# 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 = AlAu2Mg # 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 2.990142913e+02 2.990142913e+02 1.30 2.775540535e+02 2.775540535e+02 1.32 2.576600979e+02 2.576600979e+02 1.34 2.392070711e+02 2.392070711e+02 1.36 2.220815780e+02 2.220815780e+02 1.38 2.061803201e+02 2.061803201e+02 1.40 1.914084784e+02 1.914084784e+02 1.42 1.776787197e+02 1.776787197e+02 1.44 1.649109096e+02 1.649109096e+02 1.46 1.530321322e+02 1.530321322e+02 1.48 1.419763739e+02 1.419763739e+02 1.50 1.316836021e+02 1.316836021e+02 1.52 1.220986023e+02 1.220986023e+02 1.54 1.131700815e+02 1.131700815e+02 1.56 1.048501619e+02 1.048501619e+02 1.58 9.709411275e+01 9.709411275e+01 1.60 8.986027695e+01 8.986027695e+01 1.62 8.311016171e+01 8.311016171e+01 1.64 7.680857715e+01 7.680857715e+01 1.66 7.092538107e+01 7.092538107e+01 1.68 6.545302588e+01 6.545302588e+01 1.70 6.036886030e+01 6.036886030e+01 1.72 5.564530346e+01 5.564530346e+01 1.74 5.125768534e+01 5.125768534e+01 1.76 4.718304317e+01 4.718304317e+01 1.78 4.339903304e+01 4.339903304e+01 1.80 3.988493940e+01 3.988493940e+01 1.82 3.662154160e+01 3.662154160e+01 1.84 3.359101415e+01 3.359101415e+01 1.86 3.077685544e+01 3.077685544e+01 1.88 2.816379944e+01 2.816379944e+01 1.90 2.573769563e+01 2.573769563e+01 1.92 2.348538160e+01 2.348538160e+01 1.94 2.139458614e+01 2.139458614e+01 1.96 1.945388884e+01 1.945388884e+01 1.98 1.765271326e+01 1.765271326e+01 2.00 1.598131325e+01 1.598131325e+01 2.02 1.443072123e+01 1.443072123e+01 2.04 1.299266407e+01 1.299266407e+01 2.06 1.165947148e+01 1.165947148e+01 2.08 1.042399657e+01 1.042399657e+01 2.10 9.279555942e+00 9.279555942e+00 2.12 8.219885569e+00 8.219885569e+00 2.14 7.239110343e+00 7.239110343e+00 2.16 6.331723121e+00 6.331723121e+00 2.18 5.492570937e+00 5.492570937e+00 2.20 4.716847837e+00 4.716847837e+00 2.22 4.000089127e+00 4.000089127e+00 2.24 3.338165868e+00 3.338165868e+00 2.26 2.727276286e+00 2.727276286e+00 2.28 2.163932172e+00 2.163932172e+00 2.30 1.644940856e+00 1.644940856e+00 2.32 1.167381334e+00 1.167381334e+00 2.34 7.285768932e-01 7.285768932e-01 2.36 3.260652133e-01 3.260652133e-01 2.38 -4.243286041e-02 -4.243286041e-02 2.40 -3.790445801e-01 -3.790445801e-01 2.42 -6.857756073e-01 -6.857756073e-01 2.44 -9.645363119e-01 -9.645363119e-01 2.46 -1.217163370e+00 -1.217163370e+00 2.48 -1.445433583e+00 -1.445433583e+00 2.50 -1.651070160e+00 -1.651070160e+00 2.52 -1.835743294e+00 -1.835743294e+00 2.54 -2.001068628e+00 -2.001068628e+00 2.56 -2.148606742e+00 -2.148606742e+00 2.58 -2.279863608e+00 -2.279863608e+00 2.60 -2.396288083e+00 -2.396288083e+00 2.62 -2.499261238e+00 -2.499261238e+00 2.64 -2.590171357e+00 -2.590171357e+00 2.66 -2.670241874e+00 -2.670241874e+00 2.68 -2.740346042e+00 -2.740346042e+00 2.70 -2.801258248e+00 -2.801258248e+00 2.72 -2.854167498e+00 -2.854167498e+00 2.74 -2.899888455e+00 -2.899888455e+00 2.76 -2.938614987e+00 -2.938614987e+00 2.78 -2.970549402e+00 -2.970549402e+00 2.80 -2.995903447e+00 -2.995903447e+00 2.82 -3.014889194e+00 -3.014889194e+00 2.84 -3.027728323e+00 -3.027728323e+00 