# 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 = Cu2NiPd # 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 1.415353310e+02 1.415353310e+02 1.30 1.301998456e+02 1.301998456e+02 1.32 1.197400741e+02 1.197400741e+02 1.34 1.100868057e+02 1.100868057e+02 1.36 1.011752896e+02 1.011752896e+02 1.38 9.294443091e+01 9.294443091e+01 1.40 8.533716847e+01 8.533716847e+01 1.42 7.830150279e+01 7.830150279e+01 1.44 7.179121403e+01 7.179121403e+01 1.46 6.576555434e+01 6.576555434e+01 1.48 6.018805533e+01 6.018805533e+01 1.50 5.502519120e+01 5.502519120e+01 1.52 5.024551174e+01 5.024551174e+01 1.54 4.581929893e+01 4.581929893e+01 1.56 4.171844187e+01 4.171844187e+01 1.58 3.792390018e+01 3.792390018e+01 1.60 3.442324181e+01 3.442324181e+01 1.62 3.119228764e+01 3.119228764e+01 1.64 2.821000334e+01 2.821000334e+01 1.66 2.545844197e+01 2.545844197e+01 1.68 2.292195659e+01 2.292195659e+01 1.70 2.058628278e+01 2.058628278e+01 1.72 1.843781531e+01 1.843781531e+01 1.74 1.646323501e+01 1.646323501e+01 1.76 1.464946285e+01 1.464946285e+01 1.78 1.298381332e+01 1.298381332e+01 1.80 1.145421790e+01 1.145421790e+01 1.82 1.004942979e+01 1.004942979e+01 1.84 8.759139812e+00 8.759139812e+00 1.86 7.573969205e+00 7.573969205e+00 1.88 6.485376458e+00 6.485376458e+00 1.90 5.485556795e+00 5.485556795e+00 1.92 4.567388231e+00 4.567388231e+00 1.94 3.724426109e+00 3.724426109e+00 1.96 2.950910373e+00 2.950910373e+00 1.98 2.241742068e+00 2.241742068e+00 2.00 1.592406711e+00 1.592406711e+00 2.02 9.988557138e-01 9.988557138e-01 2.04 4.573793228e-01 4.573793228e-01 2.06 -3.549585216e-02 -3.549585216e-02 2.08 -4.830678485e-01 -4.830678485e-01 2.10 -8.884806919e-01 -8.884806919e-01 2.12 -1.254720364e+00 -1.254720364e+00 2.14 -1.584603634e+00 -1.584603634e+00 2.16 -1.880774297e+00 -1.880774297e+00 2.18 -2.145713030e+00 -2.145713030e+00 2.20 -2.381758445e+00 -2.381758445e+00 2.22 -2.591132186e+00 -2.591132186e+00 2.24 -2.775961905e+00 -2.775961905e+00 2.26 -2.938300723e+00 -2.938300723e+00 2.28 -3.080144783e+00 -3.080144783e+00 2.30 -3.203446927e+00 -3.203446927e+00 2.32 -3.310116820e+00 -3.310116820e+00 2.34 -3.401995497e+00 -3.401995497e+00 2.36 -3.480803667e+00 -3.480803667e+00 2.38 -3.548076178e+00 -3.548076178e+00 2.40 -3.605119011e+00 -3.605119011e+00 2.42 -3.653001935e+00 -3.653001935e+00 2.44 -3.692591477e+00 -3.692591477e+00 2.46 -3.724905388e+00 -3.724905388e+00 2.48 -3.750574082e+00 -3.750574082e+00 2.50 -3.769931377e+00 -3.769931377e+00 2.52 -3.783381362e+00 -3.783381362e+00 2.54 -3.791436762e+00 -3.791436762e+00 2.56 -3.793832763e+00 -3.793832763e+00 2.58 -3.790369238e+00 -3.790369238e+00 2.60 -3.780950873e+00 -3.780950873e+00 2.62 -3.765596362e+00 -3.765596362e+00 2.64 -3.744436790e+00 -3.744436790e+00 2.66 -3.717680263e+00 -3.717680263e+00 2.68 -3.685629599e+00 -3.685629599e+00 2.70 -3.648714808e+00 -3.648714808e+00 2.72 -3.607432286e+00 -3.607432286e+00 2.74 -3.562312823e+00 -3.562312823e+00 2.76 -3.513894275e+00 -3.513894275e+00 2.78 -3.462690612e+00 -3.462690612e+00 2.80 -3.409165382e+00 -3.409165382e+00 2.82 -3.353716416e+00 -3.353716416e+00 2.84 -3.296674581e+00 -3.296674581e+00 2.86 -3.238314514e+00 -3.238314514e+00 2.88 -3.178871833e+00 -3.178871833e+00 2.90 -3.118560445e+00 -3.118560445e+00 2.92 -3.057584970e+00 -3.057584970e+00 2.94 -2.996146036e+00 -2.996146036e+00 2.96 -2.934438920e+00 -2.934438920e+00 2.98 -2.872648042e+00 -2.872648042e+00 3.00 -2.810940443e+00 -2.810940443e+00 3.02 -2.749460873e+00 -2.749460873e+00 3.04 -2.688329778e+00 -2.688329778e+00 3.06 -2.627644177e+00 -2.627644177e+00 3.08 -2.567480500e+00 -2.567480500e+00 3.10 -2.507898222e+00 -2.507898222e+00 3.12 -2.448943332e+00 -2.448943332e+00 3.14 -2.390651097e+00 -2.390651097e+00 3.16 -2.333047991e+00 -2.333047991e+00 3.18 -2.276152944e+00 -2.276152944e+00 3.20 -2.219978203e+00 -2.219978203e+00 3.22 -2.164530116e+00 -2.164530116e+00 3.24 -2.109810078e+00 -2.109810078e+00 3.26 -2.055815762e+00 -2.055815762e+00 3.28 -2.002542631e+00 -2.002542631e+00 3.30 -1.949985604e+00 -1.949985604e+00 3.32 -1.898140690e+00 -1.898140690e+00 3.34 -1.847006366e+00 -1.847006366e+00 3.36 -1.796584489e+00 -1.796584489e+00 3.38 -1.746880639e+00 -1.746880639e+00 3.40 -1.697903847e+00 -1.697903847e+00 3.42 -1.649665769e+00 -1.649665769e+00 3.44 -1.602179464e+00 -1.602179464e+00 3.46 -1.555457947e+00 -1.555457947e+00 3.48 -1.509512730e+00 -1.509512730e+00 3.50 -1.464352499e+00 -1.464352499e+00 3.52 -1.419982084e+00 -1.419982084e+00 3.54 -1.376401780e+00 -1.376401780e+00 3.56 -1.333607068e+00 -1.333607068e+00 3.58 -1.291588722e+00 -1.291588722e+00 3.60 -1.250333308e+00 -1.250333308e+00 3.62 -1.209824041e+00 -1.209824041e+00 3.64 -1.170041988e+00 -1.170041988e+00 3.66 -1.130967613e+00 -1.130967613e+00 3.68 -1.092582615e+00 -1.092582615e+00 3.70 -1.054872027e+00 -1.054872027e+00 3.72 -1.017826440e+00 -1.017826440e+00 3.74 -9.814441708e-01 -9.814441708e-01 3.76 -9.457331194e-01 -9.457331194e-01 3.78 -9.107119697e-01 -9.107119697e-01 3.80 -8.764104147e-01 -8.764104147e-01 3.82 -8.428681242e-01 -8.428681242e-01 3.84 -8.101323358e-01 -8.101323358e-01 3.86 -7.782541759e-01 -7.782541759e-01 3.88 -7.472840743e-01 -7.472840743e-01 3.90 -7.172668542e-01 -7.172668542e-01 3.92 -6.882371946e-01 -6.882371946e-01 3.94 -6.602161217e-01 -6.602161217e-01 3.96 -6.332089966e-01 -6.332089966e-01 3.98 -6.072051860e-01 -6.072051860e-01 4.00 -5.821792923e-01 -5.821792923e-01 4.02 -5.580935779e-01 -5.580935779e-01 4.04 -5.349010759e-01 -5.349010759e-01 4.06 -5.125488619e-01 -5.125488619e-01 4.08 -4.909810418e-01 -4.909810418e-01 4.10 -4.701411528e-01 -4.701411528e-01 4.12 -4.499738450e-01 -4.499738450e-01 4.14 -4.304258577e-01 -4.304258577e-01 4.16 -4.114464474e-01 -4.114464474e-01 4.18 -3.929874846e-01 -3.929874846e-01 4.20 -3.750034761e-01 -3.750034761e-01 4.22 -3.574517398e-01 -3.574517398e-01 4.24 -3.402928965e-01 -3.402928965e-01 4.26 -3.234917524e-01 -3.234917524e-01 4.28 -3.070185449e-01 -3.070185449e-01 4.30 -2.908504359e-01 -2.908504359e-01 4.32 -2.749730605e-01 -2.749730605e-01 4.34 -2.593818963e-01 -2.593818963e-01 4.36 -2.440832052e-01 -2.440832052e-01 4.38 -2.290943191e-01 -2.290943191e-01 4.40 -2.144430990e-01 -2.144430990e-01 4.42 -2.001664859e-01 -2.001664859e-01 4.44 -1.863081778e-01 -1.863081778e-01 4.46 -1.729155950e-01 -1.729155950e-01 4.48 -1.600364106e-01 -1.600364106e-01 4.50 -1.477150056e-01 -1.477150056e-01 4.52 -1.359892365e-01 -1.359892365e-01 4.54 -1.248878646e-01 -1.248878646e-01 4.56 -1.144289031e-01 -1.144289031e-01 4.58 -1.046189977e-01 -1.046189977e-01 4.60 -9.545381891e-02 -9.545381891e-02 4.62 -8.691932072e-02 -8.691932072e-02 4.64 -7.899361146e-02 -7.899361146e-02 4.66 -7.164914313e-02 -7.164914313e-02 4.68 -6.485494333e-02 -6.485494333e-02 4.70 -5.857866357e-02 -5.857866357e-02 4.72 -5.278802769e-02 -5.278802769e-02 4.74 -4.745243001e-02 -4.745243001e-02 4.76 -4.254388309e-02 -4.254388309e-02 4.78 -3.803676565e-02 -3.803676565e-02 4.80 -3.390777926e-02 -3.390777926e-02 4.82 -3.013562519e-02 -3.013562519e-02 4.84 -2.670051676e-02 -2.670051676e-02 4.86 -2.358364663e-02 -2.358364663e-02 4.88 -2.076670323e-02 -2.076670323e-02 4.90 -1.823150072e-02 -1.823150072e-02 4.92 -1.595975301e-02 -1.595975301e-02 4.94 -1.393295970e-02 -1.393295970e-02 4.96 -1.213223509e-02 -1.213223509e-02 4.98 -1.053916024e-02 -1.053916024e-02 5.00 -9.135561947e-03 -9.135561947e-03 5.02 -7.903636371e-03 -7.903636371e-03 5.04 -6.826200504e-03 -6.826200504e-03 5.06 -5.886906746e-03 -5.886906746e-03 5.08 -5.070409353e-03 -5.070409353e-03 5.10 -4.362479003e-03 -4.362479003e-03 5.12 -3.750067483e-03 -3.750067483e-03 5.14 -3.221328220e-03 -3.221328220e-03 5.16 -2.765600357e-03 -2.765600357e-03 5.18 -2.373364688e-03 -2.373364688e-03 5.20 -2.036179422e-03 -2.036179422e-03 5.22 -1.746602859e-03 -1.746602859e-03 5.24 -1.498108890e-03 -1.498108890e-03 5.26 -1.284999974e-03 -1.284999974e-03 5.28 -1.102321113e-03 -1.102321113e-03 5.30 -9.457772882e-04 -9.457772882e-04 5.32 -8.116560090e-04 -8.116560090e-04 5.34 -6.967559199e-04 -6.967559199e-04 5.36 -5.983219281e-04 -5.983219281e-04 5.38 -5.139869230e-04 -5.139869230e-04 5.40 -4.417199102e-04 -4.417199102e-04 5.42 -3.797802107e-04 -3.797802107e-04 5.44 -3.266772753e-04 -3.266772753e-04 5.46 -2.811356134e-04 -2.811356134e-04 5.48 -2.420643227e-04 -2.420643227e-04 5.50 -2.085307131e-04 -2.085307131e-04 5.52 -1.797375461e-04 -1.797375461e-04 5.54 -1.550034442e-04 -1.550034442e-04 5.56 -1.337460645e-04 -1.337460645e-04 5.58 -1.154676719e-04 -1.154676719e-04 5.60 -9.974278709e-05 -9.974278709e-05 5.62 -8.620762304e-05 -8.620762304e-05 5.64 -7.455105929e-05 -7.455105929e-05 5.66 -6.450693560e-05 -6.450693560e-05 5.68 -5.584747541e-05 -5.584747541e-05 5.70 -4.837767571e-05 -4.837767571e-05 5.72 -4.193052234e-05 -4.193052234e-05 5.74 -3.636290992e-05 -3.636290992e-05 5.76 -3.155216258e-05 -3.155216258e-05 5.78 -2.739306703e-05 -2.739306703e-05 5.80 -2.379534211e-05 -2.379534211e-05 5.82 -2.068148019e-05 -2.068148019e-05 5.84 -1.798490538e-05 -1.798490538e-05 5.86 -1.564840152e-05 -1.564840152e-05 5.88 -1.362277003e-05 -1.362277003e-05 5.90 -1.186568358e-05 -1.186568358e-05 5.92 -1.034070660e-05 -1.034070660e-05 5.94 -9.016458033e-06 -9.016458033e-06 5.96 -7.865895268e-06 -7.865895268e-06 5.98 -6.865701547e-06 -6.865701547e-06 6.00 -5.995761549e-06 -5.995761549e-06