# 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 = FePbPd2 # 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 3.263155345e+02 3.263155345e+02 1.30 3.024682843e+02 3.024682843e+02 1.32 2.803859774e+02 2.803859774e+02 1.34 2.599300819e+02 2.599300819e+02 1.36 2.409712957e+02 2.409712957e+02 1.38 2.233898054e+02 2.233898054e+02 1.40 2.070757696e+02 2.070757696e+02 1.42 1.919289958e+02 1.919289958e+02 1.44 1.778581191e+02 1.778581191e+02 1.46 1.647799194e+02 1.647799194e+02 1.48 1.526187004e+02 1.526187004e+02 1.50 1.413053735e+02 1.413053735e+02 1.52 1.307763443e+02 1.307763443e+02 1.54 1.209725824e+02 1.209725824e+02 1.56 1.118391782e+02 1.118391782e+02 1.58 1.033252924e+02 1.033252924e+02 1.60 9.538428690e+01 9.538428690e+01 1.62 8.797381695e+01 8.797381695e+01 1.64 8.105577746e+01 8.105577746e+01 1.66 7.459605535e+01 7.459605535e+01 1.68 6.856912463e+01 6.856912463e+01 1.70 6.298388518e+01 6.298388518e+01 1.72 5.781787434e+01 5.781787434e+01 1.74 5.304131464e+01 5.304131464e+01 1.76 4.862570246e+01 4.862570246e+01 1.78 4.454388791e+01 4.454388791e+01 1.80 4.077033597e+01 4.077033597e+01 1.82 3.728134845e+01 3.728134845e+01 1.84 3.405514854e+01 3.405514854e+01 1.86 3.107178621e+01 3.107178621e+01 1.88 2.831294649e+01 2.831294649e+01 1.90 2.576173318e+01 2.576173318e+01 1.92 2.340251237e+01 2.340251237e+01 1.94 2.122081165e+01 2.122081165e+01 1.96 1.920326035e+01 1.920326035e+01 1.98 1.733752470e+01 1.733752470e+01 2.00 1.561222824e+01 1.561222824e+01 2.02 1.401686958e+01 1.401686958e+01 2.04 1.254175069e+01 1.254175069e+01 2.06 1.117792332e+01 1.117792332e+01 2.08 9.917147700e+00 9.917147700e+00 2.10 8.751859851e+00 8.751859851e+00 2.12 7.675132034e+00 7.675132034e+00 2.14 6.680627345e+00 6.680627345e+00 2.16 5.762545803e+00 5.762545803e+00 2.18 4.915567255e+00 4.915567255e+00 2.20 4.134794770e+00 4.134794770e+00 2.22 3.415706787e+00 3.415706787e+00 2.24 2.754116896e+00 2.754116896e+00 2.26 2.146141130e+00 2.146141130e+00 2.28 1.588165608e+00 1.588165608e+00 2.30 1.076821148e+00 1.076821148e+00 2.32 6.089488031e-01 6.089488031e-01 2.34 1.815743523e-01 1.815743523e-01 2.36 -2.081184175e-01 -2.081184175e-01 2.38 -5.628047661e-01 -5.628047661e-01 2.40 -8.850279566e-01 -8.850279566e-01 2.42 -1.177201030e+00 -1.177201030e+00 2.44 -1.441605428e+00 -1.441605428e+00 2.46 -1.680389791e+00 -1.680389791e+00 2.48 -1.895570434e+00 -1.895570434e+00 2.50 -2.089031735e+00 -2.089031735e+00 2.52 -2.262524199e+00 -2.262524199e+00 2.54 -2.417660099e+00 -2.417660099e+00 2.56 -2.555909565e+00 -2.555909565e+00 2.58 -2.678600982e+00 -2.678600982e+00 2.60 -2.786932580e+00 -2.786932580e+00 2.62 -2.882526998e+00 -2.882526998e+00 2.64 -2.966440747e+00 -2.966440747e+00 2.66 -3.039199269e+00 -3.039199269e+00 2.68 -3.101321092e+00 -3.101321092e+00 2.70 -3.153304983e+00 -3.153304983e+00 2.72 -3.195633493e+00 -3.195633493e+00 2.74 -3.228771950e+00 -3.228771950e+00 2.76 -3.253168828e+00 -3.253168828e+00 2.78 -3.269291315e+00 -3.269291315e+00 2.80 -3.277672161e+00 -3.277672161e+00 2.82 -3.278835827e+00 -3.278835827e+00 2.84 -3.273289610e+00 -3.273289610e+00 