2.86 -3.034654686e+00 -3.034654686e+00 2.88 -3.035916389e+00 -3.035916389e+00 2.90 -3.031783723e+00 -3.031783723e+00 2.92 -3.022535798e+00 -3.022535798e+00 2.94 -3.008461158e+00 -3.008461158e+00 2.96 -2.989863411e+00 -2.989863411e+00 2.98 -2.967067942e+00 -2.967067942e+00 3.00 -2.940428104e+00 -2.940428104e+00 3.02 -2.910328661e+00 -2.910328661e+00 3.04 -2.877184046e+00 -2.877184046e+00 3.06 -2.841430759e+00 -2.841430759e+00 3.08 -2.803511723e+00 -2.803511723e+00 3.10 -2.763857882e+00 -2.763857882e+00 3.12 -2.722868111e+00 -2.722868111e+00 3.14 -2.680893634e+00 -2.680893634e+00 3.16 -2.638227061e+00 -2.638227061e+00 3.18 -2.595100956e+00 -2.595100956e+00 3.20 -2.551692013e+00 -2.551692013e+00 3.22 -2.508129933e+00 -2.508129933e+00 3.24 -2.464508253e+00 -2.464508253e+00 3.26 -2.420895017e+00 -2.420895017e+00 3.28 -2.377341876e+00 -2.377341876e+00 3.30 -2.333890963e+00 -2.333890963e+00 3.32 -2.290579518e+00 -2.290579518e+00 3.34 -2.247444004e+00 -2.247444004e+00 3.36 -2.204533826e+00 -2.204533826e+00 3.38 -2.161874492e+00 -2.161874492e+00 3.40 -2.119486735e+00 -2.119486735e+00 3.42 -2.077394022e+00 -2.077394022e+00 3.44 -2.035621936e+00 -2.035621936e+00 3.46 -1.994197947e+00 -1.994197947e+00 3.48 -1.953150899e+00 -1.953150899e+00 3.50 -1.912510454e+00 -1.912510454e+00 3.52 -1.872306220e+00 -1.872306220e+00 3.54 -1.832557810e+00 -1.832557810e+00 3.56 -1.793268879e+00 -1.793268879e+00 3.58 -1.754444576e+00 -1.754444576e+00 3.60 -1.716092030e+00 -1.716092030e+00 3.62 -1.678219266e+00 -1.678219266e+00 3.64 -1.640834290e+00 -1.640834290e+00 3.66 -1.603944356e+00 -1.603944356e+00 3.68 -1.567555388e+00 -1.567555388e+00 3.70 -1.531671571e+00 -1.531671571e+00 3.72 -1.496295072e+00 -1.496295072e+00 3.74 -1.461425916e+00 -1.461425916e+00 3.76 -1.427061970e+00 -1.427061970e+00 3.78 -1.393199056e+00 -1.393199056e+00 3.80 -1.359831136e+00 -1.359831136e+00 3.82 -1.326950571e+00 -1.326950571e+00 3.84 -1.294548388e+00 -1.294548388e+00 3.86 -1.262614534e+00 -1.262614534e+00 3.88 -1.231138087e+00 -1.231138087e+00 3.90 -1.200107389e+00 -1.200107389e+00 3.92 -1.169510031e+00 -1.169510031e+00 3.94 -1.139333293e+00 -1.139333293e+00 3.96 -1.109563495e+00 -1.109563495e+00 3.98 -1.080186484e+00 -1.080186484e+00 4.00 -1.051187581e+00 -1.051187581e+00 4.02 -1.022551718e+00 -1.022551718e+00 4.04 -9.942636716e-01 -9.942636716e-01 4.06 -9.663084276e-01 -9.663084276e-01 4.08 -9.386716941e-01 -9.386716941e-01 4.10 -9.113403094e-01 -9.113403094e-01 4.12 -8.843042868e-01 -8.843042868e-01 4.14 -8.575560082e-01 -8.575560082e-01 4.16 -8.310927146e-01 -8.310927146e-01 4.18 -8.049173930e-01 -8.049173930e-01 4.20 -7.790399481e-01 -7.790399481e-01 4.22 -7.534781501e-01 -7.534781501e-01 4.24 -7.282581789e-01 -7.282581789e-01 4.26 -7.034145817e-01 -7.034145817e-01 4.28 -6.789895011e-01 -6.789895011e-01 4.30 -6.550311003e-01 -6.550311003e-01 4.32 -6.315912221e-01 -6.315912221e-01 4.34 -6.087224391e-01 -6.087224391e-01 4.36 -5.864747661e-01 -5.864747661e-01 4.38 -5.648923803e-01 -5.648923803e-01 4.40 -5.440107094e-01 -5.440107094e-01 4.42 -5.238541953e-01 -5.238541953e-01 