 6.661085606e+00 6.661085606e+00 2.44 5.909661448e+00 5.909661448e+00 2.46 5.207804434e+00 5.207804434e+00 2.48 4.552449163e+00 4.552449163e+00 2.50 3.940739551e+00 3.940739551e+00 2.52 3.370018675e+00 3.370018675e+00 2.54 2.837811869e+00 2.837811869e+00 2.56 2.341807194e+00 2.341807194e+00 2.58 1.879837139e+00 1.879837139e+00 2.60 1.449812712e+00 1.449812712e+00 2.62 1.049842024e+00 1.049842024e+00 2.64 6.781855398e-01 6.781855398e-01 2.66 3.331978026e-01 3.331978026e-01 2.68 1.332004043e-02 1.332004043e-02 2.70 -2.829260417e-01 -2.829260417e-01 2.72 -5.569440811e-01 -5.569440811e-01 2.74 -8.100671588e-01 -8.100671588e-01 2.76 -1.043545092e+00 -1.043545092e+00 2.78 -1.258458181e+00 -1.258458181e+00 2.80 -1.455807223e+00 -1.455807223e+00 2.82 -1.636553831e+00 -1.636553831e+00 2.84 -1.801626693e+00 -1.801626693e+00 2.86 -1.951920165e+00 -1.951920165e+00 2.88 -2.088295954e+00 -2.088295954e+00 2.90 -2.211584682e+00 -2.211584682e+00 2.92 -2.322614675e+00 -2.322614675e+00 2.94 -2.422422123e+00 -2.422422123e+00 2.96 -2.511688069e+00 -2.511688069e+00 2.98 -2.590980212e+00 -2.590980212e+00 3.00 -2.660849316e+00 -2.660849316e+00 3.02 -2.721825743e+00 -2.721825743e+00 3.04 -2.774416011e+00 -2.774416011e+00 3.06 -2.819113565e+00 -2.819113565e+00 3.08 -2.856386327e+00 -2.856386327e+00 3.10 -2.886693177e+00 -2.886693177e+00 3.12 -2.910504026e+00 -2.910504026e+00 3.14 -2.928301446e+00 -2.928301446e+00 3.16 -2.940547853e+00 -2.940547853e+00 3.18 -2.947693614e+00 -2.947693614e+00 3.20 -2.950171589e+00 -2.950171589e+00 3.22 -2.948392732e+00 -2.948392732e+00 3.24 -2.942741771e+00 -2.942741771e+00 3.26 -2.933574369e+00 -2.933574369e+00 3.28 -2.921216446e+00 -2.921216446e+00 3.30 -2.905965470e+00 -2.905965470e+00 3.32 -2.888092850e+00 -2.888092850e+00 3.34 -2.867846445e+00 -2.867846445e+00 3.36 -2.845452574e+00 -2.845452574e+00 3.38 -2.821117438e+00 -2.821117438e+00 3.40 -2.795027178e+00 -2.795027178e+00 3.42 -2.767353757e+00 -2.767353757e+00 3.44 -2.738249129e+00 -2.738249129e+00 3.46 -2.707852204e+00 -2.707852204e+00 3.48 -2.676289218e+00 -2.676289218e+00 3.50 -2.643677511e+00 -2.643677511e+00 3.52 -2.610174780e+00 -2.610174780e+00 3.54 -2.575859848e+00 -2.575859848e+00 3.56 -2.540776583e+00 -2.540776583e+00 3.58 -2.504971074e+00 -2.504971074e+00 3.60 -2.468490683e+00 -2.468490683e+00 3.62 -2.431383483e+00 -2.431383483e+00 3.64 -2.393698056e+00 -2.393698056e+00 3.66 -2.355483615e+00 -2.355483615e+00 3.68 -2.316790402e+00 -2.316790402e+00 3.70 -2.277668734e+00 -2.277668734e+00 3.72 -2.238161072e+00 -2.238161072e+00 3.74 -2.198309057e+00 -2.198309057e+00 3.76 -2.158161032e+00 -2.158161032e+00 3.78 -2.117772061e+00 -2.117772061e+00 3.80 -2.077203844e+00 -2.077203844e+00 3.82 -2.036524261e+00 -2.036524261e+00 3.84 -1.995806401e+00 -1.995806401e+00 3.86 -1.955126949e+00 -1.955126949e+00 3.88 -1.914563914e+00 -1.914563914e+00 3.90 -1.874193859e+00 -1.874193859e+00 3.92 -1.834087181e+00 -1.834087181e+00 3.94 -1.794312963e+00 -1.794312963e+00 3.96 -1.754925296e+00 -1.754925296e+00 3.98 -1.715970800e+00 -1.715970800e+00 4.00 -1.677486759e+00 -1.677486759e+00 4.02 -1.639502408e+00 -1.639502408e+00 4.04 -1.602040801e+00 -1.602040801e+00 4.06 -1.565120817e+00 -1.565120817e+00 4.08 -1.528758904e+00 -1.528758904e+00 4.10 -1.492964613e+00 -1.492964613e+00 4.12 -1.457764921e+00 -1.457764921e+00 4.14 -1.423166732e+00 -1.423166732e+00 4.16 -1.389182542e+00 -1.389182542e+00 4.18 -1.355822581e+00 -1.355822581e+00 4.20 -1.323093855e+00 -1.323093855e+00 4.22 -1.290999333e+00 -1.290999333e+00 4.24 -1.259537449e+00 -1.259537449e+00 4.26 -1.228701986e+00 -1.228701986e+00 4.28 -1.198482357e+00 -1.198482357e+00 4.30 -1.168864203e+00 -1.168864203e+00 4.32 -1.139830216e+00 -1.139830216e+00 4.34 -1.111361060e+00 -1.111361060e+00 4.36 -1.083436291e+00 -1.083436291e+00 4.38 -1.056035188e+00 -1.056035188e+00 4.40 -1.029137443e+00 -1.029137443e+00 4.42 -1.002723696e+00 -1.002723696e+00 4.44 -9.767759040e-01 -9.767759040e-01 4.46 -9.512775872e-01 -9.512775872e-01 4.48 -9.262139614e-01 -9.262139614e-01 4.50 -9.015720113e-01 -9.015720113e-01 4.52 -8.773405308e-01 -8.773405308e-01 4.54 -8.535101625e-01 -8.535101625e-01 4.56 -8.300734588e-01 -8.300734588e-01 4.58 -8.070249728e-01 -8.070249728e-01 4.60 -7.843613813e-01 -7.843613813e-01 4.62 -7.620816230e-01 -7.620816230e-01 4.64 -7.401870285e-01 -7.401870285e-01 4.66 -7.186814076e-01 -7.186814076e-01 4.68 -6.975710526e-01 -6.975710526e-01 4.70 -6.768646191e-01 -6.768646191e-01 4.72 -6.565728518e-01 -6.565728518e-01 4.74 -6.367081368e-01 -6.367081368e-01 4.76 -6.172838841e-01 -6.172838841e-01 4.78 -5.983137680e-01 -5.983137680e-01 4.80 -5.798064747e-01 -5.798064747e-01 4.82 -5.617831632e-01 -5.617831632e-01 4.84 -5.442479377e-01 -5.442479377e-01 4.86 -5.272072157e-01 -5.272072157e-01 4.88 -5.106639598e-01 -5.106639598e-01 4.90 -4.946174136e-01 -4.946174136e-01 4.92 -4.790630746e-01 -4.790630746e-01 4.94 -4.639928878e-01 -4.639928878e-01 4.96 -4.493956213e-01 -4.493956213e-01 4.98 -4.352573766e-01 -4.352573766e-01 5.00 -4.215621785e-01 -4.215621785e-01 5.02 -4.082925943e-01 -4.082925943e-01 5.04 -3.954303427e-01 -3.954303427e-01 5.06 -3.829568580e-01 -3.829568580e-01 5.08 -3.708537914e-01 -3.708537914e-01 5.10 -3.591034361e-01 -3.591034361e-01 5.12 -3.476890722e-01 -3.476890722e-01 5.14 -3.365952313e-01 -3.365952313e-01 5.16 -3.258078837e-01 -3.258078837e-01 5.18 -3.153145514e-01 -3.153145514e-01 5.20 -3.051043535e-01 -3.051043535e-01 5.22 -2.951679883e-01 -2.951679883e-01 5.24 -2.854976608e-01 -2.854976608e-01 5.26 -2.760869628e-01 -2.760869628e-01 5.28 -2.669307169e-01 -2.669307169e-01 5.30 -2.580247961e-01 -2.580247961e-01 5.32 -2.493659306e-01 -2.493659306e-01 5.34 -2.409515140e-01 -2.409515140e-01 5.36 -2.327794175e-01 -2.327794175e-01 5.38 -2.248478172e-01 -2.248478172e-01 5.40 -2.171550363e-01 -2.171550363e-01 5.42 -2.096993998e-01 -2.096993998e-01 5.44 -2.024790958e-01 -2.024790958e-01 5.46 -1.954920406e-01 -1.954920406e-01 5.48 -1.887357428e-01 -1.887357428e-01 5.50 -1.822071683e-01 -1.822071683e-01 5.52 -1.759026121e-01 -1.759026121e-01 5.54 -1.698175857e-01 -1.698175857e-01 5.56 -1.639467314e-01 -1.639467314e-01 5.58 -1.582837747e-01 -1.582837747e-01 5.60 -1.528215218e-01 -1.528215218e-01 5.62 -1.475519057e-01 -1.475519057e-01 5.64 -1.424660780e-01 -1.424660780e-01 5.66 -1.375545392e-01 -1.375545392e-01 5.68 -1.328072968e-01 -1.328072968e-01 5.70 -1.282140388e-01 -1.282140388e-01 5.72 -1.237643119e-01 -1.237643119e-01 5.74 -1.194476928e-01 -1.194476928e-01 5.76 -1.152539466e-01 -1.152539466e-01 5.78 -1.111731675e-01 -1.111731675e-01 5.80 -1.071958996e-01 -1.071958996e-01 5.82 -1.033132391e-01 -1.033132391e-01 5.84 -9.951691623e-02 -9.951691623e-02 5.86 -9.579936311e-02 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