# 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 = Ag2CoZr # 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 2.720616496e+02 2.720616496e+02 1.30 2.520219980e+02 2.520219980e+02 1.32 2.334811590e+02 2.334811590e+02 1.34 2.163182132e+02 2.163182132e+02 1.36 2.004223992e+02 2.004223992e+02 1.38 1.856931442e+02 1.856931442e+02 1.40 1.720394474e+02 1.720394474e+02 1.42 1.593785230e+02 1.593785230e+02 1.44 1.476342678e+02 1.476342678e+02 1.46 1.367362972e+02 1.367362972e+02 1.48 1.266197942e+02 1.266197942e+02 1.50 1.172256072e+02 1.172256072e+02 1.52 1.084999558e+02 1.084999558e+02 1.54 1.003936570e+02 1.003936570e+02 1.56 9.286138940e+01 9.286138940e+01 1.58 8.586128622e+01 8.586128622e+01 1.60 7.935468809e+01 7.935468809e+01 1.62 7.330581134e+01 7.330581134e+01 1.64 6.768136969e+01 6.768136969e+01 1.66 6.245027619e+01 6.245027619e+01 1.68 5.758353946e+01 5.758353946e+01 1.70 5.305435005e+01 5.305435005e+01 1.72 4.883810651e+01 4.883810651e+01 1.74 4.491241370e+01 4.491241370e+01 1.76 4.125714466e+01 4.125714466e+01 1.78 3.785329541e+01 3.785329541e+01 1.80 3.468361327e+01 3.468361327e+01 1.82 3.173419204e+01 3.173419204e+01 1.84 2.899102001e+01 2.899102001e+01 1.86 2.644003719e+01 2.644003719e+01 1.88 2.406824118e+01 2.406824118e+01 1.90 2.186360736e+01 2.186360736e+01 1.92 1.981498374e+01 1.981498374e+01 1.94 1.791197410e+01 1.791197410e+01 1.96 1.614483468e+01 1.614483468e+01 1.98 1.450443308e+01 1.450443308e+01 2.00 1.298224137e+01 1.298224137e+01 2.02 1.157032052e+01 1.157032052e+01 2.04 1.026128035e+01 1.026128035e+01 2.06 9.048213851e+00 9.048213851e+00 2.08 7.924619451e+00 7.924619451e+00 2.10 6.884346427e+00 6.884346427e+00 2.12 5.921570840e+00 5.921570840e+00 2.14 5.030801417e+00 5.030801417e+00 2.16 4.206908042e+00 4.206908042e+00 2.18 3.445137569e+00 3.445137569e+00 2.20 2.741117933e+00 2.741117933e+00 2.22 2.090829504e+00 2.090829504e+00 2.24 1.490574537e+00 1.490574537e+00 2.26 9.369520570e-01 9.369520570e-01 2.28 4.268315874e-01 4.268315874e-01 2.30 -4.264725903e-02 -4.264725903e-02 2.32 -4.741152712e-01 -4.741152712e-01 2.34 -8.699863515e-01 -8.699863515e-01 2.36 -1.232504489e+00 -1.232504489e+00 2.38 -1.563776126e+00 -1.563776126e+00 2.40 -1.865800571e+00 -1.865800571e+00 2.42 -2.140497836e+00 -2.140497836e+00 2.44 -2.389720687e+00 -2.389720687e+00 2.46 -2.615284720e+00 -2.615284720e+00 2.48 -2.818983551e+00 -2.818983551e+00 2.50 -3.002410857e+00 -3.002410857e+00 2.52 -3.167083910e+00 -3.167083910e+00 2.54 -3.314447473e+00 -3.314447473e+00 2.56 -3.445866235e+00 -3.445866235e+00 2.58 -3.562623016e+00 -3.562623016e+00 2.60 -3.665918560e+00 -3.665918560e+00 2.62 -3.756788840e+00 -3.756788840e+00 2.64 -3.836058289e+00 -3.836058289e+00 2.66 -3.904489419e+00 -3.904489419e+00 2.68 -3.962837629e+00 -3.962837629e+00 2.70 -4.011753976e+00 -4.011753976e+00 2.72 -4.051814870e+00 -4.051814870e+00 2.74 -4.083563875e+00 -4.083563875e+00 2.76 -4.107516957e+00 -4.107516957e+00 2.78 -4.124164329e+00 -4.124164329e+00 2.80 -4.133980537e+00 -4.133980537e+00 2.82 -4.137411110e+00 -4.137411110e+00 2.84 -4.134878744e+00 -4.134878744e+00 2.86 -4.126746939e+00 -4.126746939e+00 2.88 -4.113343723e+00 -4.113343723e+00 2.90 -4.094992198e+00 -4.094992198e+00 2.92 -4.072012153e+00 -4.072012153e+00 2.94 -4.044721935e+00 -4.044721935e+00 2.96 -4.013440636e+00 -4.013440636e+00 2.98 -3.978490081e+00 -3.978490081e+00 3.00 -3.940195948e+00 -3.940195948e+00 3.02 -3.898887206e+00 -3.898887206e+00 3.04 -3.854891053e+00 -3.854891053e+00 3.06 -3.808536484e+00 -3.808536484e+00 3.08 -3.760256811e+00 -3.760256811e+00 3.10 -3.710365903e+00 -3.710365903e+00 3.12 -3.658973233e+00 -3.658973233e+00 3.14 -3.606195946e+00 -3.606195946e+00 3.16 -3.552142102e+00 -3.552142102e+00 3.18 -3.496918016e+00 -3.496918016e+00 3.20 -3.440626634e+00 -3.440626634e+00 3.22 -3.383370053e+00 -3.383370053e+00 3.24 -3.325253114e+00 -3.325253114e+00 3.26 -3.266390342e+00 -3.266390342e+00 3.28 -3.206915189e+00 -3.206915189e+00 3.30 -3.146970781e+00 -3.146970781e+00 3.32 -3.086706263e+00 -3.086706263e+00 3.34 -3.026272638e+00 -3.026272638e+00 3.36 -2.965816817e+00 -2.965816817e+00 3.38 -2.905475472e+00 -2.905475472e+00 3.40 -2.845369141e+00 -2.845369141e+00 3.42 -2.785604316e+00 -2.785604316e+00 3.44 -2.726265961e+00 -2.726265961e+00 3.46 -2.667424345e+00 -2.667424345e+00 3.48 -2.609136154e+00 -2.609136154e+00 3.50 -2.551447107e+00 -2.551447107e+00 3.52 -2.494394154e+00 -2.494394154e+00 3.54 -2.438007050e+00 -2.438007050e+00 3.56 -2.382309309e+00 -2.382309309e+00 3.58 -2.327318698e+00 -2.327318698e+00 3.60 -2.273047454e+00 -2.273047454e+00 3.62 -2.219502420e+00 -2.219502420e+00 3.64 -2.166685254e+00 -2.166685254e+00 3.66 -2.114592851e+00 -2.114592851e+00 3.68 -2.063218071e+00 -2.063218071e+00 3.70 -2.012550831e+00 -2.012550831e+00 3.72 -1.962579584e+00 -1.962579584e+00 3.74 -1.913293142e+00 -1.913293142e+00 3.76 -1.864682746e+00 -1.864682746e+00 3.78 -1.816744177e+00 -1.816744177e+00 3.80 -1.769479652e+00 -1.769479652e+00 3.82 -1.722899157e+00 -1.722899157e+00 3.84 -1.677020894e+00 -1.677020894e+00 3.86 -1.631870585e+00 -1.631870585e+00 3.88 -1.587479561e+00 -1.587479561e+00 3.90 -1.543881830e+00 -1.543881830e+00 3.92 -1.501109249e+00 -1.501109249e+00 3.94 -1.459193539e+00 -1.459193539e+00 3.96 -1.418154684e+00 -1.418154684e+00 3.98 -1.378005282e+00 -1.378005282e+00 4.00 -1.338748326e+00 -1.338748326e+00 4.02 -1.300377772e+00 -1.300377772e+00 4.04 -1.262879964e+00 -1.262879964e+00 4.06 -1.226235551e+00 -1.226235551e+00 4.08 -1.190421556e+00 -1.190421556e+00 4.10 -1.155409463e+00 -1.155409463e+00 4.12 -1.121183471e+00 -1.121183471e+00 4.14 -1.087716088e+00 -1.087716088e+00 4.16 -1.054987701e+00 -1.054987701e+00 4.18 -1.022982759e+00 -1.022982759e+00 4.20 -9.916905568e-01 -9.916905568e-01 4.22 -9.611057079e-01 -9.611057079e-01 4.24 -9.312282605e-01 -9.312282605e-01 4.26 -9.020633826e-01 -9.020633826e-01 4.28 -8.736205779e-01 -8.736205779e-01 4.30 -8.459124424e-01 -8.459124424e-01 4.32 -8.189530383e-01 -8.189530383e-01 4.34 -7.927560385e-01 -7.927560385e-01 4.36 -7.673328392e-01 -7.673328392e-01 4.38 -7.426908579e-01 -7.426908579e-01 4.40 -7.188322031e-01 -7.188322031e-01 4.42 -6.957528402e-01 -6.957528402e-01 