# 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 = PbPt2Ti # 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 4.258554715e+02 4.258554715e+02 1.30 3.983682837e+02 3.983682837e+02 1.32 3.726871352e+02 3.726871352e+02 1.34 3.486804248e+02 3.486804248e+02 1.36 3.262260438e+02 3.262260438e+02 1.38 3.052110498e+02 3.052110498e+02 1.40 2.855345716e+02 2.855345716e+02 1.42 2.671089733e+02 2.671089733e+02 1.44 2.498549246e+02 2.498549246e+02 1.46 2.336948387e+02 2.336948387e+02 1.48 2.185516129e+02 2.185516129e+02 1.50 2.043517183e+02 2.043517183e+02 1.52 1.910271279e+02 1.910271279e+02 1.54 1.785143502e+02 1.785143502e+02 1.56 1.667529239e+02 1.667529239e+02 1.58 1.556851028e+02 1.556851028e+02 1.60 1.452566981e+02 1.452566981e+02 1.62 1.354181541e+02 1.354181541e+02 1.64 1.261253073e+02 1.261253073e+02 1.66 1.173397678e+02 1.173397678e+02 1.68 1.090291972e+02 1.090291972e+02 1.70 1.011672756e+02 1.011672756e+02 1.72 9.373263338e+01 9.373263338e+01 1.74 8.670633562e+01 8.670633562e+01 1.76 8.006886478e+01 8.006886478e+01 1.78 7.379831562e+01 7.379831562e+01 1.80 6.787081865e+01 6.787081865e+01 1.82 6.228410641e+01 6.228410641e+01 1.84 5.710603496e+01 5.710603496e+01 1.86 5.231564924e+01 5.231564924e+01 1.88 4.788499802e+01 4.788499802e+01 1.90 4.378986326e+01 4.378986326e+01 1.92 4.000794076e+01 4.000794076e+01 1.94 3.651743552e+01 3.651743552e+01 1.96 3.329658918e+01 3.329658918e+01 1.98 3.032396011e+01 3.032396011e+01 2.00 2.757903683e+01 2.757903683e+01 2.02 2.504278537e+01 2.504278537e+01 2.04 2.269793932e+01 2.269793932e+01 2.06 2.052903137e+01 2.052903137e+01 2.08 1.852225235e+01 1.852225235e+01 2.10 1.666523602e+01 1.666523602e+01 2.12 1.494681445e+01 1.494681445e+01 2.14 1.335680305e+01 1.335680305e+01 2.16 1.188583554e+01 1.188583554e+01 2.18 1.052527153e+01 1.052527153e+01 2.20 9.267158366e+00 9.267158366e+00 2.22 8.104218840e+00 8.104218840e+00 2.24 7.029828735e+00 7.029828735e+00 2.26 6.037969518e+00 6.037969518e+00 2.28 5.123153415e+00 5.123153415e+00 2.30 4.280339246e+00 4.280339246e+00 2.32 3.504847203e+00 3.504847203e+00 2.34 2.792288315e+00 2.792288315e+00 2.36 2.138517112e+00 2.138517112e+00 2.38 1.539598515e+00 1.539598515e+00 2.40 9.917837412e-01 9.917837412e-01 2.42 4.914898523e-01 4.914898523e-01 2.44 3.528239459e-02 3.528239459e-02 2.46 -3.801328045e-01 -3.801328045e-01 2.48 -7.579076476e-01 -7.579076476e-01 2.50 -1.101041390e+00 -1.101041390e+00 2.52 -1.412366841e+00 -1.412366841e+00 2.54 -1.694536079e+00 -1.694536079e+00 2.56 -1.950005702e+00 -1.950005702e+00 2.58 -2.181021753e+00 -2.181021753e+00 2.60 -2.389608331e+00 -2.389608331e+00 2.62 -2.579013828e+00 -2.579013828e+00 2.64 -2.751726583e+00 -2.751726583e+00 2.66 -2.908536749e+00 -2.908536749e+00 2.68 -3.050170463e+00 -3.050170463e+00 2.70 -3.177302170e+00 -3.177302170e+00 2.72 -3.290567997e+00 -3.290567997e+00 2.74 -3.390611606e+00 -3.390611606e+00 2.76 -3.478000388e+00 -3.478000388e+00 2.78 -3.553255628e+00 -3.553255628e+00 2.80 -3.616886175e+00 -3.616886175e+00 2.82 -3.669389163e+00 -3.669389163e+00 2.84 -3.711255531e+00 -3.711255531e+00 