# 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 = CuPb2Pd # 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 3.151642967e+02 3.151642967e+02 1.30 2.937982560e+02 2.937982560e+02 1.32 2.739359977e+02 2.739359977e+02 1.34 2.554630600e+02 2.554630600e+02 1.36 2.382706364e+02 2.382706364e+02 1.38 2.222565108e+02 2.222565108e+02 1.40 2.073271358e+02 2.073271358e+02 1.42 1.933987493e+02 1.933987493e+02 1.44 1.803967442e+02 1.803967442e+02 1.46 1.682540606e+02 1.682540606e+02 1.48 1.569096496e+02 1.569096496e+02 1.50 1.463072878e+02 1.463072878e+02 1.52 1.363945902e+02 1.363945902e+02 1.54 1.271223851e+02 1.271223851e+02 1.56 1.184445693e+02 1.184445693e+02 1.58 1.103183471e+02 1.103183471e+02 1.60 1.027044833e+02 1.027044833e+02 1.62 9.556733355e+01 9.556733355e+01 1.64 8.887456517e+01 8.887456517e+01 1.66 8.259679073e+01 8.259679073e+01 1.68 7.671724541e+01 7.671724541e+01 1.70 7.123359234e+01 7.123359234e+01 1.72 6.612110023e+01 6.612110023e+01 1.74 6.135554300e+01 6.135554300e+01 1.76 5.691401725e+01 5.691401725e+01 1.78 5.277466839e+01 5.277466839e+01 1.80 4.891656449e+01 4.891656449e+01 1.82 4.531972193e+01 4.531972193e+01 1.84 4.196526295e+01 4.196526295e+01 1.86 3.883561286e+01 3.883561286e+01 1.88 3.591466208e+01 3.591466208e+01 1.90 3.318779353e+01 3.318779353e+01 1.92 3.064176198e+01 3.064176198e+01 1.94 2.826450616e+01 2.826450616e+01 1.96 2.604494466e+01 2.604494466e+01 1.98 2.397282047e+01 2.397282047e+01 2.00 2.203858682e+01 2.203858682e+01 2.02 2.023332296e+01 2.023332296e+01 2.04 1.854866724e+01 1.854866724e+01 2.06 1.697677205e+01 1.697677205e+01 2.08 1.551028397e+01 1.551028397e+01 2.10 1.414233229e+01 1.414233229e+01 2.12 1.286652748e+01 1.286652748e+01 2.14 1.167694249e+01 1.167694249e+01 2.16 1.056808303e+01 1.056808303e+01 2.18 9.534848859e+00 9.534848859e+00 2.20 8.572489464e+00 8.572489464e+00 2.22 7.676569248e+00 7.676569248e+00 2.24 6.842940023e+00 6.842940023e+00 2.26 6.067720793e+00 6.067720793e+00 2.28 5.347280198e+00 5.347280198e+00 2.30 4.678210724e+00 4.678210724e+00 2.32 4.057294509e+00 4.057294509e+00 2.34 3.481477291e+00 3.481477291e+00 2.36 2.947835460e+00 2.947835460e+00 2.38 2.453564171e+00 2.453564171e+00 2.40 1.995979957e+00 1.995979957e+00 2.42 1.572536041e+00 1.572536041e+00 2.44 1.180841751e+00 1.180841751e+00 2.46 8.186788612e-01 8.186788612e-01 2.48 4.840081010e-01 4.840081010e-01 2.50 1.749647488e-01 1.749647488e-01 2.52 -1.101543602e-01 -1.101543602e-01 2.54 -3.729080921e-01 -3.729080921e-01 2.56 -6.147287702e-01 -6.147287702e-01 2.58 -8.369386390e-01 -8.369386390e-01 2.60 -1.040765010e+00 -1.040765010e+00 2.62 -1.227353590e+00 -1.227353590e+00 2.64 -1.397786376e+00 -1.397786376e+00 2.66 -1.553086556e+00 -1.553086556e+00 2.68 -1.694356081e+00 -1.694356081e+00 