4.44 -6.734422952e-01 -6.734422952e-01 4.46 -6.518838609e-01 -6.518838609e-01 4.48 -6.310552094e-01 -6.310552094e-01 4.50 -6.109292824e-01 -6.109292824e-01 4.52 -5.914753275e-01 -5.914753275e-01 4.54 -5.726599607e-01 -5.726599607e-01 4.56 -5.544481695e-01 -5.544481695e-01 4.58 -5.368041982e-01 -5.368041982e-01 4.60 -5.196922919e-01 -5.196922919e-01 4.62 -5.030772969e-01 -5.030772969e-01 4.64 -4.869251371e-01 -4.869251371e-01 4.66 -4.712031905e-01 -4.712031905e-01 4.68 -4.558806006e-01 -4.558806006e-01 4.70 -4.409285520e-01 -4.409285520e-01 4.72 -4.263205382e-01 -4.263205382e-01 4.74 -4.120326421e-01 -4.120326421e-01 4.76 -3.980438411e-01 -3.980438411e-01 4.78 -3.843363380e-01 -3.843363380e-01 4.80 -3.708927759e-01 -3.708927759e-01 4.82 -3.577096354e-01 -3.577096354e-01 4.84 -3.447770554e-01 -3.447770554e-01 4.86 -3.320933647e-01 -3.320933647e-01 4.88 -3.196613784e-01 -3.196613784e-01 4.90 -3.074882806e-01 -3.074882806e-01 4.92 -2.955852762e-01 -2.955852762e-01 4.94 -2.839669894e-01 -2.839669894e-01 4.96 -2.726506125e-01 -2.726506125e-01 4.98 -2.616548433e-01 -2.616548433e-01 5.00 -2.509986766e-01 -2.509986766e-01 5.02 -2.407001457e-01 -2.407001457e-01 5.04 -2.307751171e-01 -2.307751171e-01 5.06 -2.212362421e-01 -2.212362421e-01 5.08 -2.120921493e-01 -2.120921493e-01 5.10 -2.033469331e-01 -2.033469331e-01 5.12 -1.949999578e-01 -1.949999578e-01 5.14 -1.870459653e-01 -1.870459653e-01 5.16 -1.794754443e-01 -1.794754443e-01 5.18 -1.722752009e-01 -1.722752009e-01 5.20 -1.654289814e-01 -1.654289814e-01 5.22 -1.589182827e-01 -1.589182827e-01 5.24 -1.527234569e-01 -1.527234569e-01 5.26 -1.468241430e-01 -1.468241430e-01 5.28 -1.411999508e-01 -1.411999508e-01 5.30 -1.358310672e-01 -1.358310672e-01 5.32 -1.306987549e-01 -1.306987549e-01 5.34 -1.257857398e-01 -1.257857398e-01 5.36 -1.210764872e-01 -1.210764872e-01 5.38 -1.165573685e-01 -1.165573685e-01 5.40 -1.122167234e-01 -1.122167234e-01 5.42 -1.080448221e-01 -1.080448221e-01 5.44 -1.040337372e-01 -1.040337372e-01 5.46 -1.001771343e-01 -1.001771343e-01 5.48 -9.646999922e-02 -9.646999922e-02 5.50 -9.290832008e-02 -9.290832008e-02 5.52 -8.948874967e-02 -8.948874967e-02 5.54 -8.620827308e-02 -8.620827308e-02 5.56 -8.306390532e-02 -8.306390532e-02 5.58 -8.005243977e-02 -8.005243977e-02 5.60 -7.717024205e-02 -7.717024205e-02 5.62 -7.441306019e-02 -7.441306019e-02 5.64 -7.177624656e-02 -7.177624656e-02 5.66 -6.925460763e-02 -6.925460763e-02 5.68 -6.684243575e-02 -6.684243575e-02 5.70 -6.453361316e-02 -6.453361316e-02 5.72 -6.232173235e-02 -6.232173235e-02 5.74 -6.020021898e-02 -6.020021898e-02 5.76 -5.816244697e-02 -5.816244697e-02 5.78 -5.620183889e-02 -5.620183889e-02 5.80 -5.431194799e-02 -5.431194799e-02 5.82 -5.248652111e-02 -5.248652111e-02 5.84 -5.071954357e-02 -5.071954357e-02 5.86 -4.900526879e-02 -4.900526879e-02 5.88 -4.733823578e-02 -4.733823578e-02 5.90 -4.571327830e-02 -4.571327830e-02 5.92 -4.412552907e-02 -4.412552907e-02 5.94 -4.257042242e-02 -4.257042242e-02 5.96 -4.104369822e-02 -4.104369822e-02 5.98 -3.954140953e-02 -3.954140953e-02 6.00 -3.805993585e-02 -3.805993585e-02