# 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 = CoMoW2 # 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 3.340684591e+02 3.340684591e+02 1.30 3.078188796e+02 3.078188796e+02 1.32 2.836584288e+02 2.836584288e+02 1.34 2.613990479e+02 2.613990479e+02 1.36 2.408641027e+02 2.408641027e+02 1.38 2.218912304e+02 2.218912304e+02 1.40 2.043360198e+02 2.043360198e+02 1.42 1.880738777e+02 1.880738777e+02 1.44 1.729988012e+02 1.729988012e+02 1.46 1.590199780e+02 1.590199780e+02 1.48 1.460581199e+02 1.460581199e+02 1.50 1.340427174e+02 1.340427174e+02 1.52 1.229102934e+02 1.229102934e+02 1.54 1.126032968e+02 1.126032968e+02 1.56 1.030692670e+02 1.030692670e+02 1.58 9.425993939e+01 9.425993939e+01 1.60 8.613014646e+01 8.613014646e+01 1.62 7.863664714e+01 7.863664714e+01 1.64 7.173715600e+01 7.173715600e+01 1.66 6.538980061e+01 6.538980061e+01 1.68 5.955307687e+01 5.955307687e+01 1.70 5.418617258e+01 5.418617258e+01 1.72 4.924942327e+01 4.924942327e+01 1.74 4.470475094e+01 4.470475094e+01 1.76 4.051609577e+01 4.051609577e+01 1.78 3.664990003e+01 3.664990003e+01 1.80 3.307563432e+01 3.307563432e+01 1.82 2.976627085e+01 2.976627085e+01 1.84 2.669857019e+01 2.669857019e+01 1.86 2.385374789e+01 2.385374789e+01 1.88 2.121664591e+01 2.121664591e+01 1.90 1.877439455e+01 1.877439455e+01 1.92 1.651777435e+01 1.651777435e+01 1.94 1.443693006e+01 1.443693006e+01 1.96 1.252171637e+01 1.252171637e+01 1.98 1.076214403e+01 1.076214403e+01 2.00 9.148317498e+00 9.148317498e+00 2.02 7.670381353e+00 7.670381353e+00 2.04 6.318509900e+00 6.318509900e+00 2.06 5.082911789e+00 5.082911789e+00 2.08 3.953863178e+00 3.953863178e+00 2.10 2.921798191e+00 2.921798191e+00 2.12 1.977469405e+00 1.977469405e+00 2.14 1.112160431e+00 1.112160431e+00 2.16 3.179060509e-01 3.179060509e-01 2.18 -4.123343224e-01 -4.123343224e-01 2.20 -1.084592791e+00 -1.084592791e+00 2.22 -1.703914326e+00 -1.703914326e+00 2.24 -2.274468089e+00 -2.274468089e+00 2.26 -2.799712733e+00 -2.799712733e+00 2.28 -3.282575339e+00 -3.282575339e+00 2.30 -3.725612564e+00 -3.725612564e+00 2.32 -4.131136869e+00 -4.131136869e+00 2.34 -4.501303639e+00 -4.501303639e+00 2.36 -4.838163532e+00 -4.838163532e+00 2.38 -5.143688387e+00 -5.143688387e+00 2.40 -5.419779572e+00 -5.419779572e+00 2.42 -5.668266260e+00 -5.668266260e+00 2.44 -5.890898913e+00 -5.890898913e+00 2.46 -6.089341062e+00 -6.089341062e+00 2.48 -6.265118574e+00 -6.265118574e+00 2.50 -6.419562359e+00 -6.419562359e+00 2.52 -6.554174951e+00 -6.554174951e+00 2.54 -6.670360550e+00 -6.670360550e+00 2.56 -6.769396440e+00 -6.769396440e+00 2.58 -6.852442374e+00 -6.852442374e+00 2.60 -6.920548893e+00 -6.920548893e+00 2.62 -6.974663815e+00 -6.974663815e+00 2.64 -7.015597208e+00 -7.015597208e+00 2.66 -7.043639042e+00 -7.043639042e+00 2.68 -7.058832062e+00 -7.058832062e+00 2.70 -7.061285335e+00 -7.061285335e+00 2.72 -7.051083193e+00 -7.051083193e+00 2.74 -7.028461833e+00 -7.028461833e+00 2.76 -6.993834938e+00 -6.993834938e+00 2.78 -6.947648847e+00 -6.947648847e+00 2.80 -6.890377767e+00 -6.890377767e+00 2.82 -6.822536801e+00 -6.822536801e+00 2.84 -6.744688489e+00 -6.744688489e+00 2.86 -6.657332541e+00 -6.657332541e+00 2.88 -6.561001302e+00 -6.561001302e+00 2.90 -6.456160527e+00 -6.456160527e+00 2.92 -6.343279228e+00 -6.343279228e+00 2.94 -6.222941136e+00 -6.222941136e+00 2.96 -6.095828807e+00 -6.095828807e+00 2.98 -5.962619619e+00 -5.962619619e+00 3.00 -5.824025120e+00 -5.824025120e+00 3.02 -5.680816082e+00 -5.680816082e+00 3.04 -5.533777121e+00 -5.533777121e+00 3.06 -5.383657968e+00 -5.383657968e+00 3.08 -5.231128012e+00 -5.231128012e+00 3.10 -5.076740157e+00 -5.076740157e+00 3.12 -4.920908496e+00 -4.920908496e+00 3.14 -4.763901843e+00 -4.763901843e+00 3.16 -4.605852475e+00 -4.605852475e+00 3.18 -4.446777351e+00 -4.446777351e+00 3.20 -4.286608077e+00 -4.286608077e+00 3.22 -4.125225877e+00 -4.125225877e+00 3.24 -3.962498451e+00 -3.962498451e+00 3.26 -3.798316438e+00 -3.798316438e+00 3.28 -3.632627879e+00 -3.632627879e+00 3.30 -3.465469404e+00 -3.465469404e+00 3.32 -3.296992934e+00 -3.296992934e+00 3.34 -3.127486484e+00 -3.127486484e+00 3.36 -2.957387473e+00 -2.957387473e+00 3.38 -2.787286814e+00 -2.787286814e+00 3.40 -2.617922325e+00 -2.617922325e+00 3.42 -2.450160594e+00 -2.450160594e+00 3.44 -2.284967437e+00 -2.284967437e+00 3.46 -2.123368397e+00 -2.123368397e+00 3.48 -1.966402075e+00 -1.966402075e+00 3.50 -1.815070242e+00 -1.815070242e+00 3.52 -1.670289293e+00 -1.670289293e+00 3.54 -1.532847605e+00 -1.532847605e+00 3.56 -1.403372604e+00 -1.403372604e+00 3.58 -1.282310048e+00 -1.282310048e+00 3.60 -1.169916414e+00 -1.169916414e+00 3.62 -1.066263724e+00 -1.066263724e+00 3.64 -9.712548057e-01 -9.712548057e-01 3.66 -8.846462215e-01 -8.846462215e-01 3.68 -8.060757539e-01 -8.060757539e-01 3.70 -7.350915401e-01 -7.350915401e-01 3.72 -6.711804134e-01 -6.711804134e-01 3.74 -6.137936665e-01 -6.137936665e-01 3.76 -5.623691363e-01 -5.623691363e-01 3.78 -5.163491104e-01 -5.163491104e-01 3.80 -4.751940349e-01 -4.751940349e-01 3.82 -4.383923322e-01 -4.383923322e-01 3.84 -4.054668317e-01 -4.054668317e-01 3.86 -3.759784020e-01 -3.759784020e-01 3.88 -3.495273787e-01 -3.495273787e-01 3.90 -3.257533359e-01 -3.257533359e-01 3.92 -3.043336784e-01 -3.043336784e-01 3.94 -2.849814527e-01 -2.849814527e-01 3.96 -2.674426874e-01 -2.674426874e-01 3.98 -2.514935104e-01 -2.514935104e-01 4.00 -2.369372190e-01 -2.369372190e-01 4.02 -2.236014365e-01 -2.236014365e-01 4.04 -2.113354395e-01 -2.113354395e-01 4.06 -2.000077207e-01 -2.000077207e-01 4.08 -1.895038168e-01 -1.895038168e-01 4.10 -1.797243525e-01 -1.797243525e-01 4.12 -1.705834392e-01 -1.705834392e-01 4.14 -1.620076330e-01 -1.620076330e-01 4.16 -1.539344821e-01 -1.539344821e-01 4.18 -1.463115857e-01 -1.463115857e-01 4.20 -1.390957642e-01 -1.390957642e-01 4.22 -1.322522457e-01 -1.322522457e-01 4.24 -1.257537828e-01 -1.257537828e-01 4.26 -1.195796432e-01 -1.195796432e-01 4.28 -1.137144383e-01 -1.137144383e-01 4.30 -1.081467954e-01 -1.081467954e-01 4.32 -1.028679573e-01 -1.028679573e-01 4.34 -9.787039891e-02 -9.787039891e-02 4.36 -9.314659317e-02 -9.314659317e-02 4.38 -8.868790592e-02 -8.868790592e-02 4.40 -8.448413802e-02 -8.448413802e-02 4.42 -8.052355651e-02 -8.052355651e-02 4.44 -7.679255297e-02 -7.679255297e-02 4.46 -7.327596554e-02 -7.327596554e-02 4.48 -6.995754729e-02 -6.995754729e-02 4.50 -6.682047581e-02 -6.682047581e-02 4.52 -6.384782983e-02 -6.384782983e-02 4.54 -6.102298663e-02 -6.102298663e-02 4.56 -5.832992110e-02 -5.832992110e-02 4.58 -5.575340755e-02 -5.575340755e-02 4.60 -5.327913916e-02 -5.327913916e-02 4.62 -5.089378651e-02 -5.089378651e-02 4.64 -4.858501860e-02 -4.858501860e-02 4.66 -4.634150841e-02 -4.634150841e-02 4.68 -4.415294214e-02 -4.415294214e-02 4.70 -4.201004700e-02 -4.201004700e-02 4.72 -3.990464861e-02 -3.990464861e-02 4.74 -3.782976375e-02 -3.782976375e-02 4.76 -3.577972928e-02 -3.577972928e-02 4.78 -3.375036167e-02 -3.375036167e-02 4.80 -3.173913423e-02 -3.173913423e-02 4.82 -2.974535348e-02 -2.974535348e-02 4.84 -2.777030622e-02 -2.777030622e-02 4.86 -2.581734629e-02 -2.581734629e-02 4.88 -2.389188597e-02 -2.389188597e-02 4.90 -2.200126163e-02 -2.200126163e-02 4.92 -2.015445309e-02 -2.015445309e-02 4.94 -1.836165319e-02 -1.836165319e-02 4.96 -1.663354620e-02 -1.663354620e-02 4.98 -1.498087845e-02 -1.498087845e-02 5.00 -1.341393902e-02 -1.341393902e-02 5.02 -1.194166839e-02 -1.194166839e-02 5.04 -1.057112389e-02 -1.057112389e-02 5.06 -9.307109708e-03 -9.307109708e-03 5.08 -8.152000152e-03 -8.152000152e-03 5.10 -7.105757190e-03 -7.105757190e-03 5.12 -6.166118206e-03 -6.166118206e-03 5.14 -5.328912031e-03 -5.328912031e-03 5.16 -4.588453148e-03 -4.588453148e-03 5.18 -3.937964812e-03 -3.937964812e-03 5.20 -3.369989645e-03 -3.369989645e-03 5.22 -2.876757613e-03 -2.876757613e-03 5.24 -2.450493502e-03 -2.450493502e-03 5.26 -2.083656802e-03 -2.083656802e-03 5.28 -1.769115195e-03 -1.769115195e-03 5.30 -1.500258302e-03 -1.500258302e-03 5.32 -1.271061285e-03 -1.271061285e-03 5.34 -1.076108832e-03 -1.076108832e-03 5.36 -9.105896339e-04 -9.105896339e-04 5.38 -7.702702970e-04 -7.702702970e-04 5.40 -6.514560609e-04 -6.514560609e-04 5.42 -5.509441146e-04 -5.509441146e-04 5.44 -4.659738246e-04 -4.659738246e-04 5.46 -3.941769300e-04 -3.941769300e-04 5.48 -3.335297484e-04 -3.335297484e-04 5.50 -2.823086500e-04 -2.823086500e-04 5.52 -2.390494786e-04 -2.390494786e-04 5.54 -2.025111860e-04 -2.025111860e-04 5.56 -1.716436693e-04 -1.716436693e-04 5.58 -1.455596198e-04 -1.455596198e-04 5.60 -1.235100887e-04 -1.235100887e-04 5.62 -1.048634225e-04 -1.048634225e-04 5.64 -8.908720202e-05 -8.908720202e-05 5.66 -7.573282554e-05 -7.573282554e-05 5.68 -6.442239706e-05 -6.442239706e-05 5.70 -5.483760710e-05 -5.483760710e-05 5.72 -4.671032579e-05 -4.671032579e-05 5.74 -3.981465946e-05 -3.981465946e-05 5.76 -3.396025297e-05 -3.396025297e-05 5.78 -2.898664917e-05 -2.898664917e-05 5.80 -2.475854254e-05 -2.475854254e-05 5.82 -2.116178807e-05 -2.116178807e-05 5.84 -1.810004643e-05 -1.810004643e-05 5.86 -1.549196493e-05 -1.549196493e-05 5.88 -1.326880882e-05 -1.326880882e-05 5.90 -1.137247112e-05 -1.137247112e-05 5.92 -9.753800225e-06 -9.753800225e-06 5.94 -8.371194302e-06 -8.371194302e-06 5.96 -7.189419537e-06 -7.189419537e-06 5.98 -6.178616323e-06 -6.178616323e-06 6.00 -5.313463121e-06 -5.313463121e-06