# 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 = AlMg2Ni # 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 2.131356608e+02 2.131356608e+02 1.30 1.972911182e+02 1.972911182e+02 1.32 1.826478743e+02 1.826478743e+02 1.34 1.691061944e+02 1.691061944e+02 1.36 1.565765038e+02 1.565765038e+02 1.38 1.449799391e+02 1.449799391e+02 1.40 1.342463686e+02 1.342463686e+02 1.42 1.243113076e+02 1.243113076e+02 1.44 1.151134435e+02 1.151134435e+02 1.46 1.065936824e+02 1.065936824e+02 1.48 9.869589017e+01 9.869589017e+01 1.50 9.136855643e+01 9.136855643e+01 1.52 8.456602234e+01 8.456602234e+01 1.54 7.824843203e+01 7.824843203e+01 1.56 7.238066768e+01 7.238066768e+01 1.58 6.693087520e+01 6.693087520e+01 1.60 6.187006019e+01 6.187006019e+01 1.62 5.717226099e+01 5.717226099e+01 1.64 5.281130699e+01 5.281130699e+01 1.66 4.876236171e+01 4.876236171e+01 1.68 4.500207949e+01 4.500207949e+01 1.70 4.150884430e+01 4.150884430e+01 1.72 3.826295815e+01 3.826295815e+01 1.74 3.524658114e+01 3.524658114e+01 1.76 3.244344414e+01 3.244344414e+01 1.78 2.983854762e+01 2.983854762e+01 1.80 2.741800191e+01 2.741800191e+01 1.82 2.516900533e+01 2.516900533e+01 1.84 2.307983424e+01 2.307983424e+01 1.86 2.113975861e+01 2.113975861e+01 1.88 1.933885246e+01 1.933885246e+01 1.90 1.766776031e+01 1.766776031e+01 1.92 1.611749377e+01 1.611749377e+01 1.94 1.467932423e+01 1.467932423e+01 1.96 1.334480404e+01 1.334480404e+01 1.98 1.210589891e+01 1.210589891e+01 2.00 1.095516423e+01 1.095516423e+01 2.02 9.885884534e+00 9.885884534e+00 2.04 8.892122629e+00 8.892122629e+00 2.06 7.968664637e+00 7.968664637e+00 2.08 7.110889418e+00 7.110889418e+00 2.10 6.314617508e+00 6.314617508e+00 2.12 5.575983258e+00 5.575983258e+00 2.14 4.891351637e+00 4.891351637e+00 2.16 4.257276624e+00 4.257276624e+00 2.18 3.670483667e+00 3.670483667e+00 2.20 3.127865352e+00 3.127865352e+00 2.22 2.626477656e+00 2.626477656e+00 2.24 2.163538065e+00 2.163538065e+00 2.26 1.736423701e+00 1.736423701e+00 2.28 1.342666419e+00 1.342666419e+00 2.30 9.799498204e-01 9.799498204e-01 2.32 6.460991530e-01 6.460991530e-01 2.34 3.390808797e-01 3.390808797e-01 2.36 5.700560113e-02 5.700560113e-02 2.38 -2.018614141e-01 -2.018614141e-01 2.40 -4.390944637e-01 -4.390944637e-01 2.42 -6.561130208e-01 -6.561130208e-01 2.44 -8.542066364e-01 -8.542066364e-01 2.46 -1.034570247e+00 -1.034570247e+00 2.48 -1.198337616e+00 -1.198337616e+00 2.50 -1.346607564e+00 -1.346607564e+00 2.52 -1.480460414e+00 -1.480460414e+00 2.54 -1.601106498e+00 -1.601106498e+00 2.56 -1.710216035e+00 -1.710216035e+00 2.58 -1.808507743e+00 -1.808507743e+00 2.60 -1.896617479e+00 -1.896617479e+00 2.62 -1.975226420e+00 -1.975226420e+00 2.64 -2.045021464e+00 -2.045021464e+00 2.66 -2.106656100e+00 -2.106656100e+00 2.68 -2.160725954e+00 -2.160725954e+00 2.70 -2.207759830e+00 -2.207759830e+00 2.72 -2.248234594e+00 -2.248234594e+00 2.74 -2.282584587e+00 -2.282584587e+00 2.76 -2.311204509e+00 -2.311204509e+00 2.78 -2.334457885e+00 -2.334457885e+00 2.80 -2.352681232e+00 -2.352681232e+00 2.82 -2.366182116e+00 -2.366182116e+00 2.84 -2.375239690e+00 -2.375239690e+00 