2.86 -3.742980231e+00 -3.742980231e+00 2.88 -3.765077468e+00 -3.765077468e+00 2.90 -3.778099312e+00 -3.778099312e+00 2.92 -3.782651204e+00 -3.782651204e+00 2.94 -3.779367955e+00 -3.779367955e+00 2.96 -3.768936830e+00 -3.768936830e+00 2.98 -3.752119673e+00 -3.752119673e+00 3.00 -3.729725289e+00 -3.729725289e+00 3.02 -3.702569133e+00 -3.702569133e+00 3.04 -3.671427794e+00 -3.671427794e+00 3.06 -3.637000165e+00 -3.637000165e+00 3.08 -3.599875707e+00 -3.599875707e+00 3.10 -3.560524456e+00 -3.560524456e+00 3.12 -3.519299681e+00 -3.519299681e+00 3.14 -3.476457550e+00 -3.476457550e+00 3.16 -3.432174485e+00 -3.432174485e+00 3.18 -3.386574260e+00 -3.386574260e+00 3.20 -3.339746877e+00 -3.339746877e+00 3.22 -3.291763202e+00 -3.291763202e+00 3.24 -3.242684445e+00 -3.242684445e+00 3.26 -3.192567692e+00 -3.192567692e+00 3.28 -3.141469046e+00 -3.141469046e+00 3.30 -3.089445608e+00 -3.089445608e+00 3.32 -3.036557035e+00 -3.036557035e+00 3.34 -2.982866886e+00 -2.982866886e+00 3.36 -2.928443682e+00 -2.928443682e+00 3.38 -2.873361559e+00 -2.873361559e+00 3.40 -2.817700302e+00 -2.817700302e+00 3.42 -2.761545470e+00 -2.761545470e+00 3.44 -2.704987079e+00 -2.704987079e+00 3.46 -2.648120199e+00 -2.648120199e+00 3.48 -2.591065816e+00 -2.591065816e+00 3.50 -2.533933927e+00 -2.533933927e+00 3.52 -2.476889770e+00 -2.476889770e+00 3.54 -2.420102649e+00 -2.420102649e+00 3.56 -2.363724481e+00 -2.363724481e+00 3.58 -2.307888978e+00 -2.307888978e+00 3.60 -2.252710489e+00 -2.252710489e+00 3.62 -2.198282999e+00 -2.198282999e+00 3.64 -2.144679785e+00 -2.144679785e+00 3.66 -2.091953914e+00 -2.091953914e+00 3.68 -2.040137560e+00 -2.040137560e+00 3.70 -1.989242381e+00 -1.989242381e+00 3.72 -1.939267725e+00 -1.939267725e+00 3.74 -1.890203880e+00 -1.890203880e+00 3.76 -1.842034686e+00 -1.842034686e+00 3.78 -1.794739775e+00 -1.794739775e+00 3.80 -1.748296376e+00 -1.748296376e+00 3.82 -1.702680726e+00 -1.702680726e+00 3.84 -1.657869139e+00 -1.657869139e+00 3.86 -1.613838819e+00 -1.613838819e+00 3.88 -1.570568470e+00 -1.570568470e+00 3.90 -1.528038776e+00 -1.528038776e+00 3.92 -1.486232423e+00 -1.486232423e+00 3.94 -1.445135978e+00 -1.445135978e+00 3.96 -1.404737870e+00 -1.404737870e+00 3.98 -1.365030510e+00 -1.365030510e+00 4.00 -1.326010376e+00 -1.326010376e+00 4.02 -1.287678625e+00 -1.287678625e+00 4.04 -1.250041738e+00 -1.250041738e+00 4.06 -1.213112111e+00 -1.213112111e+00 4.08 -1.176908427e+00 -1.176908427e+00 4.10 -1.141454868e+00 -1.141454868e+00 4.12 -1.106783848e+00 -1.106783848e+00 4.14 -1.072929553e+00 -1.072929553e+00 4.16 -1.039929620e+00 -1.039929620e+00 4.18 -1.007821482e+00 -1.007821482e+00 4.20 -9.766392176e-01 -9.766392176e-01 4.22 -9.464102518e-01 -9.464102518e-01 4.24 -9.171523071e-01 -9.171523071e-01 4.26 -8.888709842e-01 -8.888709842e-01 4.28 -8.615582778e-01 -8.615582778e-01 4.30 -8.351921756e-01 -8.351921756e-01 4.32 -8.097373148e-01 -8.097373148e-01 4.34 -7.851465201e-01 -7.851465201e-01 4.36 -7.613629422e-01 -7.613629422e-01 4.38 -7.383224824e-01 -7.383224824e-01 4.40 -7.159562160e-01 -7.159562160e-01 4.42 -6.941925946e-01 -6.941925946e-01 