# 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 = AgAuPb2 # 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 3.971917576e+02 3.971917576e+02 1.30 3.705778262e+02 3.705778262e+02 1.32 3.458331671e+02 3.458331671e+02 1.34 3.228104541e+02 3.228104541e+02 1.36 3.013749963e+02 3.013749963e+02 1.38 2.814036376e+02 2.814036376e+02 1.40 2.627840873e+02 2.627840873e+02 1.42 2.454143801e+02 2.454143801e+02 1.44 2.292022754e+02 2.292022754e+02 1.46 2.140644333e+02 2.140644333e+02 1.48 1.999251458e+02 1.999251458e+02 1.50 1.867147193e+02 1.867147193e+02 1.52 1.743680347e+02 1.743680347e+02 1.54 1.628238419e+02 1.628238419e+02 1.56 1.520247046e+02 1.520247046e+02 1.58 1.419172040e+02 1.419172040e+02 1.60 1.324520765e+02 1.324520765e+02 1.62 1.235842154e+02 1.235842154e+02 1.64 1.152724941e+02 1.152724941e+02 1.66 1.074794434e+02 1.074794434e+02 1.68 1.001707790e+02 1.001707790e+02 1.70 9.331491308e+01 9.331491308e+01 1.72 8.689047395e+01 8.689047395e+01 1.74 8.087876176e+01 8.087876176e+01 1.76 7.526361805e+01 7.526361805e+01 1.78 7.001851399e+01 7.001851399e+01 1.80 6.511816900e+01 6.511816900e+01 1.82 6.053901841e+01 6.053901841e+01 1.84 5.625912364e+01 5.625912364e+01 1.86 5.225811746e+01 5.225811746e+01 1.88 4.851718103e+01 4.851718103e+01 1.90 4.501898427e+01 4.501898427e+01 1.92 4.174758411e+01 4.174758411e+01 1.94 3.868830903e+01 3.868830903e+01 1.96 3.582763368e+01 3.582763368e+01 1.98 3.315304356e+01 3.315304356e+01 2.00 3.065288634e+01 3.065288634e+01 2.02 2.831622813e+01 2.831622813e+01 2.04 2.613273713e+01 2.613273713e+01 2.06 2.409261919e+01 2.409261919e+01 2.08 2.218660821e+01 2.218660821e+01 2.10 2.040598248e+01 2.040598248e+01 2.12 1.874258822e+01 1.874258822e+01 2.14 1.718884094e+01 1.718884094e+01 2.16 1.573770155e+01 1.573770155e+01 2.18 1.438263516e+01 1.438263516e+01 2.20 1.311755879e+01 1.311755879e+01 2.22 1.193679795e+01 1.193679795e+01 2.24 1.083505045e+01 1.083505045e+01 2.26 9.807359031e+00 9.807359031e+00 2.28 8.849090918e+00 8.849090918e+00 2.30 7.955913102e+00 7.955913102e+00 2.32 7.123769907e+00 7.123769907e+00 2.34 6.348860660e+00 6.348860660e+00 2.36 5.627612723e+00 5.627612723e+00 2.38 4.956658489e+00 4.956658489e+00 2.40 4.332815538e+00 4.332815538e+00 2.42 3.753073367e+00 3.753073367e+00 2.44 3.214586159e+00 3.214586159e+00 2.46 2.714672674e+00 2.714672674e+00 2.48 2.250818589e+00 2.250818589e+00 2.50 1.820678537e+00 1.820678537e+00 2.52 1.422074798e+00 1.422074798e+00 2.54 1.052991024e+00 1.052991024e+00 2.56 7.115607019e-01 7.115607019e-01 2.58 3.960513280e-01 3.960513280e-01 2.60 1.048464055e-01 1.048464055e-01 2.62 -1.635712370e-01 -1.635712370e-01 2.64 -4.106360476e-01 -4.106360476e-01 2.66 -6.377042425e-01 -6.377042425e-01 2.68 -8.460609634e-01 -8.460609634e-01 2.70 -1.036920272e+00 -1.036920272e+00 2.72 -1.211424953e+00 -1.211424953e+00 2.74 -1.370665799e+00 -1.370665799e+00 2.76 -1.515697602e+00 -1.515697602e+00 2.78 -1.647401798e+00 -1.647401798e+00 2.80 -1.766600069e+00 -1.766600069e+00 2.82 -1.874066202e+00 -1.874066202e+00 2.84 -1.970529005e+00 -1.970529005e+00 2.86 -2.056674053e+00 -2.056674053e+00 2.88 -2.133146158e+00 -2.133146158e+00 2.90 -2.200552350e+00 -2.200552350e+00 2.92 -2.259464726e+00 -2.259464726e+00 2.94 -2.310420773e+00 -2.310420773e+00 2.96 -2.354005741e+00 -2.354005741e+00 2.98 -2.390706127e+00 -2.390706127e+00 3.00 -2.420916662e+00 -2.420916662e+00 3.02 -2.445037232e+00 -2.445037232e+00 3.04 -2.463472107e+00 -2.463472107e+00 3.06 -2.476630451e+00 -2.476630451e+00 3.08 -2.484918507e+00 -2.484918507e+00 3.10 -2.488737115e+00 -2.488737115e+00 3.12 -2.488474565e+00 -2.488474565e+00 3.14 -2.484510262e+00 -2.484510262e+00 3.16 -2.477202034e+00 -2.477202034e+00 3.18 -2.466884041e+00 -2.466884041e+00 3.20 -2.453865564e+00 -2.453865564e+00 3.22 -2.438488322e+00 -2.438488322e+00 3.24 -2.420983639e+00 -2.420983639e+00 3.26 -2.401516864e+00 -2.401516864e+00 3.28 -2.380241204e+00 -2.380241204e+00 3.30 -2.357297276e+00 -2.357297276e+00 3.32 -2.332814023e+00 -2.332814023e+00 3.34 -2.306910571e+00 -2.306910571e+00 3.36 -2.279698503e+00 -2.279698503e+00 3.38 -2.251282659e+00 -2.251282659e+00 3.40 -2.221750816e+00 -2.221750816e+00 3.42 -2.191182818e+00 -2.191182818e+00 3.44 -2.159659817e+00 -2.159659817e+00 3.46 -2.127264838e+00 -2.127264838e+00 3.48 -2.094081493e+00 -2.094081493e+00 3.50 -2.060192951e+00 -2.060192951e+00 3.52 -2.025680964e+00 -2.025680964e+00 3.54 -1.990625084e+00 -1.990625084e+00 3.56 -1.955102131e+00 -1.955102131e+00 3.58 -1.919185957e+00 -1.919185957e+00 3.60 -1.882947506e+00 -1.882947506e+00 3.62 -1.846455124e+00 -1.846455124e+00 3.64 -1.809775034e+00 -1.809775034e+00 3.66 -1.772971866e+00 -1.772971866e+00 3.68 -1.736109087e+00 -1.736109087e+00 3.70 -1.699249205e+00 -1.699249205e+00 3.72 -1.662453621e+00 -1.662453621e+00 3.74 -1.625782090e+00 -1.625782090e+00 3.76 -1.589291844e+00 -1.589291844e+00 3.78 -1.553036497e+00 -1.553036497e+00 3.80 -1.517064948e+00 -1.517064948e+00 3.82 -1.481420482e+00 -1.481420482e+00 3.84 -1.446140241e+00 -1.446140241e+00 3.86 -1.411255144e+00 -1.411255144e+00 3.88 -1.376790227e+00 -1.376790227e+00 3.90 -1.342765308e+00 -1.342765308e+00 3.92 -1.309195115e+00 -1.309195115e+00 3.94 -1.276093137e+00 -1.276093137e+00 3.96 -1.243467715e+00 -1.243467715e+00 3.98 -1.211325966e+00 -1.211325966e+00 4.00 -1.179673370e+00 -1.179673370e+00 4.02 -1.148514085e+00 -1.148514085e+00 4.04 -1.117851148e+00 -1.117851148e+00 4.06 -1.087686632e+00 -1.087686632e+00 4.08 -1.058021801e+00 -1.058021801e+00 4.10 -1.028855306e+00 -1.028855306e+00 4.12 -1.000191800e+00 -1.000191800e+00 4.14 -9.720291453e-01 -9.720291453e-01 4.16 -9.443680375e-01 -9.443680375e-01 4.18 -9.172100109e-01 -9.172100109e-01 4.20 -8.905578759e-01 -8.905578759e-01 4.22 -8.644160918e-01 -8.644160918e-01 4.24 -8.387910061e-01 -8.387910061e-01 4.26 -8.136909000e-01 -8.136909000e-01 4.28 -7.891257885e-01 -7.891257885e-01 4.30 -7.651069545e-01 -7.651069545e-01 4.32 -7.416462298e-01 -7.416462298e-01 4.34 -7.187550782e-01 -7.187550782e-01 4.36 -6.964435732e-01 -6.964435732e-01 4.38 -6.747193828e-01 -6.747193828e-01 4.40 -6.535868819e-01 -6.535868819e-01 4.42 -6.330464901e-01 -6.330464901e-01 4.44 -6.130942996e-01 -6.130942996e-01 4.46 -5.937220128e-01 -5.937220128e-01 4.48 -5.749171647e-01 -5.749171647e-01 4.50 -5.566635736e-01 -5.566635736e-01 4.52 -5.389419437e-01 -5.389419437e-01 4.54 -5.217305433e-01 -5.217305433e-01 4.56 -5.050058898e-01 -5.050058898e-01 4.58 -4.887433926e-01 -4.887433926e-01 4.60 -4.729179230e-01 -4.729179230e-01 4.62 -4.575043024e-01 -4.575043024e-01 4.64 -4.424777095e-01 -4.424777095e-01 4.66 -4.278140238e-01 -4.278140238e-01 4.68 -4.134901218e-01 -4.134901218e-01 4.70 -3.994841486e-01 -3.994841486e-01 4.72 -3.857757806e-01 -3.857757806e-01 4.74 -3.723464976e-01 -3.723464976e-01 4.76 -3.591798675e-01 -3.591798675e-01 4.78 -3.462618491e-01 -3.462618491e-01 4.80 -3.335796174e-01 -3.335796174e-01 4.82 -3.211280380e-01 -3.211280380e-01 4.84 -3.089002918e-01 -3.089002918e-01 4.86 -2.968948016e-01 -2.968948016e-01 4.88 -2.851135760e-01 -2.851135760e-01 4.90 -2.735621802e-01 -2.735621802e-01 4.92 -2.622495403e-01 -2.622495403e-01 4.94 -2.511875590e-01 -2.511875590e-01 4.96 -2.403905410e-01 -2.403905410e-01 4.98 -2.298744453e-01 -2.298744453e-01 5.00 -2.196560048e-01 -2.196560048e-01 5.02 -2.097517739e-01 -2.097517739e-01 5.04 -2.001771815e-01 -2.001771815e-01 5.06 -1.909456650e-01 -1.909456650e-01 5.08 -1.820679625e-01 -1.820679625e-01 5.10 -1.735516150e-01 -1.735516150e-01 5.12 -1.654007102e-01 -1.654007102e-01 5.14 -1.576158686e-01 -1.576158686e-01 5.16 -1.501944456e-01 -1.501944456e-01 5.18 -1.431308957e-01 -1.431308957e-01 5.20 -1.364172576e-01 -1.364172576e-01 5.22 -1.300436791e-01 -1.300436791e-01 5.24 -1.239989345e-01 -1.239989345e-01 5.26 -1.182708778e-01 -1.182708778e-01 5.28 -1.128468128e-01 -1.128468128e-01 5.30 -1.077137689e-01 -1.077137689e-01 5.32 -1.028586821e-01 -1.028586821e-01 5.34 -9.826849547e-02 -9.826849547e-02 5.36 -9.392973879e-02 -9.392973879e-02 5.38 -8.982887104e-02 -8.982887104e-02 5.40 -8.595361875e-02 -8.595361875e-02 5.42 -8.229153972e-02 -8.229153972e-02 5.44 -7.883005695e-02 -7.883005695e-02 5.46 -7.555654577e-02 -7.555654577e-02 5.48 -7.245842674e-02 -7.245842674e-02 5.50 -6.952326303e-02 -6.952326303e-02 5.52 -6.673885804e-02 -6.673885804e-02 5.54 -6.409334854e-02 -6.409334854e-02 5.56 -6.157528850e-02 -6.157528850e-02 5.58 -5.917372033e-02 -5.917372033e-02 5.60 -5.687823128e-02 -5.687823128e-02 5.62 -5.467899489e-02 -5.467899489e-02 5.64 -5.256679813e-02 -5.256679813e-02 5.66 -5.053305613e-02 -5.053305613e-02 5.68 -4.856981719e-02 -4.856981719e-02 5.70 -4.666976068e-02 -4.666976068e-02 5.72 -4.482619066e-02 -4.482619066e-02 5.74 -4.303302783e-02 -4.303302783e-02 5.76 -4.128480194e-02 -4.128480194e-02 5.78 -3.957664621e-02 -3.957664621e-02 5.80 -3.790429500e-02 -3.790429500e-02 5.82 -3.626408498e-02 -3.626408498e-02 5.84 -3.465295968e-02 -3.465295968e-02 5.86 -3.306847648e-02 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