2.86 -2.380105637e+00 -2.380105637e+00 2.88 -2.381008007e+00 -2.381008007e+00 2.90 -2.378157122e+00 -2.378157122e+00 2.92 -2.371752751e+00 -2.371752751e+00 2.94 -2.361991871e+00 -2.361991871e+00 2.96 -2.349076550e+00 -2.349076550e+00 2.98 -2.333221415e+00 -2.333221415e+00 3.00 -2.314659862e+00 -2.314659862e+00 3.02 -2.293647729e+00 -2.293647729e+00 3.04 -2.270462782e+00 -2.270462782e+00 3.06 -2.245400683e+00 -2.245400683e+00 3.08 -2.218763293e+00 -2.218763293e+00 3.10 -2.190846827e+00 -2.190846827e+00 3.12 -2.161927408e+00 -2.161927408e+00 3.14 -2.132251317e+00 -2.132251317e+00 3.16 -2.102033333e+00 -2.102033333e+00 3.18 -2.071465570e+00 -2.071465570e+00 3.20 -2.040657953e+00 -2.040657953e+00 3.22 -2.009690094e+00 -2.009690094e+00 3.24 -1.978623305e+00 -1.978623305e+00 3.26 -1.947507064e+00 -1.947507064e+00 3.28 -1.916384140e+00 -1.916384140e+00 3.30 -1.885293815e+00 -1.885293815e+00 3.32 -1.854273210e+00 -1.854273210e+00 3.34 -1.823357060e+00 -1.823357060e+00 3.36 -1.792568635e+00 -1.792568635e+00 3.38 -1.761898279e+00 -1.761898279e+00 3.40 -1.731331378e+00 -1.731331378e+00 3.42 -1.700856439e+00 -1.700856439e+00 3.44 -1.670464064e+00 -1.670464064e+00 3.46 -1.640147319e+00 -1.640147319e+00 3.48 -1.609901806e+00 -1.609901806e+00 3.50 -1.579725792e+00 -1.579725792e+00 3.52 -1.549620190e+00 -1.549620190e+00 3.54 -1.519588379e+00 -1.519588379e+00 3.56 -1.489635912e+00 -1.489635912e+00 3.58 -1.459770156e+00 -1.459770156e+00 3.60 -1.429999917e+00 -1.429999917e+00 3.62 -1.400335097e+00 -1.400335097e+00 3.64 -1.370786425e+00 -1.370786425e+00 3.66 -1.341365293e+00 -1.341365293e+00 3.68 -1.312083750e+00 -1.312083750e+00 3.70 -1.282954668e+00 -1.282954668e+00 3.72 -1.253992101e+00 -1.253992101e+00 3.74 -1.225211817e+00 -1.225211817e+00 3.76 -1.196631947e+00 -1.196631947e+00 3.78 -1.168273638e+00 -1.168273638e+00 3.80 -1.140161545e+00 -1.140161545e+00 3.82 -1.112323996e+00 -1.112323996e+00 3.84 -1.084792630e+00 -1.084792630e+00 3.86 -1.057601403e+00 -1.057601403e+00 3.88 -1.030784951e+00 -1.030784951e+00 3.90 -1.004376441e+00 -1.004376441e+00 3.92 -9.784050303e-01 -9.784050303e-01 3.94 -9.528942954e-01 -9.528942954e-01 3.96 -9.278593466e-01 -9.278593466e-01 3.98 -9.033065606e-01 -9.033065606e-01 4.00 -8.792331830e-01 -8.792331830e-01 4.02 -8.556279498e-01 -8.556279498e-01 4.04 -8.324723592e-01 -8.324723592e-01 4.06 -8.097423646e-01 -8.097423646e-01 4.08 -7.874102688e-01 -7.874102688e-01 4.10 -7.654460531e-01 -7.654460531e-01 4.12 -7.438216613e-01 -7.438216613e-01 4.14 -7.225087588e-01 -7.225087588e-01 4.16 -7.014829615e-01 -7.014829615e-01 4.18 -6.807243738e-01 -6.807243738e-01 4.20 -6.602186459e-01 -6.602186459e-01 4.22 -6.399577818e-01 -6.399577818e-01 4.24 -6.199406495e-01 -6.199406495e-01 4.26 -6.001731380e-01 -6.001731380e-01 4.28 -5.806679184e-01 -5.806679184e-01 4.30 -5.614437927e-01 -5.614437927e-01 4.32 -5.425246624e-01 -5.425246624e-01 4.34 -5.239381949e-01 -5.239381949e-01 4.36 -5.057143078e-01 -5.057143078e-01 4.38 -4.878836109e-01 -4.878836109e-01 4.40 -4.704759283e-01 -4.704759283e-01 4.42 -4.535189934e-01 -4.535189934e-01 