2.70 -1.822750803e+00 -1.822750803e+00 2.72 -1.939226147e+00 -1.939226147e+00 2.74 -2.044388705e+00 -2.044388705e+00 2.76 -2.138766523e+00 -2.138766523e+00 2.78 -2.222887958e+00 -2.222887958e+00 2.80 -2.297274389e+00 -2.297274389e+00 2.82 -2.362433818e+00 -2.362433818e+00 2.84 -2.418862709e+00 -2.418862709e+00 2.86 -2.467058846e+00 -2.467058846e+00 2.88 -2.507547289e+00 -2.507547289e+00 2.90 -2.540865414e+00 -2.540865414e+00 2.92 -2.567544109e+00 -2.567544109e+00 2.94 -2.588098020e+00 -2.588098020e+00 2.96 -2.603021294e+00 -2.603021294e+00 2.98 -2.612782115e+00 -2.612782115e+00 3.00 -2.617817877e+00 -2.617817877e+00 3.02 -2.618532529e+00 -2.618532529e+00 3.04 -2.615296082e+00 -2.615296082e+00 3.06 -2.608450120e+00 -2.608450120e+00 3.08 -2.598307609e+00 -2.598307609e+00 3.10 -2.585160875e+00 -2.585160875e+00 3.12 -2.569283826e+00 -2.569283826e+00 3.14 -2.550952728e+00 -2.550952728e+00 3.16 -2.530473934e+00 -2.530473934e+00 3.18 -2.508033732e+00 -2.508033732e+00 3.20 -2.483798493e+00 -2.483798493e+00 3.22 -2.457930572e+00 -2.457930572e+00 3.24 -2.430582835e+00 -2.430582835e+00 3.26 -2.401894449e+00 -2.401894449e+00 3.28 -2.371988749e+00 -2.371988749e+00 3.30 -2.340973406e+00 -2.340973406e+00 3.32 -2.308939400e+00 -2.308939400e+00 3.34 -2.275953256e+00 -2.275953256e+00 3.36 -2.242073752e+00 -2.242073752e+00 3.38 -2.207360966e+00 -2.207360966e+00 3.40 -2.171877593e+00 -2.171877593e+00 3.42 -2.135690910e+00 -2.135690910e+00 3.44 -2.098870574e+00 -2.098870574e+00 3.46 -2.061489020e+00 -2.061489020e+00 3.48 -2.023619666e+00 -2.023619666e+00 3.50 -1.985335351e+00 -1.985335351e+00 3.52 -1.946706888e+00 -1.946706888e+00 3.54 -1.907801911e+00 -1.907801911e+00 3.56 -1.868684153e+00 -1.868684153e+00 3.58 -1.829413196e+00 -1.829413196e+00 3.60 -1.790044706e+00 -1.790044706e+00 3.62 -1.750631097e+00 -1.750631097e+00 3.64 -1.711222527e+00 -1.711222527e+00 3.66 -1.671868081e+00 -1.671868081e+00 3.68 -1.632616966e+00 -1.632616966e+00 3.70 -1.593519526e+00 -1.593519526e+00 3.72 -1.554627902e+00 -1.554627902e+00 3.74 -1.515996202e+00 -1.515996202e+00 3.76 -1.477680124e+00 -1.477680124e+00 3.78 -1.439736067e+00 -1.439736067e+00 3.80 -1.402219816e+00 -1.402219816e+00 3.82 -1.365184978e+00 -1.365184978e+00 3.84 -1.328681328e+00 -1.328681328e+00 3.86 -1.292753250e+00 -1.292753250e+00 3.88 -1.257438425e+00 -1.257438425e+00 3.90 -1.222766911e+00 -1.222766911e+00 3.92 -1.188759947e+00 -1.188759947e+00 3.94 -1.155433154e+00 -1.155433154e+00 3.96 -1.122792237e+00 -1.122792237e+00 3.98 -1.090837458e+00 -1.090837458e+00 4.00 -1.059564058e+00 -1.059564058e+00 4.02 -1.028963710e+00 -1.028963710e+00 4.04 -9.990259163e-01 -9.990259163e-01 4.06 -9.697391895e-01 -9.697391895e-01 4.08 -9.410918898e-01 -9.410918898e-01 4.10 -9.130707521e-01 -9.130707521e-01 