# 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 = AgCoPb2 # 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 3.202596581e+02 3.202596581e+02 1.30 2.983526518e+02 2.983526518e+02 1.32 2.780084978e+02 2.780084978e+02 1.34 2.591029984e+02 2.591029984e+02 1.36 2.415220012e+02 2.415220012e+02 1.38 2.251606936e+02 2.251606936e+02 1.40 2.099235811e+02 2.099235811e+02 1.42 1.957246164e+02 1.957246164e+02 1.44 1.824867169e+02 1.824867169e+02 1.46 1.701405862e+02 1.701405862e+02 1.48 1.586231530e+02 1.586231530e+02 1.50 1.478760238e+02 1.478760238e+02 1.52 1.378444214e+02 1.378444214e+02 1.54 1.284769004e+02 1.284769004e+02 1.56 1.197254662e+02 1.197254662e+02 1.58 1.115457382e+02 1.115457382e+02 1.60 1.038969321e+02 1.038969321e+02 1.62 9.674176063e+01 9.674176063e+01 1.64 9.004624341e+01 9.004624341e+01 1.66 8.377945956e+01 8.377945956e+01 1.68 7.791351608e+01 7.791351608e+01 1.70 7.243460444e+01 7.243460444e+01 1.72 6.732270730e+01 6.732270730e+01 1.74 6.255261360e+01 6.255261360e+01 1.76 5.810049228e+01 5.810049228e+01 1.78 5.394398898e+01 5.394398898e+01 1.80 5.006232163e+01 5.006232163e+01 1.82 4.643634148e+01 4.643634148e+01 1.84 4.304851446e+01 4.304851446e+01 1.86 3.988281326e+01 3.988281326e+01 1.88 3.692455790e+01 3.692455790e+01 1.90 3.416022628e+01 3.416022628e+01 1.92 3.157727669e+01 3.157727669e+01 1.94 2.916404855e+01 2.916404855e+01 1.96 2.690968970e+01 2.690968970e+01 1.98 2.480409934e+01 2.480409934e+01 2.00 2.283783868e+01 2.283783868e+01 2.02 2.100202572e+01 2.100202572e+01 2.04 1.928825258e+01 1.928825258e+01 2.06 1.768855714e+01 1.768855714e+01 2.08 1.619544294e+01 1.619544294e+01 2.10 1.480190331e+01 1.480190331e+01 2.12 1.350143717e+01 1.350143717e+01 2.14 1.228802772e+01 1.228802772e+01 2.16 1.115610410e+01 1.115610410e+01 2.18 1.010049722e+01 1.010049722e+01 2.20 9.116395514e+00 9.116395514e+00 2.22 8.199311704e+00 8.199311704e+00 2.24 7.345054154e+00 7.345054154e+00 2.26 6.549702378e+00 6.549702378e+00 2.28 5.809586290e+00 5.809586290e+00 2.30 5.121263080e+00 5.121263080e+00 2.32 4.481492322e+00 4.481492322e+00 2.34 3.887222979e+00 3.887222979e+00 2.36 3.335567639e+00 3.335567639e+00 2.38 2.823787636e+00 2.823787636e+00 2.40 2.349281217e+00 2.349281217e+00 2.42 1.909578526e+00 1.909578526e+00 2.44 1.502342789e+00 1.502342789e+00 2.46 1.125377181e+00 1.125377181e+00 2.48 7.766328102e-01 7.766328102e-01 2.50 4.542143192e-01 4.542143192e-01 2.52 1.563798647e-01 1.563798647e-01 2.54 -1.184667416e-01 -1.184667416e-01 2.56 -3.718250352e-01 -3.718250352e-01 2.58 -6.050375839e-01 -6.050375839e-01 2.60 -8.193276822e-01 -8.193276822e-01 2.62 -1.015852923e+00 -1.015852923e+00 2.64 -1.195718912e+00 -1.195718912e+00 2.66 -1.359976581e+00 -1.359976581e+00 2.68 -1.509626790e+00 -1.509626790e+00 2.70 -1.645617513e+00 -1.645617513e+00 2.72 -1.768842055e+00 -1.768842055e+00 2.74 -1.880113883e+00 -1.880113883e+00 2.76 -1.980167268e+00 -1.980167268e+00 2.78 -2.069696175e+00 -2.069696175e+00 2.80 -2.149358617e+00 -2.149358617e+00 2.82 -2.219775090e+00 -2.219775090e+00 2.84 -2.281531039e+00 -2.281531039e+00 2.86 -2.335177602e+00 -2.335177602e+00 2.88 -2.381233258e+00 -2.381233258e+00 2.90 -2.420216752e+00 -2.420216752e+00 2.92 -2.452651923e+00 -2.452651923e+00 2.94 -2.478901526e+00 -2.478901526e+00 2.96 -2.499314602e+00 -2.499314602e+00 2.98 -2.514240593e+00 -2.514240593e+00 3.00 -2.524031838e+00 -2.524031838e+00 3.02 -2.529044921e+00 -2.529044921e+00 3.04 -2.529639281e+00 -2.529639281e+00 3.06 -2.526176981e+00 -2.526176981e+00 3.08 -2.519014743e+00 -2.519014743e+00 3.10 -2.508505205e+00 -2.508505205e+00 3.12 -2.494986268e+00 -2.494986268e+00 3.14 -2.478840968e+00 -2.478840968e+00 3.16 -2.460332341e+00 -2.460332341e+00 3.18 -2.439668753e+00 -2.439668753e+00 3.20 -2.417052373e+00 -2.417052373e+00 3.22 -2.392676504e+00 -2.392676504e+00 3.24 -2.366722902e+00 -2.366722902e+00 3.26 -2.339359462e+00 -2.339359462e+00 3.28 -2.310738807e+00 -2.310738807e+00 3.30 -2.280995078e+00 -2.280995078e+00 3.32 -2.250232851e+00 -2.250232851e+00 3.34 -2.218541932e+00 -2.218541932e+00 3.36 -2.186006817e+00 -2.186006817e+00 3.38 -2.152708090e+00 -2.152708090e+00 3.40 -2.118723339e+00 -2.118723339e+00 3.42 -2.084129155e+00 -2.084129155e+00 3.44 -2.048999341e+00 -2.048999341e+00 3.46 -2.013406152e+00 -2.013406152e+00 3.48 -1.977419498e+00 -1.977419498e+00 3.50 -1.941106422e+00 -1.941106422e+00 3.52 -1.904530626e+00 -1.904530626e+00 3.54 -1.867752133e+00 -1.867752133e+00 3.56 -1.830827190e+00 -1.830827190e+00 3.58 -1.793808426e+00 -1.793808426e+00 3.60 -1.756745286e+00 -1.756745286e+00 3.62 -1.719684713e+00 -1.719684713e+00 3.64 -1.682671985e+00 -1.682671985e+00 3.66 -1.645751598e+00 -1.645751598e+00 3.68 -1.608968044e+00 -1.608968044e+00 3.70 -1.572366308e+00 -1.572366308e+00 3.72 -1.535991964e+00 -1.535991964e+00 3.74 -1.499890791e+00 -1.499890791e+00 3.76 -1.464107944e+00 -1.464107944e+00 3.78 -1.428686807e+00 -1.428686807e+00 3.80 -1.393667738e+00 -1.393667738e+00 3.82 -1.359086938e+00 -1.359086938e+00 3.84 -1.324975632e+00 -1.324975632e+00 3.86 -1.291359679e+00 -1.291359679e+00 3.88 -1.258259606e+00 -1.258259606e+00 3.90 -1.225690998e+00 -1.225690998e+00 3.92 -1.193664345e+00 -1.193664345e+00 3.94 -1.162188918e+00 -1.162188918e+00 3.96 -1.131268432e+00 -1.131268432e+00 3.98 -1.100905136e+00 -1.100905136e+00 4.00 -1.071099330e+00 -1.071099330e+00 4.02 -1.041849719e+00 -1.041849719e+00 4.04 -1.013153671e+00 -1.013153671e+00 4.06 -9.850074541e-01 -9.850074541e-01 4.08 -9.574064739e-01 -9.574064739e-01 4.10 -9.303436057e-01 -9.303436057e-01 4.12 -9.038177027e-01 -9.038177027e-01 4.14 -8.778211729e-01 -8.778211729e-01 4.16 -8.523494679e-01 -8.523494679e-01 4.18 -8.273991946e-01 -8.273991946e-01 4.20 -8.029685854e-01 -8.029685854e-01 4.22 -7.790578687e-01 -7.790578687e-01 4.24 -7.556694637e-01 -7.556694637e-01 4.26 -7.328079297e-01 -7.328079297e-01 4.28 -7.104796251e-01 -7.104796251e-01 4.30 -6.886920715e-01 -6.886920715e-01 4.32 -6.674530721e-01 -6.674530721e-01 4.34 -6.467696821e-01 -6.467696821e-01 4.36 -6.266471615e-01 -6.266471615e-01 4.38 -6.070880481e-01 -6.070880481e-01 4.40 -5.880914665e-01 -5.880914665e-01 4.42 -5.696527402e-01 -5.696527402e-01 