4.44 -6.729592926e-01 -6.729592926e-01 4.46 -6.521846506e-01 -6.521846506e-01 4.48 -6.317987361e-01 -6.317987361e-01 4.50 -6.117340922e-01 -6.117340922e-01 4.52 -5.919262713e-01 -5.919262713e-01 4.54 -5.723142641e-01 -5.723142641e-01 4.56 -5.528409287e-01 -5.528409287e-01 4.58 -5.334535137e-01 -5.334535137e-01 4.60 -5.141043498e-01 -5.141043498e-01 4.62 -4.947517591e-01 -4.947517591e-01 4.64 -4.753612011e-01 -4.753612011e-01 4.66 -4.559066410e-01 -4.559066410e-01 4.68 -4.363720819e-01 -4.363720819e-01 4.70 -4.167531638e-01 -4.167531638e-01 4.72 -3.970586850e-01 -3.970586850e-01 4.74 -3.773118652e-01 -3.773118652e-01 4.76 -3.575511463e-01 -3.575511463e-01 4.78 -3.378303238e-01 -3.378303238e-01 4.80 -3.182170949e-01 -3.182170949e-01 4.82 -2.987944386e-01 -2.987944386e-01 4.84 -2.796531901e-01 -2.796531901e-01 4.86 -2.608918263e-01 -2.608918263e-01 4.88 -2.426114081e-01 -2.426114081e-01 4.90 -2.249110582e-01 -2.249110582e-01 4.92 -2.078834918e-01 -2.078834918e-01 4.94 -1.916109829e-01 -1.916109829e-01 4.96 -1.761621011e-01 -1.761621011e-01 4.98 -1.615894436e-01 -1.615894436e-01 5.00 -1.479284650e-01 -1.479284650e-01 5.02 -1.351973748e-01 -1.351973748e-01 5.04 -1.233979702e-01 -1.233979702e-01 5.06 -1.125172040e-01 -1.125172040e-01 5.08 -1.025292553e-01 -1.025292553e-01 5.10 -9.339788122e-02 -9.339788122e-02 5.12 -8.507885202e-02 -8.507885202e-02 5.14 -7.752231450e-02 -7.752231450e-02 5.16 -7.067496861e-02 -7.067496861e-02 5.18 -6.448197635e-02 -6.448197635e-02 5.20 -5.888858080e-02 -5.888858080e-02 5.22 -5.384139937e-02 -5.384139937e-02 5.24 -4.928938914e-02 -4.928938914e-02 5.26 -4.518452458e-02 -4.518452458e-02 5.28 -4.148221506e-02 -4.148221506e-02 5.30 -3.814113010e-02 -3.814113010e-02 5.32 -3.512362846e-02 -3.512362846e-02 5.34 -3.239650096e-02 -3.239650096e-02 5.36 -2.992958248e-02 -2.992958248e-02 5.38 -2.769554123e-02 -2.769554123e-02 5.40 -2.566962823e-02 -2.566962823e-02 5.42 -2.382983977e-02 -2.382983977e-02 5.44 -2.215636712e-02 -2.215636712e-02 5.46 -2.063135477e-02 -2.063135477e-02 5.48 -1.923871262e-02 -1.923871262e-02 5.50 -1.796394925e-02 -1.796394925e-02 5.52 -1.679402751e-02 -1.679402751e-02 5.54 -1.571724077e-02 -1.571724077e-02 5.56 -1.472310712e-02 -1.472310712e-02 5.58 -1.380227805e-02 -1.380227805e-02 5.60 -1.294645841e-02 -1.294645841e-02 5.62 -1.214833456e-02 -1.214833456e-02 5.64 -1.140150790e-02 -1.140150790e-02 5.66 -1.070043151e-02 -1.070043151e-02 5.68 -1.004034768e-02 -1.004034768e-02 5.70 -9.417224485e-03 -9.417224485e-03 5.72 -8.827690013e-03 -8.827690013e-03 5.74 -8.268963330e-03 -8.268963330e-03 5.76 -7.738781895e-03 -7.738781895e-03 5.78 -7.235326022e-03 -7.235326022e-03 5.80 -6.757141772e-03 -6.757141772e-03 5.82 -6.303064463e-03 -6.303064463e-03 5.84 -5.872145019e-03 -5.872145019e-03 5.86 -5.463580999e-03 -5.463580999e-03 5.88 -5.076665835e-03 -5.076665835e-03 5.90 -4.710738278e-03 -4.710738278e-03 5.92 -4.365146966e-03 -4.365146966e-03 5.94 -4.039228329e-03 -4.039228329e-03 5.96 -3.732295802e-03 -3.732295802e-03 5.98 -3.443638444e-03 -3.443638444e-03 6.00 -3.172526444e-03 -3.172526444e-03