# 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 = Co2CuW # 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 1.853165928e+02 1.853165928e+02 1.30 1.700287231e+02 1.700287231e+02 1.32 1.559826256e+02 1.559826256e+02 1.34 1.430693687e+02 1.430693687e+02 1.36 1.311875579e+02 1.311875579e+02 1.38 1.202446342e+02 1.202446342e+02 1.40 1.101578585e+02 1.101578585e+02 1.42 1.008543098e+02 1.008543098e+02 1.44 9.226954034e+01 9.226954034e+01 1.46 8.434572753e+01 8.434572753e+01 1.48 7.703048465e+01 7.703048465e+01 1.50 7.027645183e+01 7.027645183e+01 1.52 6.404097810e+01 6.404097810e+01 1.54 5.828555650e+01 5.828555650e+01 1.56 5.297520823e+01 5.297520823e+01 1.58 4.807798778e+01 4.807798778e+01 1.60 4.356458546e+01 4.356458546e+01 1.62 3.940792923e+01 3.940792923e+01 1.64 3.558271716e+01 3.558271716e+01 1.66 3.206495399e+01 3.206495399e+01 1.68 2.883214018e+01 2.883214018e+01 1.70 2.586261078e+01 2.586261078e+01 1.72 2.313521670e+01 2.313521670e+01 1.74 2.062975374e+01 2.062975374e+01 1.76 1.832823237e+01 1.832823237e+01 1.78 1.621372543e+01 1.621372543e+01 1.80 1.426995210e+01 1.426995210e+01 1.82 1.248244844e+01 1.248244844e+01 1.84 1.083857716e+01 1.083857716e+01 1.86 9.327356641e+00 9.327356641e+00 1.88 7.939177858e+00 7.939177858e+00 1.90 6.665475340e+00 6.665475340e+00 1.92 5.498414990e+00 5.498414990e+00 1.94 4.430659776e+00 4.430659776e+00 1.96 3.455247255e+00 3.455247255e+00 1.98 2.565563948e+00 2.565563948e+00 2.00 1.755366282e+00 1.755366282e+00 2.02 1.018792567e+00 1.018792567e+00 2.04 3.503295795e-01 3.503295795e-01 2.06 -2.552647649e-01 -2.552647649e-01 2.08 -8.030447783e-01 -8.030447783e-01 2.10 -1.297922202e+00 -1.297922202e+00 2.12 -1.744652338e+00 -1.744652338e+00 2.14 -2.147769012e+00 -2.147769012e+00 2.16 -2.511494210e+00 -2.511494210e+00 2.18 -2.839653584e+00 -2.839653584e+00 2.20 -3.135624298e+00 -3.135624298e+00 2.22 -3.402240210e+00 -3.402240210e+00 2.24 -3.642014255e+00 -3.642014255e+00 2.26 -3.857292370e+00 -3.857292370e+00 2.28 -4.050085137e+00 -4.050085137e+00 2.30 -4.222156372e+00 -4.222156372e+00 2.32 -4.375093245e+00 -4.375093245e+00 2.34 -4.510316622e+00 -4.510316622e+00 2.36 -4.628834381e+00 -4.628834381e+00 2.38 -4.731488320e+00 -4.731488320e+00 2.40 -4.819142312e+00 -4.819142312e+00 2.42 -4.892649616e+00 -4.892649616e+00 2.44 -4.952839950e+00 -4.952839950e+00 2.46 -5.000519922e+00 -5.000519922e+00 2.48 -5.036478199e+00 -5.036478199e+00 2.50 -5.061490670e+00 -5.061490670e+00 2.52 -5.076325061e+00 -5.076325061e+00 2.54 -5.081746302e+00 -5.081746302e+00 2.56 -5.078522005e+00 -5.078522005e+00 2.58 -5.067467426e+00 -5.067467426e+00 2.60 -5.049387137e+00 -5.049387137e+00 2.62 -5.024933436e+00 -5.024933436e+00 2.64 -4.994721851e+00 -4.994721851e+00 2.66 -4.959318269e+00 -4.959318269e+00 2.68 -4.919477591e+00 -4.919477591e+00 2.70 -4.875432901e+00 -4.875432901e+00 2.72 -4.827188449e+00 -4.827188449e+00 2.74 -4.774762894e+00 -4.774762894e+00 2.76 -4.718113085e+00 -4.718113085e+00 2.78 -4.657166546e+00 -4.657166546e+00 2.80 -4.591898390e+00 -4.591898390e+00 2.82 -4.522370094e+00 -4.522370094e+00 2.84 -4.448695411e+00 -4.448695411e+00 2.86 -4.371017893e+00 -4.371017893e+00 2.88 -4.289519068e+00 -4.289519068e+00 2.90 -4.204427662e+00 -4.204427662e+00 2.92 -4.116027418e+00 -4.116027418e+00 2.94 -4.024661625e+00 -4.024661625e+00 2.96 -3.930732892e+00 -3.930732892e+00 2.98 -3.834697127e+00 -3.834697127e+00 3.00 -3.737051131e+00 -3.737051131e+00 3.02 -3.638313887e+00 -3.638313887e+00 3.04 -3.539002581e+00 -3.539002581e+00 3.06 -3.439605694e+00 -3.439605694e+00 3.08 -3.340556739e+00 -3.340556739e+00 3.10 -3.242212806e+00 -3.242212806e+00 3.12 -3.144841376e+00 -3.144841376e+00 3.14 -3.048617086e+00 -3.048617086e+00 3.16 -2.953627897e+00 -2.953627897e+00 3.18 -2.859888406e+00 -2.859888406e+00 3.20 -2.767357342e+00 -2.767357342e+00 3.22 -2.675956529e+00 -2.675956529e+00 3.24 -2.585589360e+00 -2.585589360e+00 3.26 -2.496157603e+00 -2.496157603e+00 3.28 -2.407576001e+00 -2.407576001e+00 3.30 -2.319784456e+00 -2.319784456e+00 3.32 -2.232757696e+00 -2.232757696e+00 3.34 -2.146512332e+00 -2.146512332e+00 3.36 -2.061111120e+00 -2.061111120e+00 3.38 -1.976664188e+00 -1.976664188e+00 3.40 -1.893327029e+00 -1.893327029e+00 3.42 -1.811295176e+00 -1.811295176e+00 3.44 -1.730795689e+00 -1.730795689e+00 3.46 -1.652075939e+00 -1.652075939e+00 3.48 -1.575390447e+00 -1.575390447e+00 3.50 -1.500986885e+00 -1.500986885e+00 3.52 -1.429092451e+00 -1.429092451e+00 3.54 -1.359901855e+00 -1.359901855e+00 3.56 -1.293567966e+00 -1.293567966e+00 3.58 -1.230195809e+00 -1.230195809e+00 3.60 -1.169840219e+00 -1.169840219e+00 3.62 -1.112507001e+00 -1.112507001e+00 3.64 -1.058157133e+00 -1.058157133e+00 3.66 -1.006713280e+00 -1.006713280e+00 3.68 -9.580677938e-01 -9.580677938e-01 3.70 -9.120913719e-01 -9.120913719e-01 3.72 -8.686416237e-01 -8.686416237e-01 3.74 -8.275709240e-01 -8.275709240e-01 3.76 -7.887330697e-01 -7.887330697e-01 3.78 -7.519884051e-01 -7.519884051e-01 3.80 -7.172072256e-01 -7.172072256e-01 3.82 -6.842714259e-01 -6.842714259e-01 3.84 -6.530745227e-01 -6.530745227e-01 3.86 -6.235203395e-01 -6.235203395e-01 3.88 -5.955207794e-01 -5.955207794e-01 3.90 -5.689931836e-01 -5.689931836e-01 3.92 -5.438577709e-01 -5.438577709e-01 3.94 -5.200355610e-01 -5.200355610e-01 3.96 -4.974470279e-01 -4.974470279e-01 3.98 -4.760115586e-01 -4.760115586e-01 4.00 -4.556476353e-01 -4.556476353e-01 4.02 -4.362735615e-01 -4.362735615e-01 4.04 -4.178085193e-01 -4.178085193e-01 4.06 -4.001737601e-01 -4.001737601e-01 4.08 -3.832937860e-01 -3.832937860e-01 4.10 -3.670974356e-01 -3.670974356e-01 4.12 -3.515188432e-01 -3.515188432e-01 4.14 -3.364982676e-01 -3.364982676e-01 4.16 -3.219828045e-01 -3.219828045e-01 4.18 -3.079269805e-01 -3.079269805e-01 4.20 -2.942932083e-01 -2.942932083e-01 4.22 -2.810520596e-01 -2.810520596e-01 4.24 -2.681822911e-01 -2.681822911e-01 4.26 -2.556705625e-01 -2.556705625e-01 4.28 -2.435108078e-01 -2.435108078e-01 4.30 -2.317032647e-01 -2.317032647e-01 4.32 -2.202532245e-01 -2.202532245e-01 4.34 -2.091696102e-01 -2.091696102e-01 4.36 -1.984635155e-01 -1.984635155e-01 4.38 -1.881468273e-01 -1.881468273e-01 4.40 -1.782310124e-01 -1.782310124e-01 4.42 -1.687261010e-01 -1.687261010e-01 4.44 -1.596398547e-01 -1.596398547e-01 4.46 -1.509770877e-01 -1.509770877e-01 4.48 -1.427391181e-01 -1.427391181e-01 4.50 -1.349233445e-01 -1.349233445e-01 4.52 -1.275229714e-01 -1.275229714e-01 4.54 -1.205269141e-01 -1.205269141e-01 4.56 -1.139199087e-01 -1.139199087e-01 4.58 -1.076828372e-01 -1.076828372e-01 4.60 -1.017932494e-01 -1.017932494e-01 4.62 -9.622604052e-02 -9.622604052e-02 4.64 -9.095397360e-02 -9.095397360e-02 4.66 -8.594899557e-02 -8.594899557e-02 4.68 -8.118311339e-02 -8.118311339e-02 4.70 -7.662877471e-02 -7.662877471e-02 4.72 -7.225965886e-02 -7.225965886e-02 4.74 -6.805138863e-02 -6.805138863e-02 4.76 -6.398216629e-02 -6.398216629e-02 4.78 -6.003333749e-02 -6.003333749e-02 4.80 -5.618988071e-02 -5.618988071e-02 4.82 -5.244080987e-02 -5.244080987e-02 4.84 -4.877946311e-02 -4.877946311e-02 4.86 -4.520364293e-02 -4.520364293e-02 4.88 -4.171556323e-02 -4.171556323e-02 4.90 -3.832156344e-02 -3.832156344e-02 4.92 -3.503156393e-02 -3.503156393e-02 4.94 -3.185826281e-02 -3.185826281e-02 4.96 -2.881610968e-02 -2.881610968e-02 4.98 -2.592012778e-02 -2.592012778e-02 5.00 -2.318468970e-02 -2.318468970e-02 5.02 -2.062236694e-02 -2.062236694e-02 5.04 -1.824296759e-02 -1.824296759e-02 5.06 -1.605285315e-02 -1.605285315e-02 5.08 -1.405437993e-02 -1.405437993e-02 5.10 -1.224614885e-02 -1.224614885e-02 5.12 -1.062359668e-02 -1.062359668e-02 5.14 -9.179004268e-03 -9.179004268e-03 5.16 -7.902151929e-03 -7.902151929e-03 5.18 -6.781032886e-03 -6.781032886e-03 5.20 -5.802546320e-03 -5.802546320e-03 5.22 -4.953117955e-03 -4.953117955e-03 5.24 -4.219217402e-03 -4.219217402e-03 5.26 -3.587760292e-03 -3.587760292e-03 5.28 -3.046397434e-03 -3.046397434e-03 5.30 -2.583702599e-03 -2.583702599e-03 5.32 -2.189275422e-03 -2.189275422e-03 5.34 -1.853777453e-03 -1.853777453e-03 5.36 -1.568918643e-03 -1.568918643e-03 5.38 -1.327409421e-03 -1.327409421e-03 5.40 -1.122890899e-03 -1.122890899e-03 5.42 -9.498529809e-04 -9.498529809e-04 5.44 -8.035476431e-04 -8.035476431e-04 5.46 -6.799025291e-04 -6.799025291e-04 5.48 -5.754382629e-04 -5.754382629e-04 5.50 -4.871915697e-04 -4.871915697e-04 5.52 -4.126453147e-04 -4.126453147e-04 5.54 -3.496658739e-04 -3.496658739e-04 5.56 -2.964477875e-04 -2.964477875e-04 5.58 -2.514653466e-04 -2.514653466e-04 5.60 -2.134305915e-04 -2.134305915e-04 5.62 -1.812571143e-04 -1.812571143e-04 5.64 -1.540290298e-04 -1.540290298e-04 5.66 -1.309744942e-04 -1.309744942e-04 5.68 -1.114431847e-04 -1.114431847e-04 5.70 -9.488720197e-05 -9.488720197e-05 5.72 -8.084491402e-05 -8.084491402e-05 5.74 -6.892731244e-05 -6.892731244e-05 5.76 -5.880650764e-05 -5.880650764e-05 5.78 -5.020603876e-05 -5.020603876e-05 5.80 -4.289271881e-05 -4.289271881e-05 5.82 -3.666977607e-05 -3.666977607e-05 5.84 -3.137108822e-05 -3.137108822e-05 5.86 -2.685633614e-05 -2.685633614e-05 5.88 -2.300693125e-05 -2.300693125e-05 5.90 -1.972259284e-05 -1.972259284e-05 5.92 -1.691847122e-05 -1.691847122e-05 5.94 -1.452272928e-05 -1.452272928e-05 5.96 -1.247450874e-05 -1.247450874e-05 5.98 -1.072221931e-05 -1.072221931e-05 6.00 -9.222098936e-06 -9.222098936e-06