# 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 = AuPb2Pd # 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 4.206329524e+02 4.206329524e+02 1.30 3.926266832e+02 3.926266832e+02 1.32 3.665676374e+02 3.665676374e+02 1.34 3.423021514e+02 3.423021514e+02 1.36 3.196901388e+02 3.196901388e+02 1.38 2.986049477e+02 2.986049477e+02 1.40 2.789325995e+02 2.789325995e+02 1.42 2.605698877e+02 2.605698877e+02 1.44 2.434222640e+02 2.434222640e+02 1.46 2.274025263e+02 2.274025263e+02 1.48 2.124301416e+02 2.124301416e+02 1.50 1.984305574e+02 1.984305574e+02 1.52 1.853343921e+02 1.853343921e+02 1.54 1.730769258e+02 1.730769258e+02 1.56 1.615980400e+02 1.615980400e+02 1.58 1.508423435e+02 1.508423435e+02 1.60 1.407591584e+02 1.407591584e+02 1.62 1.313022206e+02 1.313022206e+02 1.64 1.224291637e+02 1.224291637e+02 1.66 1.141009968e+02 1.141009968e+02 1.68 1.062816913e+02 1.062816913e+02 1.70 9.893780538e+01 9.893780538e+01 1.72 9.203952013e+01 9.203952013e+01 1.74 8.557057638e+01 8.557057638e+01 1.76 7.952531181e+01 7.952531181e+01 1.78 7.388351500e+01 7.388351500e+01 1.80 6.861750877e+01 6.861750877e+01 1.82 6.370164194e+01 6.370164194e+01 1.84 5.911212826e+01 5.911212826e+01 1.86 5.482692101e+01 5.482692101e+01 1.88 5.082563049e+01 5.082563049e+01 1.90 4.708940184e+01 4.708940184e+01 1.92 4.360075879e+01 4.360075879e+01 1.94 4.034344311e+01 4.034344311e+01 1.96 3.730229526e+01 3.730229526e+01 1.98 3.446316192e+01 3.446316192e+01 2.00 3.181282093e+01 3.181282093e+01 2.02 2.933891032e+01 2.933891032e+01 2.04 2.702985476e+01 2.702985476e+01 2.06 2.487480186e+01 2.487480186e+01 2.08 2.286358139e+01 2.286358139e+01 2.10 2.098668252e+01 2.098668252e+01 2.12 1.923524437e+01 1.923524437e+01 2.14 1.760104247e+01 1.760104247e+01 2.16 1.607645773e+01 1.607645773e+01 2.18 1.465443074e+01 1.465443074e+01 2.20 1.332840308e+01 1.332840308e+01 2.22 1.209226606e+01 1.209226606e+01 2.24 1.094031729e+01 1.094031729e+01 2.26 9.867228471e+00 9.867228471e+00 2.28 8.868022503e+00 8.868022503e+00 2.30 7.938047263e+00 7.938047263e+00 2.32 7.072953841e+00 7.072953841e+00 2.34 6.268670353e+00 6.268670353e+00 2.36 5.521374554e+00 5.521374554e+00 2.38 4.827467550e+00 4.827467550e+00 2.40 4.183550962e+00 4.183550962e+00 2.42 3.586410805e+00 3.586410805e+00 2.44 3.033007440e+00 3.033007440e+00 2.46 2.520472739e+00 2.520472739e+00 2.48 2.046109472e+00 2.046109472e+00 2.50 1.607390703e+00 1.607390703e+00 2.52 1.201957172e+00 1.201957172e+00 2.54 8.276122626e-01 8.276122626e-01 2.56 4.823146861e-01 4.823146861e-01 2.58 1.641690035e-01 1.641690035e-01 2.60 -1.285858024e-01 -1.285858024e-01 2.62 -3.975883006e-01 -3.975883006e-01 2.64 -6.443696921e-01 -6.443696921e-01 2.66 -8.703604190e-01 -8.703604190e-01 2.68 -1.076901820e+00 -1.076901820e+00 2.70 -1.265251829e+00 -1.265251829e+00 2.72 -1.436590115e+00 -1.436590115e+00 2.74 -1.592168522e+00 -1.592168522e+00 2.76 -1.733248049e+00 -1.733248049e+00 2.78 -1.860681882e+00 -1.860681882e+00 2.80 -1.975199653e+00 -1.975199653e+00 2.82 -2.077511875e+00 -2.077511875e+00 2.84 -2.168312233e+00 -2.168312233e+00 2.86 -2.248278225e+00 -2.248278225e+00 2.88 -2.318072318e+00 -2.318072318e+00 2.90 -2.378343140e+00 -2.378343140e+00 2.92 -2.429745069e+00 -2.429745069e+00 2.94 -2.472935948e+00 -2.472935948e+00 2.96 -2.508539306e+00 -2.508539306e+00 2.98 -2.537144488e+00 -2.537144488e+00 3.00 -2.559305695e+00 -2.559305695e+00 3.02 -2.575541872e+00 -2.575541872e+00 3.04 -2.586337896e+00 -2.586337896e+00 3.06 -2.592149880e+00 -2.592149880e+00 3.08 -2.593404629e+00 -2.593404629e+00 3.10 -2.590505095e+00 -2.590505095e+00 3.12 -2.583830588e+00 -2.583830588e+00 3.14 -2.573743136e+00 -2.573743136e+00 3.16 -2.560580281e+00 -2.560580281e+00 3.18 -2.544660619e+00 -2.544660619e+00 3.20 -2.526281381e+00 -2.526281381e+00 3.22 -2.505717906e+00 -2.505717906e+00 3.24 -2.483279469e+00 -2.483279469e+00 3.26 -2.459171117e+00 -2.459171117e+00 3.28 -2.433529598e+00 -2.433529598e+00 3.30 -2.406480739e+00 -2.406480739e+00 3.32 -2.378139719e+00 -2.378139719e+00 3.34 -2.348612636e+00 -2.348612636e+00 3.36 -2.317998667e+00 -2.317998667e+00 3.38 -2.286392204e+00 -2.286392204e+00 3.40 -2.253883134e+00 -2.253883134e+00 3.42 -2.220547481e+00 -2.220547481e+00 3.44 -2.186451671e+00 -2.186451671e+00 3.46 -2.151664908e+00 -2.151664908e+00 3.48 -2.116257848e+00 -2.116257848e+00 3.50 -2.080301440e+00 -2.080301440e+00 3.52 -2.043865839e+00 -2.043865839e+00 3.54 -2.007019533e+00 -2.007019533e+00 3.56 -1.969828720e+00 -1.969828720e+00 3.58 -1.932357005e+00 -1.932357005e+00 3.60 -1.894665391e+00 -1.894665391e+00 3.62 -1.856812528e+00 -1.856812528e+00 3.64 -1.818855150e+00 -1.818855150e+00 3.66 -1.780848576e+00 -1.780848576e+00 3.68 -1.742847143e+00 -1.742847143e+00 3.70 -1.704904433e+00 -1.704904433e+00 3.72 -1.667073176e+00 -1.667073176e+00 3.74 -1.629404788e+00 -1.629404788e+00 3.76 -1.591948574e+00 -1.591948574e+00 3.78 -1.554750731e+00 -1.554750731e+00 3.80 -1.517853322e+00 -1.517853322e+00 3.82 -1.481293446e+00 -1.481293446e+00 3.84 -1.445102758e+00 -1.445102758e+00 3.86 -1.409307424e+00 -1.409307424e+00 3.88 -1.373928514e+00 -1.373928514e+00 3.90 -1.338982740e+00 -1.338982740e+00 3.92 -1.304482714e+00 -1.304482714e+00 3.94 -1.270440929e+00 -1.270440929e+00 3.96 -1.236866180e+00 -1.236866180e+00 3.98 -1.203767725e+00 -1.203767725e+00 4.00 -1.171155200e+00 -1.171155200e+00 4.02 -1.139039214e+00 -1.139039214e+00 4.04 -1.107431743e+00 -1.107431743e+00 4.06 -1.076346293e+00 -1.076346293e+00 4.08 -1.045797831e+00 -1.045797831e+00 4.10 -1.015800523e+00 -1.015800523e+00 4.12 -9.863753568e-01 -9.863753568e-01 4.14 -9.575365719e-01 -9.575365719e-01 4.16 -9.292998490e-01 -9.292998490e-01 4.18 -9.016790830e-01 -9.016790830e-01 4.20 -8.746856378e-01 -8.746856378e-01 4.22 -8.483277766e-01 -8.483277766e-01 4.24 -8.226103179e-01 -8.226103179e-01 4.26 -7.975345166e-01 -7.975345166e-01 4.28 -7.730981314e-01 -7.730981314e-01 4.30 -7.492956154e-01 -7.492956154e-01 4.32 -7.261183595e-01 -7.261183595e-01 4.34 -7.035549383e-01 -7.035549383e-01 4.36 -6.815913309e-01 -6.815913309e-01 4.38 -6.602111205e-01 -6.602111205e-01 4.40 -6.393956933e-01 -6.393956933e-01 4.42 -6.191244700e-01 -6.191244700e-01 4.44 -5.993751958e-01 -5.993751958e-01 4.46 -5.801243051e-01 -5.801243051e-01 4.48 -5.613473628e-01 -5.613473628e-01 4.50 -5.430195719e-01 -5.430195719e-01 4.52 -5.251163292e-01 -5.251163292e-01 4.54 -5.076138073e-01 -5.076138073e-01 4.56 -4.904895432e-01 -4.904895432e-01 4.58 -4.737230122e-01 -4.737230122e-01 4.60 -4.572961676e-01 -4.572961676e-01 4.62 -4.411939253e-01 -4.411939253e-01 4.64 -4.254045678e-01 -4.254045678e-01 4.66 -4.099200402e-01 -4.099200402e-01 4.68 -3.947361070e-01 -3.947361070e-01 4.70 -3.798523441e-01 -3.798523441e-01 4.72 -3.652719433e-01 -3.652719433e-01 4.74 -3.510013257e-01 -3.510013257e-01 4.76 -3.370495768e-01 -3.370495768e-01 4.78 -3.234277377e-01 -3.234277377e-01 4.80 -3.101465150e-01 -3.101465150e-01 4.82 -2.972216724e-01 -2.972216724e-01 4.84 -2.846635610e-01 -2.846635610e-01 4.86 -2.724832221e-01 -2.724832221e-01 4.88 -2.606901114e-01 -2.606901114e-01 4.90 -2.492917636e-01 -2.492917636e-01 4.92 -2.382936155e-01 -2.382936155e-01 4.94 -2.276989570e-01 -2.276989570e-01 4.96 -2.175089684e-01 -2.175089684e-01 4.98 -2.077228030e-01 -2.077228030e-01 5.00 -1.983376858e-01 -1.983376858e-01 5.02 -1.893490105e-01 -1.893490105e-01 5.04 -1.807504358e-01 -1.807504358e-01 5.06 -1.725339912e-01 -1.725339912e-01 5.08 -1.646902104e-01 -1.646902104e-01 5.10 -1.572083073e-01 -1.572083073e-01 5.12 -1.500764010e-01 -1.500764010e-01 5.14 -1.432817817e-01 -1.432817817e-01 5.16 -1.368112198e-01 -1.368112198e-01 5.18 -1.306512786e-01 -1.306512786e-01 5.20 -1.247886130e-01 -1.247886130e-01 5.22 -1.192102213e-01 -1.192102213e-01 5.24 -1.139036311e-01 -1.139036311e-01 5.26 -1.088570116e-01 -1.088570116e-01 5.28 -1.040592062e-01 -1.040592062e-01 5.30 -9.949969198e-02 -9.949969198e-02 5.32 -9.516848061e-02 -9.516848061e-02 5.34 -9.105531749e-02 -9.105531749e-02 5.36 -8.715066420e-02 -8.715066420e-02 5.38 -8.344581188e-02 -8.344581188e-02 5.40 -7.993183984e-02 -7.993183984e-02 5.42 -7.659957817e-02 -7.659957817e-02 5.44 -7.343960274e-02 -7.343960274e-02 5.46 -7.044226380e-02 -7.044226380e-02 5.48 -6.759774422e-02 -6.759774422e-02 5.50 -6.489614005e-02 -6.489614005e-02 5.52 -6.232755447e-02 -6.232755447e-02 5.54 -5.988219626e-02 -5.988219626e-02 5.56 -5.755047495e-02 -5.755047495e-02 5.58 -5.532308685e-02 -5.532308685e-02 5.60 -5.319108832e-02 -5.319108832e-02 5.62 -5.114595435e-02 -5.114595435e-02 5.64 -4.917962266e-02 -4.917962266e-02 5.66 -4.728452450e-02 -4.728452450e-02 5.68 -4.545360432e-02 -4.545360432e-02 5.70 -4.368033092e-02 -4.368033092e-02 5.72 -4.195870270e-02 -4.195870270e-02 5.74 -4.028324969e-02 -4.028324969e-02 5.76 -3.864903441e-02 -3.864903441e-02 5.78 -3.705165360e-02 -3.705165360e-02 5.80 -3.548724082e-02 -3.548724082e-02 5.82 -3.395247244e-02 -3.395247244e-02 5.84 -3.244457576e-02 -3.244457576e-02 5.86 -3.096133856e-02 -3.096133856e-02 5.88 -2.950111897e-02 -2.950111897e-02 5.90 -2.806285379e-02 -2.806285379e-02 5.92 -2.664606273e-02 -2.664606273e-02 5.94 -2.525084599e-02 -2.525084599e-02 5.96 -2.387787231e-02 -2.387787231e-02 5.98 -2.252835566e-02 -2.252835566e-02 6.00 -2.120401565e-02 -2.120401565e-02