4.44 -4.370373505e-01 -4.370373505e-01 4.46 -4.210514555e-01 -4.210514555e-01 4.48 -4.055769387e-01 -4.055769387e-01 4.50 -3.906239927e-01 -3.906239927e-01 4.52 -3.761968723e-01 -3.761968723e-01 4.54 -3.622935248e-01 -3.622935248e-01 4.56 -3.489053961e-01 -3.489053961e-01 4.58 -3.360174657e-01 -3.360174657e-01 4.60 -3.236085552e-01 -3.236085552e-01 4.62 -3.116519202e-01 -3.116519202e-01 4.64 -3.001161085e-01 -3.001161085e-01 4.66 -2.889660312e-01 -2.889660312e-01 4.68 -2.781641792e-01 -2.781641792e-01 4.70 -2.676719131e-01 -2.676719131e-01 4.72 -2.574507629e-01 -2.574507629e-01 4.74 -2.474636871e-01 -2.474636871e-01 4.76 -2.376762581e-01 -2.376762581e-01 4.78 -2.280577531e-01 -2.280577531e-01 4.80 -2.185817536e-01 -2.185817536e-01 4.82 -2.092285763e-01 -2.092285763e-01 4.84 -1.999834914e-01 -1.999834914e-01 4.86 -1.908389732e-01 -1.908389732e-01 4.88 -1.817945305e-01 -1.817945305e-01 4.90 -1.728567239e-01 -1.728567239e-01 4.92 -1.640388711e-01 -1.640388711e-01 4.94 -1.553604111e-01 -1.553604111e-01 4.96 -1.468459251e-01 -1.468459251e-01 4.98 -1.385238410e-01 -1.385238410e-01 5.00 -1.304248905e-01 -1.304248905e-01 5.02 -1.225804142e-01 -1.225804142e-01 5.04 -1.150206427e-01 -1.150206427e-01 5.06 -1.077730832e-01 -1.077730832e-01 5.08 -1.008611384e-01 -1.008611384e-01 5.10 -9.430305426e-02 -9.430305426e-02 5.12 -8.811125722e-02 -8.811125722e-02 5.14 -8.229209739e-02 -8.229209739e-02 5.16 -7.684597188e-02 -7.684597188e-02 5.18 -7.176776945e-02 -7.176776945e-02 5.20 -6.704756213e-02 -6.704756213e-02 5.22 -6.267144562e-02 -6.267144562e-02 5.24 -5.862243129e-02 -5.862243129e-02 5.26 -5.488137999e-02 -5.488137999e-02 5.28 -5.142785563e-02 -5.142785563e-02 5.30 -4.824088133e-02 -4.824088133e-02 5.32 -4.529948030e-02 -4.529948030e-02 5.34 -4.258216742e-02 -4.258216742e-02 5.36 -4.007008294e-02 -4.007008294e-02 5.38 -3.774588570e-02 -3.774588570e-02 5.40 -3.559336637e-02 -3.559336637e-02 5.42 -3.359761738e-02 -3.359761738e-02 5.44 -3.174509561e-02 -3.174509561e-02 5.46 -3.002360287e-02 -3.002360287e-02 5.48 -2.842220688e-02 -2.842220688e-02 5.50 -2.693112291e-02 -2.693112291e-02 5.52 -2.554157417e-02 -2.554157417e-02 5.54 -2.424564613e-02 -2.424564613e-02 5.56 -2.303614727e-02 -2.303614727e-02 5.58 -2.190648498e-02 -2.190648498e-02 5.60 -2.085056225e-02 -2.085056225e-02 5.62 -1.986269723e-02 -1.986269723e-02 5.64 -1.893756483e-02 -1.893756483e-02 5.66 -1.807015766e-02 -1.807015766e-02 5.68 -1.725576212e-02 -1.725576212e-02 5.70 -1.648994517e-02 -1.648994517e-02 5.72 -1.576854754e-02 -1.576854754e-02 5.74 -1.508767929e-02 -1.508767929e-02 5.76 -1.444368290e-02 -1.444368290e-02 5.78 -1.383318237e-02 -1.383318237e-02 5.80 -1.325307872e-02 -1.325307872e-02 5.82 -1.270051580e-02 -1.270051580e-02 5.84 -1.217286877e-02 -1.217286877e-02 5.86 -1.166773107e-02 -1.166773107e-02 5.88 -1.118290060e-02 -1.118290060e-02 5.90 -1.071636601e-02 -1.071636601e-02 5.92 -1.026629356e-02 -1.026629356e-02 5.94 -9.831015360e-03 -9.831015360e-03 5.96 -9.409019307e-03 -9.409019307e-03 5.98 -8.998941185e-03 -8.998941185e-03 6.00 -8.599559089e-03 -8.599559089e-03