# 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 = Al2FePd # 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 1.487013448e+02 1.487013448e+02 1.30 1.374551481e+02 1.374551481e+02 1.32 1.270519659e+02 1.270519659e+02 1.34 1.174248975e+02 1.174248975e+02 1.36 1.085107096e+02 1.085107096e+02 1.38 1.002498433e+02 1.002498433e+02 1.40 9.258710476e+01 9.258710476e+01 1.42 8.547245802e+01 8.547245802e+01 1.44 7.886141109e+01 7.886141109e+01 1.46 7.271484769e+01 7.271484769e+01 1.48 6.699842346e+01 6.699842346e+01 1.50 6.168161963e+01 6.168161963e+01 1.52 5.673660828e+01 5.673660828e+01 1.54 5.213726532e+01 5.213726532e+01 1.56 4.785862803e+01 4.785862803e+01 1.58 4.387684109e+01 4.387684109e+01 1.60 4.017231967e+01 4.017231967e+01 1.62 3.673951718e+01 3.673951718e+01 1.64 3.356017307e+01 3.356017307e+01 1.66 3.061674596e+01 3.061674596e+01 1.68 2.789529872e+01 2.789529872e+01 1.70 2.537982410e+01 2.537982410e+01 1.72 2.305510660e+01 2.305510660e+01 1.74 2.090678248e+01 2.090678248e+01 1.76 1.892130468e+01 1.892130468e+01 1.78 1.708597403e+01 1.708597403e+01 1.80 1.538900864e+01 1.538900864e+01 1.82 1.381960707e+01 1.381960707e+01 1.84 1.236796033e+01 1.236796033e+01 1.86 1.102520274e+01 1.102520274e+01 1.88 9.783321616e+00 9.783321616e+00 1.90 8.635040816e+00 8.635040816e+00 1.92 7.573680332e+00 7.573680332e+00 1.94 6.593005778e+00 6.593005778e+00 1.96 5.687102361e+00 5.687102361e+00 1.98 4.850308961e+00 4.850308961e+00 2.00 4.077226445e+00 4.077226445e+00 2.02 3.362785052e+00 3.362785052e+00 2.04 2.702330032e+00 2.702330032e+00 2.06 2.091676851e+00 2.091676851e+00 2.08 1.527107660e+00 1.527107660e+00 2.10 1.005315261e+00 1.005315261e+00 2.12 5.233230555e-01 5.233230555e-01 2.14 7.840954349e-02 7.840954349e-02 2.16 -3.319456747e-01 -3.319456747e-01 2.18 -7.100899787e-01 -7.100899787e-01 2.20 -1.058204549e+00 -1.058204549e+00 2.22 -1.378300115e+00 -1.378300115e+00 2.24 -1.672212221e+00 -1.672212221e+00 2.26 -1.941602586e+00 -1.941602586e+00 2.28 -2.187967725e+00 -2.187967725e+00 2.30 -2.412652605e+00 -2.412652605e+00 2.32 -2.616867071e+00 -2.616867071e+00 2.34 -2.801703475e+00 -2.801703475e+00 2.36 -2.968155458e+00 -2.968155458e+00 2.38 -3.117137711e+00 -3.117137711e+00 2.40 -3.249506966e+00 -3.249506966e+00 2.42 -3.366084363e+00 -3.366084363e+00 2.44 -3.467678952e+00 -3.467678952e+00 2.46 -3.555110871e+00 -3.555110871e+00 2.48 -3.629231188e+00 -3.629231188e+00 2.50 -3.690935140e+00 -3.690935140e+00 2.52 -3.741167513e+00 -3.741167513e+00 2.54 -3.780921832e+00 -3.780921832e+00 2.56 -3.811312559e+00 -3.811312559e+00 2.58 -3.833753835e+00 -3.833753835e+00 2.60 -3.849189487e+00 -3.849189487e+00 2.62 -3.858495170e+00 -3.858495170e+00 2.64 -3.863137488e+00 -3.863137488e+00 2.66 -3.864716572e+00 -3.864716572e+00 2.68 -3.863279360e+00 -3.863279360e+00 2.70 -3.858809772e+00 -3.858809772e+00 2.72 -3.851264980e+00 -3.851264980e+00 2.74 -3.840593691e+00 -3.840593691e+00 2.76 -3.826706300e+00 -3.826706300e+00 2.78 -3.809498974e+00 -3.809498974e+00 2.80 -3.788869536e+00 -3.788869536e+00 2.82 -3.764710857e+00 -3.764710857e+00 2.84 -3.736975019e+00 -3.736975019e+00 2.86 -3.705673436e+00 -3.705673436e+00 2.88 -3.670870928e+00 -3.670870928e+00 2.90 -3.632678118e+00 -3.632678118e+00 2.92 -3.591242873e+00 -3.591242873e+00 2.94 -3.546742391e+00 -3.546742391e+00 2.96 -3.499377563e+00 -3.499377563e+00 2.98 -3.449370745e+00 -3.449370745e+00 3.00 -3.396966928e+00 -3.396966928e+00 3.02 -3.342436610e+00 -3.342436610e+00 3.04 -3.286077245e+00 -3.286077245e+00 3.06 -3.228210056e+00 -3.228210056e+00 3.08 -3.169170197e+00 -3.169170197e+00 3.10 -3.109291304e+00 -3.109291304e+00 3.12 -3.048887650e+00 -3.048887650e+00 3.14 -2.988238626e+00 -2.988238626e+00 3.16 -2.927579217e+00 -2.927579217e+00 3.18 -2.867098354e+00 -2.867098354e+00 3.20 -2.806944117e+00 -2.806944117e+00 3.22 -2.747233273e+00 -2.747233273e+00 3.24 -2.688062022e+00 -2.688062022e+00 3.26 -2.629515331e+00 -2.629515331e+00 3.28 -2.571673266e+00 -2.571673266e+00 3.30 -2.514613879e+00 -2.514613879e+00 3.32 -2.458413049e+00 -2.458413049e+00 3.34 -2.403142261e+00 -2.403142261e+00 3.36 -2.348865421e+00 -2.348865421e+00 3.38 -2.295635778e+00 -2.295635778e+00 3.40 -2.243493647e+00 -2.243493647e+00 3.42 -2.192465387e+00 -2.192465387e+00 3.44 -2.142563581e+00 -2.142563581e+00 3.46 -2.093788307e+00 -2.093788307e+00 3.48 -2.046129076e+00 -2.046129076e+00 3.50 -1.999567078e+00 -1.999567078e+00 3.52 -1.954077404e+00 -1.954077404e+00 3.54 -1.909631007e+00 -1.909631007e+00 3.56 -1.866196272e+00 -1.866196272e+00 3.58 -1.823740156e+00 -1.823740156e+00 3.60 -1.782228935e+00 -1.782228935e+00 3.62 -1.741628611e+00 -1.741628611e+00 3.64 -1.701905073e+00 -1.701905073e+00 3.66 -1.663024099e+00 -1.663024099e+00 3.68 -1.624951263e+00 -1.624951263e+00 3.70 -1.587651825e+00 -1.587651825e+00 3.72 -1.551090651e+00 -1.551090651e+00 3.74 -1.515232183e+00 -1.515232183e+00 3.76 -1.480040496e+00 -1.480040496e+00 3.78 -1.445479422e+00 -1.445479422e+00 3.80 -1.411512756e+00 -1.411512756e+00 3.82 -1.378104507e+00 -1.378104507e+00 3.84 -1.345219183e+00 -1.345219183e+00 3.86 -1.312822085e+00 -1.312822085e+00 3.88 -1.280879601e+00 -1.280879601e+00 3.90 -1.249359486e+00 -1.249359486e+00 3.92 -1.218231135e+00 -1.218231135e+00 3.94 -1.187465883e+00 -1.187465883e+00 3.96 -1.157037257e+00 -1.157037257e+00 3.98 -1.126921329e+00 -1.126921329e+00 4.00 -1.097097065e+00 -1.097097065e+00 4.02 -1.067546719e+00 -1.067546719e+00 4.04 -1.038256234e+00 -1.038256234e+00 4.06 -1.009215652e+00 -1.009215652e+00 4.08 -9.804194821e-01 -9.804194821e-01 4.10 -9.518670120e-01 -9.518670120e-01 4.12 -9.235626561e-01 -9.235626561e-01 4.14 -8.955160745e-01 -8.955160745e-01 4.16 -8.677424845e-01 -8.677424845e-01 4.18 -8.402628729e-01 -8.402628729e-01 4.20 -8.131042265e-01 -8.131042265e-01 4.22 -7.862996934e-01 -7.862996934e-01 4.24 -7.598885474e-01 -7.598885474e-01 4.26 -7.339157858e-01 -7.339157858e-01 4.28 -7.084311806e-01 -7.084311806e-01 4.30 -6.834876550e-01 -6.834876550e-01 4.32 -6.591389653e-01 -6.591389653e-01 4.34 -6.354368050e-01 -6.354368050e-01 4.36 -6.124275925e-01 -6.124275925e-01 4.38 -5.901492992e-01 -5.901492992e-01 4.40 -5.686287052e-01 -5.686287052e-01 4.42 -5.478794144e-01 -5.478794144e-01 4.44 -5.279008450e-01 -5.279008450e-01 4.46 -5.086782591e-01 -5.086782591e-01 4.48 -4.901837489e-01 -4.901837489e-01 4.50 -4.723779867e-01 -4.723779867e-01 4.52 -4.552124857e-01 -4.552124857e-01 4.54 -4.386321135e-01 -4.386321135e-01 4.56 -4.225776297e-01 -4.225776297e-01 4.58 -4.069880752e-01 -4.069880752e-01 4.60 -3.918029033e-01 -3.918029033e-01 4.62 -3.769637920e-01 -3.769637920e-01 4.64 -3.624161247e-01 -3.624161247e-01 4.66 -3.481101502e-01 -3.481101502e-01 4.68 -3.340018503e-01 -3.340018503e-01 4.70 -3.200535545e-01 -3.200535545e-01 4.72 -3.062343409e-01 -3.062343409e-01 4.74 -2.925202718e-01 -2.925202718e-01 4.76 -2.788945072e-01 -2.788945072e-01 4.78 -2.653473571e-01 -2.653473571e-01 4.80 -2.518762796e-01 -2.518762796e-01 4.82 -2.384859385e-01 -2.384859385e-01 4.84 -2.251881490e-01 -2.251881490e-01 4.86 -2.120019133e-01 -2.120019133e-01 4.88 -1.989533422e-01 -1.989533422e-01 4.90 -1.860754211e-01 -1.860754211e-01 4.92 -1.734075160e-01 -1.734075160e-01 4.94 -1.609944517e-01 -1.609944517e-01 4.96 -1.488850151e-01 -1.488850151e-01 4.98 -1.371313283e-01 -1.371313283e-01 5.00 -1.257861329e-01 -1.257861329e-01 5.02 -1.149004607e-01 -1.149004607e-01 5.04 -1.045213879e-01 -1.045213879e-01 5.06 -9.468992051e-02 -9.468992051e-02 5.08 -8.543920102e-02 -8.543920102e-02 5.10 -7.679319304e-02 -7.679319304e-02 5.12 -6.876594023e-02 -6.876594023e-02 5.14 -6.136142629e-02 -6.136142629e-02 5.16 -5.457399646e-02 -5.457399646e-02 5.18 -4.838924819e-02 -4.838924819e-02 5.20 -4.278526553e-02 -4.278526553e-02 5.22 -3.773405844e-02 -3.773405844e-02 5.24 -3.320307141e-02 -3.320307141e-02 5.26 -2.915666673e-02 -2.915666673e-02 5.28 -2.555748258e-02 -2.555748258e-02 5.30 -2.236761600e-02 -2.236761600e-02 5.32 -1.954959298e-02 -1.954959298e-02 5.34 -1.706713616e-02 -1.706713616e-02 5.36 -1.488572949e-02 -1.488572949e-02 5.38 -1.297261340e-02 -1.297261340e-02 5.40 -1.129789553e-02 -1.129789553e-02 5.42 -9.834414065e-03 -9.834414065e-03 5.44 -8.557372263e-03 -8.557372263e-03 5.46 -7.444341824e-03 -7.444341824e-03 5.48 -6.475191657e-03 -6.475191657e-03 5.50 -5.631967256e-03 -5.631967256e-03 5.52 -4.898740072e-03 -4.898740072e-03 5.54 -4.261441348e-03 -4.261441348e-03 5.56 -3.707690863e-03 -3.707690863e-03 5.58 -3.226627885e-03 -3.226627885e-03 5.60 -2.808749184e-03 -2.808749184e-03 5.62 -2.445757131e-03 -2.445757131e-03 5.64 -2.130419558e-03 -2.130419558e-03 5.66 -1.856442093e-03 -1.856442093e-03 5.68 -1.618353015e-03 -1.618353015e-03 5.70 -1.411400240e-03 -1.411400240e-03 5.72 -1.231459749e-03 -1.231459749e-03 5.74 -1.074954627e-03 -1.074954627e-03 5.76 -9.387837861e-04 -9.387837861e-04 5.78 -8.202594562e-04 -8.202594562e-04 5.80 -7.170525118e-04 -7.170525118e-04 5.82 -6.271447823e-04 -6.271447823e-04 5.84 -5.487875318e-04 -5.487875318e-04 5.86 -4.804653729e-04 -4.804653729e-04 5.88 -4.208649453e-04 -4.208649453e-04 5.90 -3.688477605e-04 -3.688477605e-04 5.92 -3.234266780e-04 -3.234266780e-04 5.94 -2.837455426e-04 -2.837455426e-04 5.96 -2.490615662e-04 -2.490615662e-04 5.98 -2.187300901e-04 -2.187300901e-04 6.00 -1.921914109e-04 -1.921914109e-04