# 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 = CoMg2Ni # 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 2.521015836e+02 2.521015836e+02 1.30 2.326729339e+02 2.326729339e+02 1.32 2.147570433e+02 2.147570433e+02 1.34 1.982267489e+02 1.982267489e+02 1.36 1.829675417e+02 1.829675417e+02 1.38 1.688770571e+02 1.688770571e+02 1.40 1.558631978e+02 1.558631978e+02 1.42 1.438419716e+02 1.438419716e+02 1.44 1.327357807e+02 1.327357807e+02 1.46 1.224724604e+02 1.224724604e+02 1.48 1.129850773e+02 1.129850773e+02 1.50 1.042120576e+02 1.042120576e+02 1.52 9.609715935e+01 9.609715935e+01 1.54 8.858918024e+01 8.858918024e+01 1.56 8.164151557e+01 8.164151557e+01 1.58 7.521200763e+01 7.521200763e+01 1.60 6.926212154e+01 6.926212154e+01 1.62 6.375549200e+01 6.375549200e+01 1.64 5.865891121e+01 5.865891121e+01 1.66 5.394171524e+01 5.394171524e+01 1.68 4.957558467e+01 4.957558467e+01 1.70 4.553440378e+01 4.553440378e+01 1.72 4.179406322e+01 4.179406322e+01 1.74 3.833219711e+01 3.833219711e+01 1.76 3.512796306e+01 3.512796306e+01 1.78 3.216197100e+01 3.216197100e+01 1.80 2.941632443e+01 2.941632443e+01 1.82 2.687466171e+01 2.687466171e+01 1.84 2.452209581e+01 2.452209581e+01 1.86 2.234505988e+01 2.234505988e+01 1.88 2.033109102e+01 2.033109102e+01 1.90 1.846861646e+01 1.846861646e+01 1.92 1.674678332e+01 1.674678332e+01 1.94 1.515536006e+01 1.515536006e+01 1.96 1.368471297e+01 1.368471297e+01 1.98 1.232583934e+01 1.232583934e+01 2.00 1.107041314e+01 1.107041314e+01 2.02 9.910802172e+00 9.910802172e+00 2.04 8.840038571e+00 8.840038571e+00 2.06 7.851748744e+00 7.851748744e+00 2.08 6.940067132e+00 6.940067132e+00 2.10 6.099561825e+00 6.099561825e+00 2.12 5.325182145e+00 5.325182145e+00 2.14 4.612226066e+00 4.612226066e+00 2.16 3.956319265e+00 3.956319265e+00 2.18 3.353393261e+00 3.353393261e+00 2.20 2.799660780e+00 2.799660780e+00 2.22 2.291584916e+00 2.291584916e+00 2.24 1.825851368e+00 1.825851368e+00 2.26 1.399347097e+00 1.399347097e+00 2.28 1.009143483e+00 1.009143483e+00 2.30 6.524867130e-01 6.524867130e-01 2.32 3.267833596e-01 3.267833596e-01 2.34 2.958869790e-02 2.958869790e-02 2.36 -2.414168777e-01 -2.414168777e-01 2.38 -4.882911523e-01 -4.882911523e-01 2.40 -7.129073026e-01 -7.129073026e-01 2.42 -9.169684609e-01 -9.169684609e-01 2.44 -1.102017453e+00 -1.102017453e+00 2.46 -1.269459759e+00 -1.269459759e+00 2.48 -1.420588501e+00 -1.420588501e+00 2.50 -1.556560170e+00 -1.556560170e+00 2.52 -1.678272378e+00 -1.678272378e+00 2.54 -1.786557455e+00 -1.786557455e+00 2.56 -1.882247891e+00 -1.882247891e+00 2.58 -1.966169587e+00 -1.966169587e+00 2.60 -2.039132168e+00 -2.039132168e+00 2.62 -2.101916870e+00 -2.101916870e+00 2.64 -2.155267070e+00 -2.155267070e+00 2.66 -2.199880703e+00 -2.199880703e+00 2.68 -2.236414061e+00 -2.236414061e+00 2.70 -2.265489913e+00 -2.265489913e+00 2.72 -2.287707736e+00 -2.287707736e+00 2.74 -2.303650419e+00 -2.303650419e+00 2.76 -2.313884296e+00 -2.313884296e+00 2.78 -2.318952381e+00 -2.318952381e+00 2.80 -2.319365203e+00 -2.319365203e+00 2.82 -2.315589626e+00 -2.315589626e+00 2.84 -2.308044400e+00 -2.308044400e+00 