# 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 = Co2PbW # 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 3.026205072e+02 3.026205072e+02 1.30 2.801818031e+02 2.801818031e+02 1.32 2.594138015e+02 2.594138015e+02 1.34 2.401941010e+02 2.401941010e+02 1.36 2.224105893e+02 2.224105893e+02 1.38 2.059569047e+02 2.059569047e+02 1.40 1.907304106e+02 1.907304106e+02 1.42 1.766327735e+02 1.766327735e+02 1.44 1.635715679e+02 1.635715679e+02 1.46 1.514615598e+02 1.514615598e+02 1.48 1.402252189e+02 1.402252189e+02 1.50 1.297925007e+02 1.297925007e+02 1.52 1.201002391e+02 1.201002391e+02 1.54 1.110914664e+02 1.110914664e+02 1.56 1.027147586e+02 1.027147586e+02 1.58 9.492356189e+01 9.492356189e+01 1.60 8.767550629e+01 8.767550629e+01 1.62 8.093183745e+01 8.093183745e+01 1.64 7.465702902e+01 7.465702902e+01 1.66 6.881854692e+01 6.881854692e+01 1.68 6.338661471e+01 6.338661471e+01 1.70 5.833390164e+01 5.833390164e+01 1.72 5.363522614e+01 5.363522614e+01 1.74 4.926738488e+01 4.926738488e+01 1.76 4.520774112e+01 4.520774112e+01 1.78 4.143625268e+01 4.143625268e+01 1.80 3.793884127e+01 3.793884127e+01 1.82 3.469673578e+01 3.469673578e+01 1.84 3.169067384e+01 3.169067384e+01 1.86 2.890302494e+01 2.890302494e+01 1.88 2.631783907e+01 2.631783907e+01 1.90 2.392070640e+01 2.392070640e+01 1.92 2.169852943e+01 2.169852943e+01 1.94 1.963929123e+01 1.963929123e+01 1.96 1.773186752e+01 1.773186752e+01 1.98 1.596589056e+01 1.596589056e+01 2.00 1.433163332e+01 1.433163332e+01 2.02 1.281990887e+01 1.281990887e+01 2.04 1.142199137e+01 1.142199137e+01 2.06 1.012956758e+01 1.012956758e+01 2.08 8.934716177e+00 8.934716177e+00 2.10 7.829915395e+00 7.829915395e+00 2.12 6.808072084e+00 6.808072084e+00 2.14 5.862567574e+00 5.862567574e+00 2.16 4.987311930e+00 4.987311930e+00 2.18 4.176789703e+00 4.176789703e+00 2.20 3.426076323e+00 3.426076323e+00 2.22 2.730818328e+00 2.730818328e+00 2.24 2.087175042e+00 2.087175042e+00 2.26 1.491736599e+00 1.491736599e+00 2.28 9.414350464e-01 9.414350464e-01 2.30 4.335581462e-01 4.335581462e-01 2.32 -3.458594287e-02 -3.458594287e-02 2.34 -4.655918377e-01 -4.655918377e-01 2.36 -8.619071571e-01 -8.619071571e-01 2.38 -1.225851205e+00 -1.225851205e+00 2.40 -1.559621216e+00 -1.559621216e+00 2.42 -1.865291436e+00 -1.865291436e+00 2.44 -2.144729656e+00 -2.144729656e+00 2.46 -2.399440598e+00 -2.399440598e+00 2.48 -2.630838722e+00 -2.630838722e+00 2.50 -2.840294791e+00 -2.840294791e+00 2.52 -3.029123837e+00 -3.029123837e+00 2.54 -3.198582623e+00 -3.198582623e+00 2.56 -3.349875051e+00 -3.349875051e+00 2.58 -3.484160757e+00 -3.484160757e+00 2.60 -3.602560147e+00 -3.602560147e+00 2.62 -3.706150604e+00 -3.706150604e+00 2.64 -3.795957419e+00 -3.795957419e+00 2.66 -3.872952731e+00 -3.872952731e+00 2.68 -3.938092439e+00 -3.938092439e+00 2.70 -3.992123409e+00 -3.992123409e+00 2.72 -4.035718777e+00 -4.035718777e+00 2.74 -4.069511426e+00 -4.069511426e+00 2.76 -4.094099354e+00 -4.094099354e+00 2.78 -4.110048269e+00 -4.110048269e+00 2.80 -4.117892278e+00 -4.117892278e+00 2.82 -4.118131497e+00 -4.118131497e+00 2.84 -4.111208377e+00 -4.111208377e+00 