# 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 = Ag2TiZr # 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 3.181789573e+02 3.181789573e+02 1.30 2.953723029e+02 2.953723029e+02 1.32 2.742440498e+02 2.742440498e+02 1.34 2.546598748e+02 2.546598748e+02 1.36 2.364962730e+02 2.364962730e+02 1.38 2.196409351e+02 2.196409351e+02 1.40 2.039921421e+02 2.039921421e+02 1.42 1.894572567e+02 1.894572567e+02 1.44 1.759512966e+02 1.759512966e+02 1.46 1.633961884e+02 1.633961884e+02 1.48 1.517205338e+02 1.517205338e+02 1.50 1.408593536e+02 1.408593536e+02 1.52 1.307534818e+02 1.307534818e+02 1.54 1.213486321e+02 1.213486321e+02 1.56 1.125946001e+02 1.125946001e+02 1.58 1.044448352e+02 1.044448352e+02 1.60 9.685621057e+01 9.685621057e+01 1.62 8.978875464e+01 8.978875464e+01 1.64 8.320534402e+01 8.320534402e+01 1.66 7.707139492e+01 7.707139492e+01 1.68 7.135464367e+01 7.135464367e+01 1.70 6.602511587e+01 6.602511587e+01 1.72 6.105514487e+01 6.105514487e+01 1.74 5.641933892e+01 5.641933892e+01 1.76 5.209440062e+01 5.209440062e+01 1.78 4.805887976e+01 4.805887976e+01 1.80 4.429298460e+01 4.429298460e+01 1.82 4.077882022e+01 4.077882022e+01 1.84 3.749950728e+01 3.749950728e+01 1.86 3.443931791e+01 3.443931791e+01 1.88 3.158462823e+01 3.158462823e+01 1.90 2.892351386e+01 2.892351386e+01 1.92 2.644334580e+01 2.644334580e+01 1.94 2.413239158e+01 2.413239158e+01 1.96 2.197971663e+01 2.197971663e+01 1.98 1.997511419e+01 1.997511419e+01 2.00 1.810905921e+01 1.810905921e+01 2.02 1.637264490e+01 1.637264490e+01 2.04 1.475750241e+01 1.475750241e+01 2.06 1.325572371e+01 1.325572371e+01 2.08 1.185980718e+01 1.185980718e+01 2.10 1.056264538e+01 1.056264538e+01 2.12 9.357536213e+00 9.357536213e+00 2.14 8.238200631e+00 8.238200631e+00 2.16 7.198798083e+00 7.198798083e+00 2.18 6.233915172e+00 6.233915172e+00 2.20 5.338540430e+00 5.338540430e+00 2.22 4.508013661e+00 4.508013661e+00 2.24 3.737985135e+00 3.737985135e+00 2.26 3.024393120e+00 3.024393120e+00 2.28 2.363451054e+00 2.363451054e+00 2.30 1.751665745e+00 1.751665745e+00 2.32 1.185815717e+00 1.185815717e+00 2.34 6.629511609e-01 6.629511609e-01 2.36 1.803530491e-01 1.803530491e-01 2.38 -2.645014255e-01 -2.645014255e-01 2.40 -6.739774592e-01 -6.739774592e-01 2.42 -1.050321214e+00 -1.050321214e+00 2.44 -1.395682141e+00 -1.395682141e+00 2.46 -1.712131363e+00 -1.712131363e+00 2.48 -2.001662846e+00 -2.001662846e+00 2.50 -2.266185645e+00 -2.266185645e+00 2.52 -2.507511438e+00 -2.507511438e+00 2.54 -2.727342650e+00 -2.727342650e+00 2.56 -2.927307778e+00 -2.927307778e+00 2.58 -3.108889505e+00 -3.108889505e+00 2.60 -3.273366773e+00 -3.273366773e+00 2.62 -3.421930274e+00 -3.421930274e+00 2.64 -3.555694348e+00 -3.555694348e+00 2.66 -3.675687809e+00 -3.675687809e+00 2.68 -3.782863310e+00 -3.782863310e+00 2.70 -3.878096539e+00 -3.878096539e+00 2.72 -3.962114864e+00 -3.962114864e+00 2.74 -4.035523741e+00 -4.035523741e+00 2.76 -4.098853498e+00 -4.098853498e+00 2.78 -4.152590340e+00 -4.152590340e+00 2.80 -4.197227553e+00 -4.197227553e+00 2.82 -4.233249456e+00 -4.233249456e+00 2.84 -4.261136171e+00 -4.261136171e+00 