# 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 = Ag2AuCu # 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 2.376549808e+02 2.376549808e+02 1.30 2.197859163e+02 2.197859163e+02 1.32 2.032684913e+02 2.032684913e+02 1.34 1.879936964e+02 1.879936964e+02 1.36 1.738610656e+02 1.738610656e+02 1.38 1.607786897e+02 1.607786897e+02 1.40 1.486626446e+02 1.486626446e+02 1.42 1.374361147e+02 1.374361147e+02 1.44 1.270286242e+02 1.270286242e+02 1.46 1.173755695e+02 1.173755695e+02 1.48 1.084180305e+02 1.084180305e+02 1.50 1.001025825e+02 1.001025825e+02 1.52 9.238080358e+01 9.238080358e+01 1.54 8.520846495e+01 8.520846495e+01 1.56 7.854469648e+01 7.854469648e+01 1.58 7.235145281e+01 7.235145281e+01 1.60 6.659338998e+01 6.659338998e+01 1.62 6.123877717e+01 6.123877717e+01 1.64 5.626906049e+01 5.626906049e+01 1.66 5.166046954e+01 5.166046954e+01 1.68 4.738942482e+01 4.738942482e+01 1.70 4.343217288e+01 4.343217288e+01 1.72 3.976673229e+01 3.976673229e+01 1.74 3.637269229e+01 3.637269229e+01 1.76 3.323085751e+01 3.323085751e+01 1.78 3.032301580e+01 3.032301580e+01 1.80 2.763190862e+01 2.763190862e+01 1.82 2.514135143e+01 2.514135143e+01 1.84 2.283636392e+01 2.283636392e+01 1.86 2.070320008e+01 2.070320008e+01 1.88 1.872926119e+01 1.872926119e+01 1.90 1.690294244e+01 1.690294244e+01 1.92 1.521348166e+01 1.521348166e+01 1.94 1.365086069e+01 1.365086069e+01 1.96 1.220577347e+01 1.220577347e+01 1.98 1.086963435e+01 1.086963435e+01 2.00 9.634579764e+00 9.634579764e+00 2.02 8.493431185e+00 8.493431185e+00 2.04 7.439619526e+00 7.439619526e+00 2.06 6.467092728e+00 6.467092728e+00 2.08 5.570230080e+00 5.570230080e+00 2.10 4.743777629e+00 4.743777629e+00 2.12 3.982807962e+00 3.982807962e+00 2.14 3.282699421e+00 3.282699421e+00 2.16 2.639126541e+00 2.639126541e+00 2.18 2.048054227e+00 2.048054227e+00 2.20 1.505730366e+00 1.505730366e+00 2.22 1.008673417e+00 1.008673417e+00 2.24 5.536533332e-01 5.536533332e-01 2.26 1.376668764e-01 1.376668764e-01 2.28 -2.420886919e-01 -2.420886919e-01 2.30 -5.882378170e-01 -5.882378170e-01 2.32 -9.032398062e-01 -9.032398062e-01 2.34 -1.189391387e+00 -1.189391387e+00 2.36 -1.448822339e+00 -1.448822339e+00 2.38 -1.683491750e+00 -1.683491750e+00 2.40 -1.895192267e+00 -1.895192267e+00 2.42 -2.085565125e+00 -2.085565125e+00 2.44 -2.256123159e+00 -2.256123159e+00 2.46 -2.408275922e+00 -2.408275922e+00 2.48 -2.543351495e+00 -2.543351495e+00 2.50 -2.662612209e+00 -2.662612209e+00 2.52 -2.767264530e+00 -2.767264530e+00 2.54 -2.858465227e+00 -2.858465227e+00 2.56 -2.937330569e+00 -2.937330569e+00 2.58 -3.005009731e+00 -3.005009731e+00 2.60 -3.062657561e+00 -3.062657561e+00 2.62 -3.111193679e+00 -3.111193679e+00 