2.86 -4.097439281e+00 -4.097439281e+00 2.88 -4.077104291e+00 -4.077104291e+00 2.90 -4.050479666e+00 -4.050479666e+00 2.92 -4.017842129e+00 -4.017842129e+00 2.94 -3.979476224e+00 -3.979476224e+00 2.96 -3.935683274e+00 -3.935683274e+00 2.98 -3.886790092e+00 -3.886790092e+00 3.00 -3.833155154e+00 -3.833155154e+00 3.02 -3.775169985e+00 -3.775169985e+00 3.04 -3.713267911e+00 -3.713267911e+00 3.06 -3.647946918e+00 -3.647946918e+00 3.08 -3.579514582e+00 -3.579514582e+00 3.10 -3.508288288e+00 -3.508288288e+00 3.12 -3.434607930e+00 -3.434607930e+00 3.14 -3.358810954e+00 -3.358810954e+00 3.16 -3.281183732e+00 -3.281183732e+00 3.18 -3.201977101e+00 -3.201977101e+00 3.20 -3.121426938e+00 -3.121426938e+00 3.22 -3.039749081e+00 -3.039749081e+00 3.24 -2.957138394e+00 -2.957138394e+00 3.26 -2.873771478e+00 -2.873771478e+00 3.28 -2.789812084e+00 -2.789812084e+00 3.30 -2.705418329e+00 -2.705418329e+00 3.32 -2.620750782e+00 -2.620750782e+00 3.34 -2.535980397e+00 -2.535980397e+00 3.36 -2.451295315e+00 -2.451295315e+00 3.38 -2.366905590e+00 -2.366905590e+00 3.40 -2.283044923e+00 -2.283044923e+00 3.42 -2.199970309e+00 -2.199970309e+00 3.44 -2.117956022e+00 -2.117956022e+00 3.46 -2.037287074e+00 -2.037287074e+00 3.48 -1.958249062e+00 -1.958249062e+00 3.50 -1.881116984e+00 -1.881116984e+00 3.52 -1.806143917e+00 -1.806143917e+00 3.54 -1.733550780e+00 -1.733550780e+00 3.56 -1.663518216e+00 -1.663518216e+00 3.58 -1.596181342e+00 -1.596181342e+00 3.60 -1.531627676e+00 -1.531627676e+00 3.62 -1.469898166e+00 -1.469898166e+00 3.64 -1.410990876e+00 -1.410990876e+00 3.66 -1.354866621e+00 -1.354866621e+00 3.68 -1.301455746e+00 -1.301455746e+00 3.70 -1.250665250e+00 -1.250665250e+00 3.72 -1.202385567e+00 -1.202385567e+00 3.74 -1.156496533e+00 -1.156496533e+00 3.76 -1.112872266e+00 -1.112872266e+00 3.78 -1.071384908e+00 -1.071384908e+00 3.80 -1.031907336e+00 -1.031907336e+00 3.82 -9.943150560e-01 -9.943150560e-01 3.84 -9.584874909e-01 -9.584874909e-01 3.86 -9.243088782e-01 -9.243088782e-01 3.88 -8.916689019e-01 -8.916689019e-01 3.90 -8.604631441e-01 -8.604631441e-01 3.92 -8.305928804e-01 -8.305928804e-01 3.94 -8.019673484e-01 -8.019673484e-01 3.96 -7.745004381e-01 -7.745004381e-01 3.98 -7.481129302e-01 -7.481129302e-01 4.00 -7.227316674e-01 -7.227316674e-01 4.02 -6.982892848e-01 -6.982892848e-01 4.04 -6.747239134e-01 -6.747239134e-01 4.06 -6.519789015e-01 -6.519789015e-01 4.08 -6.300025878e-01 -6.300025878e-01 4.10 -6.087471592e-01 -6.087471592e-01 4.12 -5.881727698e-01 -5.881727698e-01 4.14 -5.682410266e-01 -5.682410266e-01 4.16 -5.489197151e-01 -5.489197151e-01 4.18 -5.301817233e-01 -5.301817233e-01 4.20 -5.120051428e-01 -5.120051428e-01 4.22 -4.943732376e-01 -4.943732376e-01 4.24 -4.772741894e-01 -4.772741894e-01 4.26 -4.607005418e-01 -4.607005418e-01 4.28 -4.446483087e-01 -4.446483087e-01 4.30 -4.291157726e-01 -4.291157726e-01 4.32 -4.141020720e-01 -4.141020720e-01 4.34 -3.996057345e-01 -3.996057345e-01 4.36 -3.856233417e-01 -3.856233417e-01 4.38 -3.721484974e-01 -3.721484974e-01 4.40 -3.591712128e-01 -3.591712128e-01 4.42 -3.466777433e-01 -3.466777433e-01 