2.86 -4.281360026e+00 -4.281360026e+00 2.88 -4.294385605e+00 -4.294385605e+00 2.90 -4.300665787e+00 -4.300665787e+00 2.92 -4.300587175e+00 -4.300587175e+00 2.94 -4.294501517e+00 -4.294501517e+00 2.96 -4.282773834e+00 -4.282773834e+00 2.98 -4.265780434e+00 -4.265780434e+00 3.00 -4.243906172e+00 -4.243906172e+00 3.02 -4.217541277e+00 -4.217541277e+00 3.04 -4.187074762e+00 -4.187074762e+00 3.06 -4.152896456e+00 -4.152896456e+00 3.08 -4.115375868e+00 -4.115375868e+00 3.10 -4.074864344e+00 -4.074864344e+00 3.12 -4.031685154e+00 -4.031685154e+00 3.14 -3.986138274e+00 -3.986138274e+00 3.16 -3.938488961e+00 -3.938488961e+00 3.18 -3.889020780e+00 -3.889020780e+00 3.20 -3.838089987e+00 -3.838089987e+00 3.22 -3.785775950e+00 -3.785775950e+00 3.24 -3.732142012e+00 -3.732142012e+00 3.26 -3.677269252e+00 -3.677269252e+00 3.28 -3.621255197e+00 -3.621255197e+00 3.30 -3.564211865e+00 -3.564211865e+00 3.32 -3.506262520e+00 -3.506262520e+00 3.34 -3.447537005e+00 -3.447537005e+00 3.36 -3.388166371e+00 -3.388166371e+00 3.38 -3.328282741e+00 -3.328282741e+00 3.40 -3.268015300e+00 -3.268015300e+00 3.42 -3.207484523e+00 -3.207484523e+00 3.44 -3.146795487e+00 -3.146795487e+00 3.46 -3.086044993e+00 -3.086044993e+00 3.48 -3.025323179e+00 -3.025323179e+00 3.50 -2.964716199e+00 -2.964716199e+00 3.52 -2.904307949e+00 -2.904307949e+00 3.54 -2.844180441e+00 -2.844180441e+00 3.56 -2.784412742e+00 -2.784412742e+00 3.58 -2.725078723e+00 -2.725078723e+00 3.60 -2.666244187e+00 -2.666244187e+00 3.62 -2.607964079e+00 -2.607964079e+00 3.64 -2.550280468e+00 -2.550280468e+00 3.66 -2.493221780e+00 -2.493221780e+00 3.68 -2.436803466e+00 -2.436803466e+00 3.70 -2.381029967e+00 -2.381029967e+00 3.72 -2.325897673e+00 -2.325897673e+00 3.74 -2.271398482e+00 -2.271398482e+00 3.76 -2.217523569e+00 -2.217523569e+00 3.78 -2.164267008e+00 -2.164267008e+00 3.80 -2.111628884e+00 -2.111628884e+00 3.82 -2.059617584e+00 -2.059617584e+00 3.84 -2.008250930e+00 -2.008250930e+00 3.86 -1.957555956e+00 -1.957555956e+00 3.88 -1.907567292e+00 -1.907567292e+00 3.90 -1.858324358e+00 -1.858324358e+00 3.92 -1.809866261e+00 -1.809866261e+00 3.94 -1.762234745e+00 -1.762234745e+00 3.96 -1.715460631e+00 -1.715460631e+00 3.98 -1.669569019e+00 -1.669569019e+00 4.00 -1.624576349e+00 -1.624576349e+00 4.02 -1.580490541e+00 -1.580490541e+00 4.04 -1.537311976e+00 -1.537311976e+00 4.06 -1.495034981e+00 -1.495034981e+00 4.08 -1.453649494e+00 -1.453649494e+00 4.10 -1.413138882e+00 -1.413138882e+00 4.12 -1.373497183e+00 -1.373497183e+00 4.14 -1.334705316e+00 -1.334705316e+00 4.16 -1.296749565e+00 -1.296749565e+00 4.18 -1.259617637e+00 -1.259617637e+00 4.20 -1.223299191e+00 -1.223299191e+00 4.22 -1.187786201e+00 -1.187786201e+00 4.24 -1.153073153e+00 -1.153073153e+00 4.26 -1.119157038e+00 -1.119157038e+00 4.28 -1.086037143e+00 -1.086037143e+00 4.30 -1.053714608e+00 -1.053714608e+00 4.32 -1.022191772e+00 -1.022191772e+00 4.34 -9.914713260e-01 -9.914713260e-01 4.36 -9.615553582e-01 -9.615553582e-01 4.38 -9.324443709e-01 -9.324443709e-01 4.40 -9.041363747e-01 -9.041363747e-01 4.42 -8.766261551e-01 -8.766261551e-01 