# 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 = AgCo2Ti # 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 1.981072979e+02 1.981072979e+02 1.30 1.825686299e+02 1.825686299e+02 1.32 1.682403110e+02 1.682403110e+02 1.34 1.550212262e+02 1.550212262e+02 1.36 1.428193838e+02 1.428193838e+02 1.38 1.315518044e+02 1.315518044e+02 1.40 1.211435393e+02 1.211435393e+02 1.42 1.115263540e+02 1.115263540e+02 1.44 1.026375798e+02 1.026375798e+02 1.46 9.441952871e+01 9.441952871e+01 1.48 8.681944028e+01 8.681944028e+01 1.50 7.978943472e+01 7.978943472e+01 1.52 7.328600553e+01 7.328600553e+01 1.54 6.726924205e+01 6.726924205e+01 1.56 6.170228427e+01 6.170228427e+01 1.58 5.655109723e+01 5.655109723e+01 1.60 5.178430171e+01 5.178430171e+01 1.62 4.737291832e+01 4.737291832e+01 1.64 4.329006832e+01 4.329006832e+01 1.66 3.951071582e+01 3.951071582e+01 1.68 3.601162625e+01 3.601162625e+01 1.70 3.277178339e+01 3.277178339e+01 1.72 2.977405251e+01 2.977405251e+01 1.74 2.700068239e+01 2.700068239e+01 1.76 2.443489601e+01 2.443489601e+01 1.78 2.206134636e+01 2.206134636e+01 1.80 1.986602120e+01 1.986602120e+01 1.82 1.783618029e+01 1.783618029e+01 1.84 1.596024963e+01 1.596024963e+01 1.86 1.422764855e+01 1.422764855e+01 1.88 1.262858020e+01 1.262858020e+01 1.90 1.115383045e+01 1.115383045e+01 1.92 9.794614201e+00 9.794614201e+00 1.94 8.542504359e+00 8.542504359e+00 1.96 7.389455267e+00 7.389455267e+00 1.98 6.327888943e+00 6.327888943e+00 2.00 5.350782453e+00 5.350782453e+00 2.02 4.451707776e+00 4.451707776e+00 2.04 3.624812569e+00 3.624812569e+00 2.06 2.864761389e+00 2.864761389e+00 2.08 2.166668197e+00 2.166668197e+00 2.10 1.526040045e+00 1.526040045e+00 2.12 9.387330684e-01 9.387330684e-01 2.14 4.009147114e-01 4.009147114e-01 2.16 -9.096837961e-02 -9.096837961e-02 2.18 -5.402145797e-01 -5.402145797e-01 2.20 -9.498851993e-01 -9.498851993e-01 2.22 -1.322822538e+00 -1.322822538e+00 2.24 -1.661671238e+00 -1.661671238e+00 2.26 -1.968900117e+00 -1.968900117e+00 2.28 -2.246818846e+00 -2.246818846e+00 2.30 -2.497586058e+00 -2.497586058e+00 2.32 -2.723211232e+00 -2.723211232e+00 2.34 -2.925553376e+00 -2.925553376e+00 2.36 -3.106322452e+00 -3.106322452e+00 2.38 -3.267086816e+00 -3.267086816e+00 2.40 -3.409288384e+00 -3.409288384e+00 2.42 -3.534263334e+00 -3.534263334e+00 2.44 -3.643263748e+00 -3.643263748e+00 2.46 -3.737476236e+00 -3.737476236e+00 2.48 -3.818078695e+00 -3.818078695e+00 2.50 -3.886162487e+00 -3.886162487e+00 2.52 -3.942701243e+00 -3.942701243e+00 2.54 -3.988726657e+00 -3.988726657e+00 2.56 -4.025134247e+00 -4.025134247e+00 2.58 -4.052738154e+00 -4.052738154e+00 2.60 -4.072343138e+00 -4.072343138e+00 2.62 -4.084706692e+00 -4.084706692e+00 2.64 -4.090419978e+00 -4.090419978e+00 2.66 -4.089986982e+00 -4.089986982e+00 2.68 -4.083866968e+00 -4.083866968e+00 2.70 -4.072430085e+00 -4.072430085e+00 2.72 -4.055904855e+00 -4.055904855e+00 2.74 -4.034498232e+00 -4.034498232e+00 2.76 -4.008422446e+00 -4.008422446e+00 2.78 -3.977898419e+00 -3.977898419e+00 2.80 -3.943156954e+00 -3.943156954e+00 2.82 -3.904467500e+00 -3.904467500e+00 2.84 -3.862158646e+00 -3.862158646e+00 2.86 -3.816382182e+00 -3.816382182e+00 2.88 -3.767297275e+00 -3.767297275e+00 2.90 -3.715088177e+00 -3.715088177e+00 2.92 -3.659961748e+00 -3.659961748e+00 2.94 -3.602147148e+00 -3.602147148e+00 2.96 -3.541897494e+00 -3.541897494e+00 2.98 -3.479494019e+00 -3.479494019e+00 3.00 -3.415253925e+00 -3.415253925e+00 3.02 -3.349521500e+00 -3.349521500e+00 3.04 -3.282656875e+00 -3.282656875e+00 3.06 -3.215021618e+00 -3.215021618e+00 3.08 -3.146959345e+00 -3.146959345e+00 3.10 -3.078776711e+00 -3.078776711e+00 3.12 -3.010729054e+00 -3.010729054e+00 3.14 -2.943014355e+00 -2.943014355e+00 3.16 -2.875775099e+00 -2.875775099e+00 3.18 -2.809106787e+00 -2.809106787e+00 3.20 -2.743069241e+00 -2.743069241e+00 3.22 -2.677698146e+00 -2.677698146e+00 3.24 -2.613014933e+00 -2.613014933e+00 3.26 -2.549034210e+00 -2.549034210e+00 3.28 -2.485768739e+00 -2.485768739e+00 3.30 -2.423232361e+00 -2.423232361e+00 3.32 -2.361441409e+00 -2.361441409e+00 3.34 -2.300415128e+00 -2.300415128e+00 3.36 -2.240175565e+00 -2.240175565e+00 3.38 -2.180747238e+00 -2.180747238e+00 3.40 -2.122156830e+00 -2.122156830e+00 3.42 -2.064433132e+00 -2.064433132e+00 3.44 -2.007607060e+00 -2.007607060e+00 3.46 -1.951712010e+00 -1.951712010e+00 3.48 -1.896784139e+00 -1.896784139e+00 3.50 -1.842862391e+00 -1.842862391e+00 3.52 -1.789987960e+00 -1.789987960e+00 3.54 -1.738202891e+00 -1.738202891e+00 3.56 -1.687547775e+00 -1.687547775e+00 3.58 -1.638058707e+00 -1.638058707e+00 3.60 -1.589764035e+00 -1.589764035e+00 3.62 -1.542681553e+00 -1.542681553e+00 3.64 -1.496816761e+00 -1.496816761e+00 3.66 -1.452162552e+00 -1.452162552e+00 3.68 -1.408700336e+00 -1.408700336e+00 3.70 -1.366402243e+00 -1.366402243e+00 3.72 -1.325233942e+00 -1.325233942e+00 3.74 -1.285157519e+00 -1.285157519e+00 3.76 -1.246134043e+00 -1.246134043e+00 3.78 -1.208125571e+00 -1.208125571e+00 3.80 -1.171096500e+00 -1.171096500e+00 3.82 -1.135014305e+00 -1.135014305e+00 3.84 -1.099849752e+00 -1.099849752e+00 3.86 -1.065576722e+00 -1.065576722e+00 3.88 -1.032171774e+00 -1.032171774e+00 3.90 -9.996135614e-01 -9.996135614e-01 3.92 -9.678821809e-01 -9.678821809e-01 3.94 -9.369586650e-01 -9.369586650e-01 3.96 -9.068243074e-01 -9.068243074e-01 3.98 -8.774603522e-01 -8.774603522e-01 4.00 -8.488476813e-01 -8.488476813e-01 4.02 -8.209666716e-01 -8.209666716e-01 4.04 -7.937972020e-01 -7.937972020e-01 4.06 -7.673188120e-01 -7.673188120e-01 4.08 -7.415110131e-01 -7.415110131e-01 4.10 -7.163536904e-01 -7.163536904e-01 4.12 -6.918279461e-01 -6.918279461e-01 4.14 -6.679164180e-01 -6.679164180e-01 4.16 -6.446043288e-01 -6.446043288e-01 4.18 -6.218801870e-01 -6.218801870e-01 4.20 -5.997364643e-01 -5.997364643e-01 4.22 -5.781700654e-01 -5.781700654e-01 4.24 -5.571824659e-01 -5.571824659e-01 4.26 -5.367794166e-01 -5.367794166e-01 4.28 -5.169701558e-01 -5.169701558e-01 4.30 -4.977661442e-01 -4.977661442e-01 4.32 -4.791794253e-01 -4.791794253e-01 4.34 -4.612207948e-01 -4.612207948e-01 4.36 -4.438980091e-01 -4.438980091e-01 4.38 -4.272142658e-01 -4.272142658e-01 4.40 -4.111671384e-01 -4.111671384e-01 4.42 -3.957480597e-01 -3.957480597e-01 4.44 -3.809423573e-01 -3.809423573e-01 4.46 -3.667297557e-01 -3.667297557e-01 4.48 -3.530852144e-01 -3.530852144e-01 4.50 -3.399799490e-01 -3.399799490e-01 4.52 -3.273825001e-01 -3.273825001e-01 4.54 -3.152597426e-01 -3.152597426e-01 4.56 -3.035777695e-01 -3.035777695e-01 4.58 -2.923026182e-01 -2.923026182e-01 4.60 -2.814008396e-01 -2.814008396e-01 4.62 -2.708399278e-01 -2.708399278e-01 4.64 -2.605886456e-01 -2.605886456e-01 4.66 -2.506172794e-01 -2.506172794e-01 4.68 -2.408978650e-01 -2.408978650e-01 4.70 -2.314044167e-01 -2.314044167e-01 4.72 -2.221131887e-01 -2.221131887e-01 4.74 -2.130029886e-01 -2.130029886e-01 4.76 -2.040555538e-01 -2.040555538e-01 4.78 -1.952559864e-01 -1.952559864e-01 4.80 -1.865931873e-01 -1.865931873e-01 4.82 -1.780605151e-01 -1.780605151e-01 4.84 -1.696559502e-01 -1.696559502e-01 4.86 -1.613826174e-01 -1.613826174e-01 4.88 -1.532488835e-01 -1.532488835e-01 4.90 -1.452682493e-01 -1.452682493e-01 4.92 -1.374589294e-01 -1.374589294e-01 4.94 -1.298430870e-01 -1.298430870e-01 4.96 -1.224457343e-01 -1.224457343e-01 4.98 -1.152933546e-01 -1.152933546e-01 5.00 -1.084123472e-01 -1.084123472e-01 5.02 -1.018274312e-01 -1.018274312e-01 5.04 -9.556015342e-02 -9.556015342e-02 5.06 -8.962763959e-02 -8.962763959e-02 5.08 -8.404157317e-02 -8.404157317e-02 5.10 -7.880783526e-02 -7.880783526e-02 5.12 -7.392669564e-02 -7.392669564e-02 5.14 -6.939277523e-02 -6.939277523e-02 5.16 -6.519566230e-02 -6.519566230e-02 5.18 -6.132066380e-02 -6.132066380e-02 5.20 -5.774968398e-02 -5.774968398e-02 5.22 -5.446273449e-02 -5.446273449e-02 5.24 -5.143835443e-02 -5.143835443e-02 5.26 -4.865439508e-02 -4.865439508e-02 5.28 -4.608871754e-02 -4.608871754e-02 5.30 -4.371973830e-02 -4.371973830e-02 5.32 -4.152682922e-02 -4.152682922e-02 5.34 -3.949058755e-02 -3.949058755e-02 5.36 -3.759299702e-02 -3.759299702e-02 5.38 -3.581750217e-02 -3.581750217e-02 5.40 -3.414901792e-02 -3.414901792e-02 5.42 -3.257389388e-02 -3.257389388e-02 5.44 -3.107985003e-02 -3.107985003e-02 5.46 -2.965589767e-02 -2.965589767e-02 5.48 -2.829225615e-02 -2.829225615e-02 5.50 -2.698027355e-02 -2.698027355e-02 5.52 -2.571235679e-02 -2.571235679e-02 5.54 -2.448191495e-02 -2.448191495e-02 5.56 -2.328331706e-02 -2.328331706e-02 5.58 -2.211186432e-02 -2.211186432e-02 5.60 -2.096377528e-02 -2.096377528e-02 5.62 -1.983618019e-02 -1.983618019e-02 5.64 -1.872711964e-02 -1.872711964e-02 5.66 -1.763554122e-02 -1.763554122e-02 5.68 -1.656128707e-02 -1.656128707e-02 5.70 -1.550506461e-02 -1.550506461e-02 5.72 -1.446839355e-02 -1.446839355e-02 5.74 -1.345352345e-02 -1.345352345e-02 5.76 -1.246331858e-02 -1.246331858e-02 5.78 -1.150101714e-02 -1.150101714e-02 5.80 -1.057020252e-02 -1.057020252e-02 5.82 -9.674652107e-03 -9.674652107e-03 5.84 -8.818033941e-03 -8.818033941e-03 5.86 -8.003711235e-03 -8.003711235e-03 5.88 -7.234568183e-03 -7.234568183e-03 5.90 -6.512869687e-03 -6.512869687e-03 5.92 -5.840164129e-03 -5.840164129e-03 5.94 -5.217233742e-03 -5.217233742e-03 5.96 -4.644092238e-03 -4.644092238e-03 5.98 -4.120024931e-03 -4.120024931e-03 6.00 -3.643663222e-03 -3.643663222e-03