2.86 -2.297099611e+00 -2.297099611e+00 2.88 -2.283081177e+00 -2.283081177e+00 2.90 -2.266278278e+00 -2.266278278e+00 2.92 -2.246951802e+00 -2.246951802e+00 2.94 -2.225342407e+00 -2.225342407e+00 2.96 -2.201677424e+00 -2.201677424e+00 2.98 -2.176176153e+00 -2.176176153e+00 3.00 -2.149053217e+00 -2.149053217e+00 3.02 -2.120519616e+00 -2.120519616e+00 3.04 -2.090781039e+00 -2.090781039e+00 3.06 -2.060067812e+00 -2.060067812e+00 3.08 -2.028558434e+00 -2.028558434e+00 3.10 -1.996380468e+00 -1.996380468e+00 3.12 -1.963649979e+00 -1.963649979e+00 3.14 -1.930471542e+00 -1.930471542e+00 3.16 -1.896936256e+00 -1.896936256e+00 3.18 -1.863126164e+00 -1.863126164e+00 3.20 -1.829116578e+00 -1.829116578e+00 3.22 -1.794960207e+00 -1.794960207e+00 3.24 -1.760659600e+00 -1.760659600e+00 3.26 -1.726223798e+00 -1.726223798e+00 3.28 -1.691676947e+00 -1.691676947e+00 3.30 -1.657055037e+00 -1.657055037e+00 3.32 -1.622402081e+00 -1.622402081e+00 3.34 -1.587766067e+00 -1.587766067e+00 3.36 -1.553195193e+00 -1.553195193e+00 3.38 -1.518734868e+00 -1.518734868e+00 3.40 -1.484425712e+00 -1.484425712e+00 3.42 -1.450303104e+00 -1.450303104e+00 3.44 -1.416396710e+00 -1.416396710e+00 3.46 -1.382731520e+00 -1.382731520e+00 3.48 -1.349328590e+00 -1.349328590e+00 3.50 -1.316205869e+00 -1.316205869e+00 3.52 -1.283378881e+00 -1.283378881e+00 3.54 -1.250861231e+00 -1.250861231e+00 3.56 -1.218664964e+00 -1.218664964e+00 3.58 -1.186800813e+00 -1.186800813e+00 3.60 -1.155278401e+00 -1.155278401e+00 3.62 -1.124106422e+00 -1.124106422e+00 3.64 -1.093292867e+00 -1.093292867e+00 3.66 -1.062845321e+00 -1.062845321e+00 3.68 -1.032771369e+00 -1.032771369e+00 3.70 -1.003079147e+00 -1.003079147e+00 3.72 -9.737780230e-01 -9.737780230e-01 3.74 -9.448793910e-01 -9.448793910e-01 3.76 -9.163974998e-01 -9.163974998e-01 3.78 -8.883501997e-01 -8.883501997e-01 3.80 -8.607594510e-01 -8.607594510e-01 3.82 -8.336514184e-01 -8.336514184e-01 3.84 -8.070559928e-01 -8.070559928e-01 3.86 -7.810056519e-01 -7.810056519e-01 3.88 -7.555336784e-01 -7.555336784e-01 3.90 -7.306719000e-01 -7.306719000e-01 3.92 -7.064480391e-01 -7.064480391e-01 3.94 -6.828842695e-01 -6.828842695e-01 3.96 -6.599941239e-01 -6.599941239e-01 3.98 -6.377824225e-01 -6.377824225e-01 4.00 -6.162448636e-01 -6.162448636e-01 4.02 -5.953686447e-01 -5.953686447e-01 4.04 -5.751336821e-01 -5.751336821e-01 4.06 -5.555141885e-01 -5.555141885e-01 4.08 -5.364803820e-01 -5.364803820e-01 4.10 -5.179995916e-01 -5.179995916e-01 4.12 -5.000400772e-01 -5.000400772e-01 4.14 -4.825686313e-01 -4.825686313e-01 4.16 -4.655542326e-01 -4.655542326e-01 4.18 -4.489681922e-01 -4.489681922e-01 4.20 -4.327848011e-01 -4.327848011e-01 4.22 -4.169817966e-01 -4.169817966e-01 4.24 -4.015406563e-01 -4.015406563e-01 4.26 -3.864467222e-01 -3.864467222e-01 4.28 -3.716891695e-01 -3.716891695e-01 4.30 -3.572608459e-01 -3.572608459e-01 4.32 -3.431580309e-01 -3.431580309e-01 4.34 -3.293801694e-01 -3.293801694e-01 4.36 -3.159296320e-01 -3.159296320e-01 4.38 -3.028115250e-01 -3.028115250e-01 4.40 -2.900335285e-01 -2.900335285e-01 4.42 -2.776057014e-01 -2.776057014e-01 