4.12 -8.856689481e-01 -8.856689481e-01 4.14 -8.588731862e-01 -8.588731862e-01 4.16 -8.326720719e-01 -8.326720719e-01 4.18 -8.070532069e-01 -8.070532069e-01 4.20 -7.820027398e-01 -7.820027398e-01 4.22 -7.575051624e-01 -7.575051624e-01 4.24 -7.335434457e-01 -7.335434457e-01 4.26 -7.100995473e-01 -7.100995473e-01 4.28 -6.871552507e-01 -6.871552507e-01 4.30 -6.646932388e-01 -6.646932388e-01 4.32 -6.426982609e-01 -6.426982609e-01 4.34 -6.211582301e-01 -6.211582301e-01 4.36 -6.000650911e-01 -6.000650911e-01 4.38 -5.794153205e-01 -5.794153205e-01 4.40 -5.592099683e-01 -5.592099683e-01 4.42 -5.394542042e-01 -5.394542042e-01 4.44 -5.201564059e-01 -5.201564059e-01 4.46 -5.013268903e-01 -5.013268903e-01 4.48 -4.829764500e-01 -4.829764500e-01 4.50 -4.651148846e-01 -4.651148846e-01 4.52 -4.477497235e-01 -4.477497235e-01 4.54 -4.308853011e-01 -4.308853011e-01 4.56 -4.145222879e-01 -4.145222879e-01 4.58 -3.986577100e-01 -3.986577100e-01 4.60 -3.832854146e-01 -3.832854146e-01 4.62 -3.683968815e-01 -3.683968815e-01 4.64 -3.539822397e-01 -3.539822397e-01 4.66 -3.400313365e-01 -3.400313365e-01 4.68 -3.265347115e-01 -3.265347115e-01 4.70 -3.134843534e-01 -3.134843534e-01 4.72 -3.008741542e-01 -3.008741542e-01 4.74 -2.887000203e-01 -2.887000203e-01 4.76 -2.769596435e-01 -2.769596435e-01 4.78 -2.656519788e-01 -2.656519788e-01 4.80 -2.547749800e-01 -2.547749800e-01 4.82 -2.443311168e-01 -2.443311168e-01 4.84 -2.343165929e-01 -2.343165929e-01 4.86 -2.247275387e-01 -2.247275387e-01 4.88 -2.155576443e-01 -2.155576443e-01 4.90 -2.067978474e-01 -2.067978474e-01 4.92 -1.984362703e-01 -1.984362703e-01 4.94 -1.904583914e-01 -1.904583914e-01 4.96 -1.828474095e-01 -1.828474095e-01 4.98 -1.755847464e-01 -1.755847464e-01 5.00 -1.686506293e-01 -1.686506293e-01 5.02 -1.620246941e-01 -1.620246941e-01 5.04 -1.556865720e-01 -1.556865720e-01 5.06 -1.496164227e-01 -1.496164227e-01 5.08 -1.437953916e-01 -1.437953916e-01 5.10 -1.382059788e-01 -1.382059788e-01 5.12 -1.328323196e-01 -1.328323196e-01 5.14 -1.276603704e-01 -1.276603704e-01 5.16 -1.226780077e-01 -1.226780077e-01 5.18 -1.178750456e-01 -1.178750456e-01 5.20 -1.132431734e-01 -1.132431734e-01 5.22 -1.087758233e-01 -1.087758233e-01 5.24 -1.044679729e-01 -1.044679729e-01 5.26 -1.003158955e-01 -1.003158955e-01 5.28 -9.631677253e-02 -9.631677253e-02 5.30 -9.246793348e-02 -9.246793348e-02 5.32 -8.876792171e-02 -8.876792171e-02 5.34 -8.521546117e-02 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-2.977118789e-02 -2.977118789e-02 5.88 -2.837093445e-02 -2.837093445e-02 5.90 -2.699096424e-02 -2.699096424e-02 5.92 -2.563094140e-02 -2.563094140e-02 5.94 -2.429107081e-02 -2.429107081e-02 5.96 -2.297208925e-02 -2.297208925e-02 5.98 -2.167524524e-02 -2.167524524e-02 6.00 -2.040226274e-02 -2.040226274e-02