4.44 -5.517633244e-01 -5.517633244e-01 4.46 -5.344110219e-01 -5.344110219e-01 4.48 -5.175804160e-01 -5.175804160e-01 4.50 -5.012534339e-01 -5.012534339e-01 4.52 -4.854099636e-01 -4.854099636e-01 4.54 -4.700284553e-01 -4.700284553e-01 4.56 -4.550864660e-01 -4.550864660e-01 4.58 -4.405611226e-01 -4.405611226e-01 4.60 -4.264294979e-01 -4.264294979e-01 4.62 -4.126689098e-01 -4.126689098e-01 4.64 -3.992571599e-01 -3.992571599e-01 4.66 -3.861727335e-01 -3.861727335e-01 4.68 -3.733949830e-01 -3.733949830e-01 4.70 -3.609043171e-01 -3.609043171e-01 4.72 -3.486824116e-01 -3.486824116e-01 4.74 -3.367124549e-01 -3.367124549e-01 4.76 -3.249794340e-01 -3.249794340e-01 4.78 -3.134704567e-01 -3.134704567e-01 4.80 -3.021735971e-01 -3.021735971e-01 4.82 -2.910844882e-01 -2.910844882e-01 4.84 -2.801968771e-01 -2.801968771e-01 4.86 -2.695096661e-01 -2.695096661e-01 4.88 -2.590252451e-01 -2.590252451e-01 4.90 -2.487494390e-01 -2.487494390e-01 4.92 -2.386912483e-01 -2.386912483e-01 4.94 -2.288623671e-01 -2.288623671e-01 4.96 -2.192764855e-01 -2.192764855e-01 4.98 -2.099484193e-01 -2.099484193e-01 5.00 -2.008931333e-01 -2.008931333e-01 5.02 -1.921247490e-01 -1.921247490e-01 5.04 -1.836556341e-01 -1.836556341e-01 5.06 -1.754956582e-01 -1.754956582e-01 5.08 -1.676516820e-01 -1.676516820e-01 5.10 -1.601273115e-01 -1.601273115e-01 5.12 -1.529229132e-01 -1.529229132e-01 5.14 -1.460358499e-01 -1.460358499e-01 5.16 -1.394608986e-01 -1.394608986e-01 5.18 -1.331907667e-01 -1.331907667e-01 5.20 -1.272166429e-01 -1.272166429e-01 5.22 -1.215287242e-01 -1.215287242e-01 5.24 -1.161166637e-01 -1.161166637e-01 5.26 -1.109699243e-01 -1.109699243e-01 5.28 -1.060780198e-01 -1.060780198e-01 5.30 -1.014306481e-01 -1.014306481e-01 5.32 -9.701773081e-02 -9.701773081e-02 5.34 -9.282881482e-02 -9.282881482e-02 5.36 -8.885379152e-02 -8.885379152e-02 5.38 -8.508350319e-02 -8.508350319e-02 5.40 -8.150855417e-02 -8.150855417e-02 5.42 -7.811929851e-02 -7.811929851e-02 5.44 -7.490585558e-02 -7.490585558e-02 5.46 -7.185815092e-02 -7.185815092e-02 5.48 -6.896598073e-02 -6.896598073e-02 5.50 -6.621909462e-02 -6.621909462e-02 5.52 -6.360728890e-02 -6.360728890e-02 5.54 -6.112050280e-02 -6.112050280e-02 5.56 -5.874891041e-02 -5.874891041e-02 5.58 -5.648300308e-02 -5.648300308e-02 5.60 -5.431365902e-02 -5.431365902e-02 5.62 -5.223219832e-02 -5.223219832e-02 5.64 -5.023042392e-02 -5.023042392e-02 5.66 -4.830064950e-02 -4.830064950e-02 5.68 -4.643571681e-02 -4.643571681e-02 5.70 -4.462900478e-02 -4.462900478e-02 5.72 -4.287443321e-02 -4.287443321e-02 5.74 -4.116646360e-02 -4.116646360e-02 5.76 -3.950009911e-02 -3.950009911e-02 5.78 -3.787088560e-02 -3.787088560e-02 5.80 -3.627491465e-02 -3.627491465e-02 5.82 -3.470882929e-02 -3.470882929e-02 5.84 -3.316983213e-02 -3.316983213e-02 5.86 -3.165569540e-02 -3.165569540e-02 5.88 -3.016477121e-02 -3.016477121e-02 5.90 -2.869600031e-02 -2.869600031e-02 5.92 -2.724891685e-02 -2.724891685e-02 5.94 -2.582364627e-02 -2.582364627e-02 5.96 -2.442089365e-02 -2.442089365e-02 5.98 -2.304191875e-02 -2.304191875e-02 6.00 -2.168849690e-02 -2.168849690e-02