# 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 = Co2PtZr # 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 2.750000222e+02 2.750000222e+02 1.30 2.554270342e+02 2.554270342e+02 1.32 2.372341208e+02 2.372341208e+02 1.34 2.203205324e+02 2.203205324e+02 1.36 2.045981256e+02 2.045981256e+02 1.38 1.899817857e+02 1.899817857e+02 1.40 1.763850828e+02 1.763850828e+02 1.42 1.637229452e+02 1.637229452e+02 1.44 1.519167077e+02 1.519167077e+02 1.46 1.408980315e+02 1.408980315e+02 1.48 1.306097252e+02 1.306097252e+02 1.50 1.210032162e+02 1.210032162e+02 1.52 1.120344072e+02 1.120344072e+02 1.54 1.036606881e+02 1.036606881e+02 1.56 9.583966147e+01 9.583966147e+01 1.58 8.852953669e+01 8.852953669e+01 1.60 8.169026993e+01 8.169026993e+01 1.62 7.528487321e+01 7.528487321e+01 1.64 6.928037449e+01 6.928037449e+01 1.66 6.364828368e+01 6.364828368e+01 1.68 5.836438768e+01 5.836438768e+01 1.70 5.340780533e+01 5.340780533e+01 1.72 4.875996008e+01 4.875996008e+01 1.74 4.440357401e+01 4.440357401e+01 1.76 4.032180653e+01 4.032180653e+01 1.78 3.649780334e+01 3.649780334e+01 1.80 3.291528259e+01 3.291528259e+01 1.82 2.955841542e+01 2.955841542e+01 1.84 2.644304375e+01 2.644304375e+01 1.86 2.358257734e+01 2.358257734e+01 1.88 2.095612607e+01 2.095612607e+01 1.90 1.854410562e+01 1.854410562e+01 1.92 1.632847344e+01 1.632847344e+01 1.94 1.429290407e+01 1.429290407e+01 1.96 1.242279735e+01 1.242279735e+01 1.98 1.070515409e+01 1.070515409e+01 2.00 9.128323699e+00 9.128323699e+00 2.02 7.681714387e+00 7.681714387e+00 2.04 6.355571636e+00 6.355571636e+00 2.06 5.140850284e+00 5.140850284e+00 2.08 4.029158155e+00 4.029158155e+00 2.10 3.012678127e+00 3.012678127e+00 2.12 2.084129664e+00 2.084129664e+00 2.14 1.236714923e+00 1.236714923e+00 2.16 4.641049079e-01 4.641049079e-01 2.18 -2.395603330e-01 -2.395603330e-01 2.20 -8.796619732e-01 -8.796619732e-01 2.22 -1.461119169e+00 -1.461119169e+00 2.24 -1.988413711e+00 -1.988413711e+00 2.26 -2.465621213e+00 -2.465621213e+00 2.28 -2.896434338e+00 -2.896434338e+00 2.30 -3.284198451e+00 -3.284198451e+00 2.32 -3.631953028e+00 -3.631953028e+00 2.34 -3.942462637e+00 -3.942462637e+00 2.36 -4.218281737e+00 -4.218281737e+00 2.38 -4.461801849e+00 -4.461801849e+00 2.40 -4.675296696e+00 -4.675296696e+00 2.42 -4.860963905e+00 -4.860963905e+00 2.44 -5.020950415e+00 -5.020950415e+00 2.46 -5.157374858e+00 -5.157374858e+00 2.48 -5.272331435e+00 -5.272331435e+00 2.50 -5.367879317e+00 -5.367879317e+00 2.52 -5.446018733e+00 -5.446018733e+00 2.54 -5.508718514e+00 -5.508718514e+00 2.56 -5.557728822e+00 -5.557728822e+00 2.58 -5.594899257e+00 -5.594899257e+00 2.60 -5.622731531e+00 -5.622731531e+00 2.62 -5.642131070e+00 -5.642131070e+00 2.64 -5.653726974e+00 -5.653726974e+00 2.66 -5.658030863e+00 -5.658030863e+00 2.68 -5.655459820e+00 -5.655459820e+00 2.70 -5.646266685e+00 -5.646266685e+00 2.72 -5.630594712e+00 -5.630594712e+00 2.74 -5.608606129e+00 -5.608606129e+00 2.76 -5.580491190e+00 -5.580491190e+00 2.78 -5.546490876e+00 -5.546490876e+00 2.80 -5.506891591e+00 -5.506891591e+00 2.82 -5.461888364e+00 -5.461888364e+00 2.84 -5.411697953e+00 -5.411697953e+00 2.86 -5.356562251e+00 -5.356562251e+00 2.88 -5.296751641e+00 -5.296751641e+00 2.90 -5.232571695e+00 -5.232571695e+00 2.92 -5.164370797e+00 -5.164370797e+00 2.94 -5.092545492e+00 -5.092545492e+00 2.96 -5.017540035e+00 -5.017540035e+00 2.98 -4.939815404e+00 -4.939815404e+00 3.00 -4.859794173e+00 -4.859794173e+00 3.02 -4.777902629e+00 -4.777902629e+00 3.04 -4.694552973e+00 -4.694552973e+00 3.06 -4.610131703e+00 -4.610131703e+00 3.08 -4.524961029e+00 -4.524961029e+00 3.10 -4.439305979e+00 -4.439305979e+00 3.12 -4.353369738e+00 -4.353369738e+00 3.14 -4.267310213e+00 -4.267310213e+00 3.16 -4.181238902e+00 -4.181238902e+00 3.18 -4.095242739e+00 -4.095242739e+00 3.20 -4.009392512e+00 -4.009392512e+00 3.22 -3.923751646e+00 -3.923751646e+00 3.24 -3.838383058e+00 -3.838383058e+00 3.26 -3.753354451e+00 -3.753354451e+00 3.28 -3.668741955e+00 -3.668741955e+00 3.30 -3.584631595e+00 -3.584631595e+00 3.32 -3.501118062e+00 -3.501118062e+00 3.34 -3.418300848e+00 -3.418300848e+00 3.36 -3.336278669e+00 -3.336278669e+00 3.38 -3.255153501e+00 -3.255153501e+00 3.40 -3.175061734e+00 -3.175061734e+00 3.42 -3.096131812e+00 -3.096131812e+00 3.44 -3.018460909e+00 -3.018460909e+00 3.46 -2.942123263e+00 -2.942123263e+00 3.48 -2.867172654e+00 -2.867172654e+00 3.50 -2.793645834e+00 -2.793645834e+00 3.52 -2.721565275e+00 -2.721565275e+00 3.54 -2.650941152e+00 -2.650941152e+00 3.56 -2.581772695e+00 -2.581772695e+00 3.58 -2.514049114e+00 -2.514049114e+00 3.60 -2.447750364e+00 -2.447750364e+00 3.62 -2.382847947e+00 -2.382847947e+00 3.64 -2.319305950e+00 -2.319305950e+00 3.66 -2.257082411e+00 -2.257082411e+00 3.68 -2.196131081e+00 -2.196131081e+00 3.70 -2.136403558e+00 -2.136403558e+00 3.72 -2.077851725e+00 -2.077851725e+00 3.74 -2.020430331e+00 -2.020430331e+00 3.76 -1.964099524e+00 -1.964099524e+00 3.78 -1.908827079e+00 -1.908827079e+00 3.80 -1.854590029e+00 -1.854590029e+00 3.82 -1.801375412e+00 -1.801375412e+00 3.84 -1.749179900e+00 -1.749179900e+00 3.86 -1.698008183e+00 -1.698008183e+00 3.88 -1.647870194e+00 -1.647870194e+00 3.90 -1.598777492e+00 -1.598777492e+00 3.92 -1.550738227e+00 -1.550738227e+00 3.94 -1.503758313e+00 -1.503758313e+00 3.96 -1.457831409e+00 -1.457831409e+00 3.98 -1.412943171e+00 -1.412943171e+00 4.00 -1.369070347e+00 -1.369070347e+00 4.02 -1.326182766e+00 -1.326182766e+00 4.04 -1.284246401e+00 -1.284246401e+00 4.06 -1.243227032e+00 -1.243227032e+00 4.08 -1.203094014e+00 -1.203094014e+00 4.10 -1.163820117e+00 -1.163820117e+00 4.12 -1.125399370e+00 -1.125399370e+00 4.14 -1.087825048e+00 -1.087825048e+00 4.16 -1.051107088e+00 -1.051107088e+00 4.18 -1.015267028e+00 -1.015267028e+00 4.20 -9.803361989e-01 -9.803361989e-01 4.22 -9.463528378e-01 -9.463528378e-01 4.24 -9.133584148e-01 -9.133584148e-01 4.26 -8.813935449e-01 -8.813935449e-01 4.28 -8.504939142e-01 -8.504939142e-01 4.30 -8.206866369e-01 -8.206866369e-01 4.32 -7.919873889e-01 -7.919873889e-01 4.34 -7.643985524e-01 -7.643985524e-01 4.36 -7.379084657e-01 -7.379084657e-01 4.38 -7.124917400e-01 -7.124917400e-01 4.40 -6.881104872e-01 -6.881104872e-01 4.42 -6.647162226e-01 -6.647162226e-01 4.44 -6.422521679e-01 -6.422521679e-01 4.46 -6.206556926e-01 -6.206556926e-01 4.48 -5.998606680e-01 -5.998606680e-01 4.50 -5.797995818e-01 -5.797995818e-01 4.52 -5.604053258e-01 -5.604053258e-01 4.54 -5.416126404e-01 -5.416126404e-01 4.56 -5.233592443e-01 -5.233592443e-01 4.58 -5.055867103e-01 -5.055867103e-01 4.60 -4.882411605e-01 -4.882411605e-01 4.62 -4.712738525e-01 -4.712738525e-01 4.64 -4.546417144e-01 -4.546417144e-01 4.66 -4.383078688e-01 -4.383078688e-01 4.68 -4.222421599e-01 -4.222421599e-01 4.70 -4.064216739e-01 -4.064216739e-01 4.72 -3.908312186e-01 -3.908312186e-01 4.74 -3.754637031e-01 -3.754637031e-01 4.76 -3.603203503e-01 -3.603203503e-01 4.78 -3.454106613e-01 -3.454106613e-01 4.80 -3.307489143e-01 -3.307489143e-01 4.82 -3.163665754e-01 -3.163665754e-01 4.84 -3.022905956e-01 -3.022905956e-01 4.86 -2.885563344e-01 -2.885563344e-01 4.88 -2.752019756e-01 -2.752019756e-01 4.90 -2.622665340e-01 -2.622665340e-01 4.92 -2.497877874e-01 -2.497877874e-01 4.94 -2.378002769e-01 -2.378002769e-01 4.96 -2.263335208e-01 -2.263335208e-01 4.98 -2.154105637e-01 -2.154105637e-01 5.00 -2.050469536e-01 -2.050469536e-01 5.02 -1.952502009e-01 -1.952502009e-01 5.04 -1.860197235e-01 -1.860197235e-01 5.06 -1.773472429e-01 -1.773472429e-01 5.08 -1.692174509e-01 -1.692174509e-01 5.10 -1.616091618e-01 -1.616091618e-01 5.12 -1.544968208e-01 -1.544968208e-01 5.14 -1.478514533e-01 -1.478514533e-01 5.16 -1.416419202e-01 -1.416419202e-01 5.18 -1.358360727e-01 -1.358360727e-01 5.20 -1.304017436e-01 -1.304017436e-01 5.22 -1.253075530e-01 -1.253075530e-01 5.24 -1.205235222e-01 -1.205235222e-01 5.26 -1.160215096e-01 -1.160215096e-01 5.28 -1.117754891e-01 -1.117754891e-01 5.30 -1.077616978e-01 -1.077616978e-01 5.32 -1.039586793e-01 -1.039586793e-01 5.34 -1.003472479e-01 -1.003472479e-01 5.36 -9.691039405e-02 -9.691039405e-02 5.38 -9.363314789e-02 -9.363314789e-02 5.40 -9.050241523e-02 -9.050241523e-02 5.42 -8.750679457e-02 -8.750679457e-02 5.44 -8.463638379e-02 -8.463638379e-02 5.46 -8.188258136e-02 -8.188258136e-02 5.48 -7.923789133e-02 -7.923789133e-02 5.50 -7.669573876e-02 -7.669573876e-02 5.52 -7.425028847e-02 -7.425028847e-02 5.54 -7.189628502e-02 -7.189628502e-02 5.56 -6.962891363e-02 -6.962891363e-02 5.58 -6.744368459e-02 -6.744368459e-02 5.60 -6.533659966e-02 -6.533659966e-02 5.62 -6.330385582e-02 -6.330385582e-02 5.64 -6.134114836e-02 -6.134114836e-02 5.66 -5.944436787e-02 -5.944436787e-02 5.68 -5.760957753e-02 -5.760957753e-02 5.70 -5.583298235e-02 -5.583298235e-02 5.72 -5.411090750e-02 -5.411090750e-02 5.74 -5.243978390e-02 -5.243978390e-02 5.76 -5.081613887e-02 -5.081613887e-02 5.78 -4.923659024e-02 -4.923659024e-02 5.80 -4.769784239e-02 -4.769784239e-02 5.82 -4.619668367e-02 -4.619668367e-02 5.84 -4.472998463e-02 -4.472998463e-02 5.86 -4.329469719e-02 -4.329469719e-02 5.88 -4.188785529e-02 -4.188785529e-02 5.90 -4.050657749e-02 -4.050657749e-02 5.92 -3.914807240e-02 -3.914807240e-02 5.94 -3.780964790e-02 -3.780964790e-02 5.96 -3.648872478e-02 -3.648872478e-02 5.98 -3.518285586e-02 -3.518285586e-02 6.00 -3.388975114e-02 -3.388975114e-02