2.86 -3.261471368e+00 -3.261471368e+00 2.88 -3.243816177e+00 -3.243816177e+00 2.90 -3.220796743e+00 -3.220796743e+00 2.92 -3.192915176e+00 -3.192915176e+00 2.94 -3.160687615e+00 -3.160687615e+00 2.96 -3.124624281e+00 -3.124624281e+00 2.98 -3.085208920e+00 -3.085208920e+00 3.00 -3.042881928e+00 -3.042881928e+00 3.02 -2.998062209e+00 -2.998062209e+00 3.04 -2.951076301e+00 -2.951076301e+00 3.06 -2.902164980e+00 -2.902164980e+00 3.08 -2.851540020e+00 -2.851540020e+00 3.10 -2.799394901e+00 -2.799394901e+00 3.12 -2.745912155e+00 -2.745912155e+00 3.14 -2.691274387e+00 -2.691274387e+00 3.16 -2.635664975e+00 -2.635664975e+00 3.18 -2.579271817e+00 -2.579271817e+00 3.20 -2.522283096e+00 -2.522283096e+00 3.22 -2.464895355e+00 -2.464895355e+00 3.24 -2.407310982e+00 -2.407310982e+00 3.26 -2.349733269e+00 -2.349733269e+00 3.28 -2.292361020e+00 -2.292361020e+00 3.30 -2.235383241e+00 -2.235383241e+00 3.32 -2.178974308e+00 -2.178974308e+00 3.34 -2.123289902e+00 -2.123289902e+00 3.36 -2.068463895e+00 -2.068463895e+00 3.38 -2.014606367e+00 -2.014606367e+00 3.40 -1.961802646e+00 -1.961802646e+00 3.42 -1.910114520e+00 -1.910114520e+00 3.44 -1.859580564e+00 -1.859580564e+00 3.46 -1.810219431e+00 -1.810219431e+00 3.48 -1.762032636e+00 -1.762032636e+00 3.50 -1.715007865e+00 -1.715007865e+00 3.52 -1.669122285e+00 -1.669122285e+00 3.54 -1.624345647e+00 -1.624345647e+00 3.56 -1.580643034e+00 -1.580643034e+00 3.58 -1.537977196e+00 -1.537977196e+00 3.60 -1.496310447e+00 -1.496310447e+00 3.62 -1.455606137e+00 -1.455606137e+00 3.64 -1.415829736e+00 -1.415829736e+00 3.66 -1.376949536e+00 -1.376949536e+00 3.68 -1.338937006e+00 -1.338937006e+00 3.70 -1.301766787e+00 -1.301766787e+00 3.72 -1.265416370e+00 -1.265416370e+00 3.74 -1.229865492e+00 -1.229865492e+00 3.76 -1.195095342e+00 -1.195095342e+00 3.78 -1.161087691e+00 -1.161087691e+00 3.80 -1.127824100e+00 -1.127824100e+00 3.82 -1.095285323e+00 -1.095285323e+00 3.84 -1.063451022e+00 -1.063451022e+00 3.86 -1.032299812e+00 -1.032299812e+00 3.88 -1.001809653e+00 -1.001809653e+00 3.90 -9.719584983e-01 -9.719584983e-01 3.92 -9.427247366e-01 -9.427247366e-01 3.94 -9.140898526e-01 -9.140898526e-01 3.96 -8.860367152e-01 -8.860367152e-01 3.98 -8.585524054e-01 -8.585524054e-01 4.00 -8.316285340e-01 -8.316285340e-01 4.02 -8.052618675e-01 -8.052618675e-01 4.04 -7.794546724e-01 -7.794546724e-01 4.06 -7.542146851e-01 -7.542146851e-01 4.08 -7.295546268e-01 -7.295546268e-01 4.10 -7.054902294e-01 -7.054902294e-01 4.12 -6.820428977e-01 -6.820428977e-01 4.14 -6.592313272e-01 -6.592313272e-01 4.16 -6.370739763e-01 -6.370739763e-01 4.18 -6.155857464e-01 -6.155857464e-01 4.20 -5.947761131e-01 -5.947761131e-01 4.22 -5.746477092e-01 -5.746477092e-01 4.24 -5.551955061e-01 -5.551955061e-01 4.26 -5.364066398e-01 -5.364066398e-01 4.28 -5.182608363e-01 -5.182608363e-01 4.30 -5.007313121e-01 -5.007313121e-01 4.32 -4.837859863e-01 -4.837859863e-01 4.34 -4.673888370e-01 -4.673888370e-01 4.36 -4.515012537e-01 -4.515012537e-01 4.38 -4.360832843e-01 -4.360832843e-01 4.40 -4.210947152e-01 -4.210947152e-01 4.42 -4.064959669e-01 -4.064959669e-01 