4.44 -3.346508318e-01 -3.346508318e-01 4.46 -3.230702531e-01 -3.230702531e-01 4.48 -3.119135304e-01 -3.119135304e-01 4.50 -3.011566985e-01 -3.011566985e-01 4.52 -2.907750156e-01 -2.907750156e-01 4.54 -2.807435629e-01 -2.807435629e-01 4.56 -2.710377067e-01 -2.710377067e-01 4.58 -2.616334266e-01 -2.616334266e-01 4.60 -2.525075307e-01 -2.525075307e-01 4.62 -2.436377903e-01 -2.436377903e-01 4.64 -2.350030281e-01 -2.350030281e-01 4.66 -2.265831935e-01 -2.265831935e-01 4.68 -2.183594535e-01 -2.183594535e-01 4.70 -2.103143240e-01 -2.103143240e-01 4.72 -2.024318567e-01 -2.024318567e-01 4.74 -1.946978930e-01 -1.946978930e-01 4.76 -1.871003832e-01 -1.871003832e-01 4.78 -1.796297621e-01 -1.796297621e-01 4.80 -1.722785786e-01 -1.722785786e-01 4.82 -1.650451286e-01 -1.650451286e-01 4.84 -1.579287468e-01 -1.579287468e-01 4.86 -1.509335530e-01 -1.509335530e-01 4.88 -1.440675659e-01 -1.440675659e-01 4.90 -1.373424945e-01 -1.373424945e-01 4.92 -1.307732460e-01 -1.307732460e-01 4.94 -1.243771366e-01 -1.243771366e-01 4.96 -1.181728441e-01 -1.181728441e-01 4.98 -1.121791790e-01 -1.121791790e-01 5.00 -1.064137890e-01 -1.064137890e-01 5.02 -1.008919422e-01 -1.008919422e-01 5.04 -9.562551742e-02 -9.562551742e-02 5.06 -9.062230837e-02 -9.062230837e-02 5.08 -8.588533537e-02 -8.588533537e-02 5.10 -8.141338147e-02 -8.141338147e-02 5.12 -7.720194150e-02 -7.720194150e-02 5.14 -7.324298451e-02 -7.324298451e-02 5.16 -6.952576586e-02 -6.952576586e-02 5.18 -6.603768941e-02 -6.603768941e-02 5.20 -6.276512083e-02 -6.276512083e-02 5.22 -5.969409005e-02 -5.969409005e-02 5.24 -5.681084593e-02 -5.681084593e-02 5.26 -5.410225174e-02 -5.410225174e-02 5.28 -5.155602845e-02 -5.155602845e-02 5.30 -4.916085885e-02 -4.916085885e-02 5.32 -4.690628835e-02 -4.690628835e-02 5.34 -4.478291894e-02 -4.478291894e-02 5.36 -4.278219338e-02 -4.278219338e-02 5.38 -4.089620074e-02 -4.089620074e-02 5.40 -3.911755218e-02 -3.911755218e-02 5.42 -3.743927063e-02 -3.743927063e-02 5.44 -3.585470277e-02 -3.585470277e-02 5.46 -3.435745650e-02 -3.435745650e-02 5.48 -3.294136303e-02 -3.294136303e-02 5.50 -3.160046008e-02 -3.160046008e-02 5.52 -3.032899116e-02 -3.032899116e-02 5.54 -2.912141543e-02 -2.912141543e-02 5.56 -2.797242336e-02 -2.797242336e-02 5.58 -2.687695392e-02 -2.687695392e-02 5.60 -2.583021050e-02 -2.583021050e-02 5.62 -2.482767370e-02 -2.482767370e-02 5.64 -2.386510996e-02 -2.386510996e-02 5.66 -2.293857640e-02 -2.293857640e-02 5.68 -2.204442205e-02 -2.204442205e-02 5.70 -2.117928646e-02 -2.117928646e-02 5.72 -2.034009656e-02 -2.034009656e-02 5.74 -1.952406295e-02 -1.952406295e-02 5.76 -1.872867631e-02 -1.872867631e-02 5.78 -1.795170476e-02 -1.795170476e-02 5.80 -1.719119258e-02 -1.719119258e-02 5.82 -1.644546053e-02 -1.644546053e-02 5.84 -1.571310759e-02 -1.571310759e-02 5.86 -1.499301377e-02 -1.499301377e-02 5.88 -1.428434342e-02 -1.428434342e-02 5.90 -1.358654779e-02 -1.358654779e-02 5.92 -1.289936598e-02 -1.289936598e-02 5.94 -1.222281209e-02 -1.222281209e-02 5.96 -1.155713017e-02 -1.155713017e-02 5.98 -1.090289548e-02 -1.090289548e-02 6.00 -1.026094172e-02 -1.026094172e-02