2.64 -3.151199784e+00 -3.151199784e+00 2.66 -3.183266165e+00 -3.183266165e+00 2.68 -3.207970232e+00 -3.207970232e+00 2.70 -3.225859655e+00 -3.225859655e+00 2.72 -3.237442492e+00 -3.237442492e+00 2.74 -3.243180162e+00 -3.243180162e+00 2.76 -3.243512208e+00 -3.243512208e+00 2.78 -3.238934319e+00 -3.238934319e+00 2.80 -3.229921255e+00 -3.229921255e+00 2.82 -3.216598660e+00 -3.216598660e+00 2.84 -3.199088862e+00 -3.199088862e+00 2.86 -3.177527021e+00 -3.177527021e+00 2.88 -3.152062602e+00 -3.152062602e+00 2.90 -3.122861838e+00 -3.122861838e+00 2.92 -3.090110367e+00 -3.090110367e+00 2.94 -3.054016763e+00 -3.054016763e+00 2.96 -3.014825379e+00 -3.014825379e+00 2.98 -2.972810885e+00 -2.972810885e+00 3.00 -2.928269648e+00 -2.928269648e+00 3.02 -2.881518262e+00 -2.881518262e+00 3.04 -2.832889194e+00 -2.832889194e+00 3.06 -2.782722899e+00 -2.782722899e+00 3.08 -2.731356635e+00 -2.731356635e+00 3.10 -2.679111369e+00 -2.679111369e+00 3.12 -2.626278894e+00 -2.626278894e+00 3.14 -2.573111595e+00 -2.573111595e+00 3.16 -2.519816591e+00 -2.519816591e+00 3.18 -2.466554930e+00 -2.466554930e+00 3.20 -2.413445225e+00 -2.413445225e+00 3.22 -2.360570372e+00 -2.360570372e+00 3.24 -2.307985723e+00 -2.307985723e+00 3.26 -2.255727335e+00 -2.255727335e+00 3.28 -2.203819365e+00 -2.203819365e+00 3.30 -2.152280126e+00 -2.152280126e+00 3.32 -2.101126669e+00 -2.101126669e+00 3.34 -2.050377949e+00 -2.050377949e+00 3.36 -2.000056715e+00 -2.000056715e+00 3.38 -1.950190324e+00 -1.950190324e+00 3.40 -1.900810665e+00 -1.900810665e+00 3.42 -1.851953412e+00 -1.851953412e+00 3.44 -1.803656799e+00 -1.803656799e+00 3.46 -1.755960136e+00 -1.755960136e+00 3.48 -1.708902240e+00 -1.708902240e+00 3.50 -1.662519942e+00 -1.662519942e+00 3.52 -1.616846785e+00 -1.616846785e+00 3.54 -1.571911983e+00 -1.571911983e+00 3.56 -1.527739700e+00 -1.527739700e+00 3.58 -1.484348641e+00 -1.484348641e+00 3.60 -1.441751969e+00 -1.441751969e+00 3.62 -1.399957515e+00 -1.399957515e+00 3.64 -1.358968283e+00 -1.358968283e+00 3.66 -1.318783195e+00 -1.318783195e+00 3.68 -1.279398070e+00 -1.279398070e+00 3.70 -1.240806763e+00 -1.240806763e+00 3.72 -1.203002414e+00 -1.203002414e+00 3.74 -1.165978679e+00 -1.165978679e+00 3.76 -1.129730843e+00 -1.129730843e+00 3.78 -1.094256637e+00 -1.094256637e+00 3.80 -1.059556642e+00 -1.059556642e+00 3.82 -1.025634153e+00 -1.025634153e+00 3.84 -9.924944761e-01 -9.924944761e-01 3.86 -9.601437177e-01 -9.601437177e-01 3.88 -9.285872235e-01 -9.285872235e-01 3.90 -8.978279005e-01 -8.978279005e-01 3.92 -8.678646809e-01 -8.678646809e-01 3.94 -8.386913602e-01 -8.386913602e-01 3.96 -8.102959386e-01 -8.102959386e-01 3.98 -7.826605320e-01 -7.826605320e-01 4.00 -7.557617840e-01 -7.557617840e-01 4.02 -7.295716753e-01 -7.295716753e-01 4.04 -7.040585904e-01 -7.040585904e-01 4.06 -6.791885175e-01 -6.791885175e-01 4.08 -6.549262879e-01 -6.549262879e-01 4.10 -6.312367949e-01 -6.312367949e-01 4.12 -6.080861857e-01 -6.080861857e-01 4.14 -5.854429769e-01 -5.854429769e-01 4.16 -5.632791529e-01 -5.632791529e-01 4.18 -5.415711898e-01 -5.415711898e-01 4.20 -5.203009973e-01 -5.203009973e-01 4.22 -4.994567259e-01 -4.994567259e-01 4.24 -4.790333707e-01 -4.790333707e-01 4.26 -4.590330918e-01 -4.590330918e-01 4.28 -4.394651758e-01 -4.394651758e-01 4.30 -4.203455791e-01 -4.203455791e-01 4.32 -4.016960328e-01 -4.016960328e-01 4.34 -3.835427292e-01 -3.835427292e-01 4.36 -3.659146628e-01 -3.659146628e-01 4.38 -3.488417377e-01 -3.488417377e-01 4.40 -3.323527768e-01 -3.323527768e-01 4.42 -3.164735808e-01 -3.164735808e-01 4.44 -3.012251706e-01 -3.012251706e-01 4.46 -2.866223286e-01 -2.866223286e-01 4.48 -2.726725223e-01 -2.726725223e-01 4.50 -2.593752638e-01 -2.593752638e-01 4.52 -2.467219238e-01 -2.467219238e-01 4.54 -2.346959865e-01 -2.346959865e-01 4.56 -2.232736986e-01 -2.232736986e-01 4.58 -2.124250399e-01 -2.124250399e-01 4.60 -2.021149246e-01 -2.021149246e-01 4.62 -1.923045332e-01 -1.923045332e-01 4.64 -1.829526825e-01 -1.829526825e-01 4.66 -1.740171541e-01 -1.740171541e-01 4.68 -1.654559229e-01 -1.654559229e-01 4.70 -1.572282540e-01 -1.572282540e-01 4.72 -1.492956515e-01 -1.492956515e-01 4.74 -1.416226664e-01 -1.416226664e-01 4.76 -1.341775714e-01 -1.341775714e-01 4.78 -1.269329220e-01 -1.269329220e-01 4.80 -1.198660107e-01 -1.198660107e-01 4.82 -1.129592288e-01 -1.129592288e-01 4.84 -1.062003058e-01 -1.062003058e-01 4.86 -9.958244299e-02 -9.958244299e-02 4.88 -9.310429122e-02 -9.310429122e-02 4.90 -8.676975581e-02 -8.676975581e-02 4.92 -8.058760098e-02 -8.058760098e-02 4.94 -7.457083814e-02 -7.457083814e-02 4.96 -6.873589869e-02 -6.873589869e-02 4.98 -6.310161404e-02 -6.310161404e-02 5.00 -5.768804782e-02 -5.768804782e-02 5.02 -5.251525472e-02 -5.251525472e-02 5.04 -4.760204677e-02 -4.760204677e-02 5.06 -4.296485909e-02 -4.296485909e-02 5.08 -3.861679965e-02 -3.861679965e-02 5.10 -3.456680251e-02 -3.456680251e-02 5.12 -3.081923531e-02 -3.081923531e-02 5.14 -2.737442153e-02 -2.737442153e-02 5.16 -2.422823600e-02 -2.422823600e-02 5.18 -2.137248587e-02 -2.137248587e-02 5.20 -1.879536073e-02 -1.879536073e-02 5.22 -1.648217269e-02 -1.648217269e-02 5.24 -1.441660901e-02 -1.441660901e-02 5.26 -1.258091850e-02 -1.258091850e-02 5.28 -1.095656662e-02 -1.095656662e-02 5.30 -9.524827171e-03 -9.524827171e-03 5.32 -8.267267788e-03 -8.267267788e-03 5.34 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