4.44 -2.655401629e-01 -2.655401629e-01 4.46 -2.538505639e-01 -2.538505639e-01 4.48 -2.425512997e-01 -2.425512997e-01 4.50 -2.316564757e-01 -2.316564757e-01 4.52 -2.211787047e-01 -2.211787047e-01 4.54 -2.111278713e-01 -2.111278713e-01 4.56 -2.015100192e-01 -2.015100192e-01 4.58 -1.923265090e-01 -1.923265090e-01 4.60 -1.835735500e-01 -1.835735500e-01 4.62 -1.752421488e-01 -1.752421488e-01 4.64 -1.673184548e-01 -1.673184548e-01 4.66 -1.597844334e-01 -1.597844334e-01 4.68 -1.526187682e-01 -1.526187682e-01 4.70 -1.457978866e-01 -1.457978866e-01 4.72 -1.392970142e-01 -1.392970142e-01 4.74 -1.330911834e-01 -1.330911834e-01 4.76 -1.271561460e-01 -1.271561460e-01 4.78 -1.214691623e-01 -1.214691623e-01 4.80 -1.160092496e-01 -1.160092496e-01 4.82 -1.107593565e-01 -1.107593565e-01 4.84 -1.057040929e-01 -1.057040929e-01 4.86 -1.008317649e-01 -1.008317649e-01 4.88 -9.613392037e-02 -9.613392037e-02 4.90 -9.160520641e-02 -9.160520641e-02 4.92 -8.724305156e-02 -8.724305156e-02 4.94 -8.304718603e-02 -8.304718603e-02 4.96 -7.901901579e-02 -7.901901579e-02 4.98 -7.516090093e-02 -7.516090093e-02 5.00 -7.147541993e-02 -7.147541993e-02 5.02 -6.796466414e-02 -6.796466414e-02 5.04 -6.462963818e-02 -6.462963818e-02 5.06 -6.146981904e-02 -6.146981904e-02 5.08 -5.848290381e-02 -5.848290381e-02 5.10 -5.566469595e-02 -5.566469595e-02 5.12 -5.300856947e-02 -5.300856947e-02 5.14 -5.050731160e-02 -5.050731160e-02 5.16 -4.815278088e-02 -4.815278088e-02 5.18 -4.593591985e-02 -4.593591985e-02 5.20 -4.384715896e-02 -4.384715896e-02 5.22 -4.187678361e-02 -4.187678361e-02 5.24 -4.001524612e-02 -4.001524612e-02 5.26 -3.825341468e-02 -3.825341468e-02 5.28 -3.658275944e-02 -3.658275944e-02 5.30 -3.499548083e-02 -3.499548083e-02 5.32 -3.348458735e-02 -3.348458735e-02 5.34 -3.204393084e-02 -3.204393084e-02 5.36 -3.066820649e-02 -3.066820649e-02 5.38 -2.935292311e-02 -2.935292311e-02 5.40 -2.809434896e-02 -2.809434896e-02 5.42 -2.688943681e-02 -2.688943681e-02 5.44 -2.573573215e-02 -2.573573215e-02 5.46 -2.463126868e-02 -2.463126868e-02 5.48 -2.357445606e-02 -2.357445606e-02 5.50 -2.256396580e-02 -2.256396580e-02 5.52 -2.159862160e-02 -2.159862160e-02 5.54 -2.067730054e-02 -2.067730054e-02 5.56 -1.979885057e-02 -1.979885057e-02 5.58 -1.896202823e-02 -1.896202823e-02 5.60 -1.816545859e-02 -1.816545859e-02 5.62 -1.740761690e-02 -1.740761690e-02 5.64 -1.668682965e-02 -1.668682965e-02 5.66 -1.600129128e-02 -1.600129128e-02 5.68 -1.534909165e-02 -1.534909165e-02 5.70 -1.472824977e-02 -1.472824977e-02 5.72 -1.413674945e-02 -1.413674945e-02 5.74 -1.357257292e-02 -1.357257292e-02 5.76 -1.303370479e-02 -1.303370479e-02 5.78 -1.251819996e-02 -1.251819996e-02 5.80 -1.202420472e-02 -1.202420472e-02 5.82 -1.154995114e-02 -1.154995114e-02 5.84 -1.109376582e-02 -1.109376582e-02 5.86 -1.065407466e-02 -1.065407466e-02 5.88 -1.022940446e-02 -1.022940446e-02 5.90 -9.818382521e-03 -9.818382521e-03 5.92 -9.419735162e-03 -9.419735162e-03 5.94 -9.032285827e-03 -9.032285827e-03 5.96 -8.654953594e-03 -8.654953594e-03 5.98 -8.286752531e-03 -8.286752531e-03 6.00 -7.926792276e-03 -7.926792276e-03