4.44 -5.044349367e-01 -5.044349367e-01 4.46 -4.857522771e-01 -4.857522771e-01 4.48 -4.677932753e-01 -4.677932753e-01 4.50 -4.505338909e-01 -4.505338909e-01 4.52 -4.339406635e-01 -4.339406635e-01 4.54 -4.179726536e-01 -4.179726536e-01 4.56 -4.025834377e-01 -4.025834377e-01 4.58 -3.877230054e-01 -3.877230054e-01 4.60 -3.733394592e-01 -3.733394592e-01 4.62 -3.593804754e-01 -3.593804754e-01 4.64 -3.457945273e-01 -3.457945273e-01 4.66 -3.325318999e-01 -3.325318999e-01 4.68 -3.195455470e-01 -3.195455470e-01 4.70 -3.067918404e-01 -3.067918404e-01 4.72 -2.942312646e-01 -2.942312646e-01 4.74 -2.818290936e-01 -2.818290936e-01 4.76 -2.695560767e-01 -2.695560767e-01 4.78 -2.573891370e-01 -2.573891370e-01 4.80 -2.453118705e-01 -2.453118705e-01 4.82 -2.333160316e-01 -2.333160316e-01 4.84 -2.214007959e-01 -2.214007959e-01 4.86 -2.095740598e-01 -2.095740598e-01 4.88 -1.978523347e-01 -1.978523347e-01 4.90 -1.862605408e-01 -1.862605408e-01 4.92 -1.748313914e-01 -1.748313914e-01 4.94 -1.636043242e-01 -1.636043242e-01 4.96 -1.526239831e-01 -1.526239831e-01 4.98 -1.419383004e-01 -1.419383004e-01 5.00 -1.315962863e-01 -1.315962863e-01 5.02 -1.216456766e-01 -1.216456766e-01 5.04 -1.121306187e-01 -1.121306187e-01 5.06 -1.030895810e-01 -1.030895810e-01 5.08 -9.455365040e-02 -9.455365040e-02 5.10 -8.654534804e-02 -8.654534804e-02 5.12 -7.907799996e-02 -7.907799996e-02 5.14 -7.215568530e-02 -7.215568530e-02 5.16 -6.577371822e-02 -6.577371822e-02 5.18 -5.991953042e-02 -5.991953042e-02 5.20 -5.457382201e-02 -5.457382201e-02 5.22 -4.971118493e-02 -4.971118493e-02 5.24 -4.530332166e-02 -4.530332166e-02 5.26 -4.131957419e-02 -4.131957419e-02 5.28 -3.772755939e-02 -3.772755939e-02 5.30 -3.449439932e-02 -3.449439932e-02 5.32 -3.158783899e-02 -3.158783899e-02 5.34 -2.897672711e-02 -2.897672711e-02 5.36 -2.663154139e-02 -2.663154139e-02 5.38 -2.452474051e-02 -2.452474051e-02 5.40 -2.263096621e-02 -2.263096621e-02 5.42 -2.092712395e-02 -2.092712395e-02 5.44 -1.939236938e-02 -1.939236938e-02 5.46 -1.800802472e-02 -1.800802472e-02 5.48 -1.675744652e-02 -1.675744652e-02 5.50 -1.562579583e-02 -1.562579583e-02 5.52 -1.459996837e-02 -1.459996837e-02 5.54 -1.366843327e-02 -1.366843327e-02 5.56 -1.282098218e-02 -1.282098218e-02 5.58 -1.204856822e-02 -1.204856822e-02 5.60 -1.134316006e-02 -1.134316006e-02 5.62 -1.069761329e-02 -1.069761329e-02 5.64 -1.010555938e-02 -1.010555938e-02 5.66 -9.561311134e-03 -9.561311134e-03 5.68 -9.059782732e-03 -9.059782732e-03 5.70 -8.596422092e-03 -8.596422092e-03 5.72 -8.167153170e-03 -8.167153170e-03 5.74 -7.768326123e-03 -7.768326123e-03 5.76 -7.396673623e-03 -7.396673623e-03 5.78 -7.049271974e-03 -7.049271974e-03 5.80 -6.723506108e-03 -6.723506108e-03 5.82 -6.417037841e-03 -6.417037841e-03 5.84 -6.127777010e-03 -6.127777010e-03 5.86 -5.853855282e-03 -5.853855282e-03 5.88 -5.593602530e-03 -5.593602530e-03 5.90 -5.345525722e-03 -5.345525722e-03 5.92 -5.108290296e-03 -5.108290296e-03 5.94 -4.880703994e-03 -4.880703994e-03 5.96 -4.661703103e-03 -4.661703103e-03 5.98 -4.450341047e-03 -4.450341047e-03 6.00 -4.245779232e-03 -4.245779232e-03