4.44 -3.922488198e-01 -3.922488198e-01 4.46 -3.783170037e-01 -3.783170037e-01 4.48 -3.646666961e-01 -3.646666961e-01 4.50 -3.512669753e-01 -3.512669753e-01 4.52 -3.380902675e-01 -3.380902675e-01 4.54 -3.251128177e-01 -3.251128177e-01 4.56 -3.123151998e-01 -3.123151998e-01 4.58 -2.996828599e-01 -2.996828599e-01 4.60 -2.872066714e-01 -2.872066714e-01 4.62 -2.748834574e-01 -2.748834574e-01 4.64 -2.627164185e-01 -2.627164185e-01 4.66 -2.507153890e-01 -2.507153890e-01 4.68 -2.388968387e-01 -2.388968387e-01 4.70 -2.272835457e-01 -2.272835457e-01 4.72 -2.159038809e-01 -2.159038809e-01 4.74 -2.047906863e-01 -2.047906863e-01 4.76 -1.939797691e-01 -1.939797691e-01 4.78 -1.835080939e-01 -1.835080939e-01 4.80 -1.734110237e-01 -1.734110237e-01 4.82 -1.637235424e-01 -1.637235424e-01 4.84 -1.544733904e-01 -1.544733904e-01 4.86 -1.456830641e-01 -1.456830641e-01 4.88 -1.373678408e-01 -1.373678408e-01 4.90 -1.295352383e-01 -1.295352383e-01 4.92 -1.221850085e-01 -1.221850085e-01 4.94 -1.153096038e-01 -1.153096038e-01 4.96 -1.088950180e-01 -1.088950180e-01 4.98 -1.029218844e-01 -1.029218844e-01 5.00 -9.736671638e-02 -9.736671638e-02 5.02 -9.220317275e-02 -9.220317275e-02 5.04 -8.740280441e-02 -8.740280441e-02 5.06 -8.293687213e-02 -8.293687213e-02 5.08 -7.877763237e-02 -7.877763237e-02 5.10 -7.489813142e-02 -7.489813142e-02 5.12 -7.127284448e-02 -7.127284448e-02 5.14 -6.787811850e-02 -6.787811850e-02 5.16 -6.469244136e-02 -6.469244136e-02 5.18 -6.169656574e-02 -6.169656574e-02 5.20 -5.887351845e-02 -5.887351845e-02 5.22 -5.620851700e-02 -5.620851700e-02 5.24 -5.368881621e-02 -5.368881621e-02 5.26 -5.130350420e-02 -5.130350420e-02 5.28 -4.904326522e-02 -4.904326522e-02 5.30 -4.690004615e-02 -4.690004615e-02 5.32 -4.486680328e-02 -4.486680328e-02 5.34 -4.293759340e-02 -4.293759340e-02 5.36 -4.110706856e-02 -4.110706856e-02 5.38 -3.937027112e-02 -3.937027112e-02 5.40 -3.772248196e-02 -3.772248196e-02 5.42 -3.615910630e-02 -3.615910630e-02 5.44 -3.467559690e-02 -3.467559690e-02 5.46 -3.326741136e-02 -3.326741136e-02 5.48 -3.192999807e-02 -3.192999807e-02 5.50 -3.065880427e-02 -3.065880427e-02 5.52 -2.944929946e-02 -2.944929946e-02 5.54 -2.829700771e-02 -2.829700771e-02 5.56 -2.719754346e-02 -2.719754346e-02 5.58 -2.614664676e-02 -2.614664676e-02 5.60 -2.514021484e-02 -2.514021484e-02 5.62 -2.417432864e-02 -2.417432864e-02 5.64 -2.324527449e-02 -2.324527449e-02 5.66 -2.234955874e-02 -2.234955874e-02 5.68 -2.148391816e-02 -2.148391816e-02 5.70 -2.064532654e-02 -2.064532654e-02 5.72 -1.983099848e-02 -1.983099848e-02 5.74 -1.903839169e-02 -1.903839169e-02 5.76 -1.826520856e-02 -1.826520856e-02 5.78 -1.750939798e-02 -1.750939798e-02 5.80 -1.676915779e-02 -1.676915779e-02 5.82 -1.604293831e-02 -1.604293831e-02 5.84 -1.532944675e-02 -1.532944675e-02 5.86 -1.462765228e-02 -1.462765228e-02 5.88 -1.393679119e-02 -1.393679119e-02 5.90 -1.325637105e-02 -1.325637105e-02 5.92 -1.258617303e-02 -1.258617303e-02 5.94 -1.192624366e-02 -1.192624366e-02 5.96 -1.127686292e-02 -1.127686292e-02 5.98 -1.063861046e-02 -1.063861046e-02 6.00 -1.001231111e-02 -1.001231111e-02