4.44 -8.499047835e-01 -8.499047835e-01 4.46 -8.239594052e-01 -8.239594052e-01 4.48 -7.987733011e-01 -7.987733011e-01 4.50 -7.743261861e-01 -7.743261861e-01 4.52 -7.505946816e-01 -7.505946816e-01 4.54 -7.275528952e-01 -7.275528952e-01 4.56 -7.051730406e-01 -7.051730406e-01 4.58 -6.834260460e-01 -6.834260460e-01 4.60 -6.622821151e-01 -6.622821151e-01 4.62 -6.417112232e-01 -6.417112232e-01 4.64 -6.216835440e-01 -6.216835440e-01 4.66 -6.021698168e-01 -6.021698168e-01 4.68 -5.831416677e-01 -5.831416677e-01 4.70 -5.645719044e-01 -5.645719044e-01 4.72 -5.464348014e-01 -5.464348014e-01 4.74 -5.287063936e-01 -5.287063936e-01 4.76 -5.113647866e-01 -5.113647866e-01 4.78 -4.943904916e-01 -4.943904916e-01 4.80 -4.777636345e-01 -4.777636345e-01 4.82 -4.614774368e-01 -4.614774368e-01 4.84 -4.455180032e-01 -4.455180032e-01 4.86 -4.298790162e-01 -4.298790162e-01 4.88 -4.145581780e-01 -4.145581780e-01 4.90 -3.995573195e-01 -3.995573195e-01 4.92 -3.848823396e-01 -3.848823396e-01 4.94 -3.705429359e-01 -3.705429359e-01 4.96 -3.565520983e-01 -3.565520983e-01 4.98 -3.429253613e-01 -3.429253613e-01 5.00 -3.296798339e-01 -3.296798339e-01 5.02 -3.168330584e-01 -3.168330584e-01 5.04 -3.044017784e-01 -3.044017784e-01 5.06 -2.924007125e-01 -2.924007125e-01 5.08 -2.808414423e-01 -2.808414423e-01 5.10 -2.697315112e-01 -2.697315112e-01 5.12 -2.590738109e-01 -2.590738109e-01 5.14 -2.488662957e-01 -2.488662957e-01 5.16 -2.391020316e-01 -2.391020316e-01 5.18 -2.297695438e-01 -2.297695438e-01 5.20 -2.208534111e-01 -2.208534111e-01 5.22 -2.123350291e-01 -2.123350291e-01 5.24 -2.041934669e-01 -2.041934669e-01 5.26 -1.964062045e-01 -1.964062045e-01 5.28 -1.889501829e-01 -1.889501829e-01 5.30 -1.818027587e-01 -1.818027587e-01 5.32 -1.749420239e-01 -1.749420239e-01 5.34 -1.683473672e-01 -1.683473672e-01 5.36 -1.619998968e-01 -1.619998968e-01 5.38 -1.558827215e-01 -1.558827215e-01 5.40 -1.499810943e-01 -1.499810943e-01 5.42 -1.442824281e-01 -1.442824281e-01 5.44 -1.387761939e-01 -1.387761939e-01 5.46 -1.334537191e-01 -1.334537191e-01 5.48 -1.283079062e-01 -1.283079062e-01 5.50 -1.233328998e-01 -1.233328998e-01 5.52 -1.185237321e-01 -1.185237321e-01 5.54 -1.138759815e-01 -1.138759815e-01 5.56 -1.093854727e-01 -1.093854727e-01 5.58 -1.050480450e-01 -1.050480450e-01 5.60 -1.008593722e-01 -1.008593722e-01 5.62 -9.681478421e-02 -9.681478421e-02 5.64 -9.290970729e-02 -9.290970729e-02 5.66 -8.913948685e-02 -8.913948685e-02 5.68 -8.549946188e-02 -8.549946188e-02 5.70 -8.198511648e-02 -8.198511648e-02 5.72 -7.859221811e-02 -7.859221811e-02 5.74 -7.531692020e-02 -7.531692020e-02 5.76 -7.215581347e-02 -7.215581347e-02 5.78 -6.910591814e-02 -6.910591814e-02 5.80 -6.616461814e-02 -6.616461814e-02 5.82 -6.332954595e-02 -6.332954595e-02 5.84 -6.059843312e-02 -6.059843312e-02 5.86 -5.796894535e-02 -5.796894535e-02 5.88 -5.543852226e-02 -5.543852226e-02 5.90 -5.300424053e-02 -5.300424053e-02 5.92 -5.066271505e-02 -5.066271505e-02 5.94 -4.841004757e-02 -4.841004757e-02 5.96 -4.624182645e-02 -4.624182645e-02 5.98 -4.415317563e-02 -4.415317563e-02 6.00 -4.213884633e-02 -4.213884633e-02