# 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 = Mo2PdW # 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 3.814164775e+02 3.814164775e+02 1.30 3.531708174e+02 3.531708174e+02 1.32 3.270330951e+02 3.270330951e+02 1.34 3.028350993e+02 3.028350993e+02 1.36 2.804235041e+02 2.804235041e+02 1.38 2.596561190e+02 2.596561190e+02 1.40 2.404003036e+02 2.404003036e+02 1.42 2.225332463e+02 2.225332463e+02 1.44 2.059428957e+02 2.059428957e+02 1.46 1.905282767e+02 1.905282767e+02 1.48 1.761988331e+02 1.761988331e+02 1.50 1.628733040e+02 1.628733040e+02 1.52 1.504786979e+02 1.504786979e+02 1.54 1.389494551e+02 1.389494551e+02 1.56 1.282265489e+02 1.282265489e+02 1.58 1.182563411e+02 1.182563411e+02 1.60 1.089892945e+02 1.089892945e+02 1.62 1.003788238e+02 1.003788238e+02 1.64 9.238051458e+01 9.238051458e+01 1.66 8.495177390e+01 8.495177390e+01 1.68 7.805183861e+01 7.805183861e+01 1.70 7.164199302e+01 7.164199302e+01 1.72 6.568582695e+01 6.568582695e+01 1.74 6.014941904e+01 6.014941904e+01 1.76 5.500141074e+01 5.500141074e+01 1.78 5.021298194e+01 5.021298194e+01 1.80 4.575775128e+01 4.575775128e+01 1.82 4.161168796e+01 4.161168796e+01 1.84 3.775350733e+01 3.775350733e+01 1.86 3.416456042e+01 3.416456042e+01 1.88 3.084165723e+01 3.084165723e+01 1.90 2.777372267e+01 2.777372267e+01 1.92 2.494208572e+01 2.494208572e+01 1.94 2.232976771e+01 2.232976771e+01 1.96 1.992120296e+01 1.992120296e+01 1.98 1.770196234e+01 1.770196234e+01 2.00 1.565851391e+01 1.565851391e+01 2.02 1.377803095e+01 1.377803095e+01 2.04 1.204824712e+01 1.204824712e+01 2.06 1.045736051e+01 1.045736051e+01 2.08 8.993996254e+00 8.993996254e+00 2.10 7.647239115e+00 7.647239115e+00 2.12 6.406736451e+00 6.406736451e+00 2.14 5.262850307e+00 5.262850307e+00 2.16 4.206816053e+00 4.206816053e+00 2.18 3.230858686e+00 3.230858686e+00 2.20 2.328231319e+00 2.328231319e+00 2.22 1.493166662e+00 1.493166662e+00 2.24 7.207581098e-01 7.207581098e-01 2.26 6.801629184e-03 6.801629184e-03 2.28 -6.523693408e-01 -6.523693408e-01 2.30 -1.260032151e+00 -1.260032151e+00 2.32 -1.819193801e+00 -1.819193801e+00 2.34 -2.332677147e+00 -2.332677147e+00 2.36 -2.803176886e+00 -2.803176886e+00 2.38 -3.233290335e+00 -3.233290335e+00 2.40 -3.625529087e+00 -3.625529087e+00 2.42 -3.982317934e+00 -3.982317934e+00 2.44 -4.305986905e+00 -4.305986905e+00 2.46 -4.598752986e+00 -4.598752986e+00 2.48 -4.862652919e+00 -4.862652919e+00 2.50 -5.099701016e+00 -5.099701016e+00 2.52 -5.311783813e+00 -5.311783813e+00 2.54 -5.500612030e+00 -5.500612030e+00 2.56 -5.667713606e+00 -5.667713606e+00 2.58 -5.814437519e+00 -5.814437519e+00 2.60 -5.941969744e+00 -5.941969744e+00 2.62 -6.051358787e+00 -6.051358787e+00 2.64 -6.143534534e+00 -6.143534534e+00 2.66 -6.219001948e+00 -6.219001948e+00 2.68 -6.278360834e+00 -6.278360834e+00 2.70 -6.322480544e+00 -6.322480544e+00 2.72 -6.352213394e+00 -6.352213394e+00 2.74 -6.368402695e+00 -6.368402695e+00 2.76 -6.371885841e+00 -6.371885841e+00 2.78 -6.363494447e+00 -6.363494447e+00 2.80 -6.344050126e+00 -6.344050126e+00 2.82 -6.314108003e+00 -6.314108003e+00 2.84 -6.273828902e+00 -6.273828902e+00 2.86 -6.223415531e+00 -6.223415531e+00 2.88 -6.163510771e+00 -6.163510771e+00 2.90 -6.094606367e+00 -6.094606367e+00 2.92 -6.016865523e+00 -6.016865523e+00 2.94 -5.930575768e+00 -5.930575768e+00 2.96 -5.836140915e+00 -5.836140915e+00 2.98 -5.734065041e+00 -5.734065041e+00 3.00 -5.624949208e+00 -5.624949208e+00 3.02 -5.509536978e+00 -5.509536978e+00 3.04 -5.388582560e+00 -5.388582560e+00 3.06 -5.262778078e+00 -5.262778078e+00 3.08 -5.132727164e+00 -5.132727164e+00 3.10 -4.998927563e+00 -4.998927563e+00 3.12 -4.861764295e+00 -4.861764295e+00 3.14 -4.721513331e+00 -4.721513331e+00 3.16 -4.578354507e+00 -4.578354507e+00 3.18 -4.432391652e+00 -4.432391652e+00 3.20 -4.283677696e+00 -4.283677696e+00 3.22 -4.132242689e+00 -4.132242689e+00 3.24 -3.978123039e+00 -3.978123039e+00 3.26 -3.821390622e+00 -3.821390622e+00 3.28 -3.662180604e+00 -3.662180604e+00 3.30 -3.500716768e+00 -3.500716768e+00 3.32 -3.337332944e+00 -3.337332944e+00 3.34 -3.172488896e+00 -3.172488896e+00 3.36 -3.006778790e+00 -3.006778790e+00 3.38 -2.840930504e+00 -2.840930504e+00 3.40 -2.675794422e+00 -2.675794422e+00 3.42 -2.512321209e+00 -2.512321209e+00 3.44 -2.351529250e+00 -2.351529250e+00 3.46 -2.194463759e+00 -2.194463759e+00 3.48 -2.042150849e+00 -2.042150849e+00 3.50 -1.895550721e+00 -1.895550721e+00 3.52 -1.755514429e+00 -1.755514429e+00 3.54 -1.622748263e+00 -1.622748263e+00 3.56 -1.497788793e+00 -1.497788793e+00 3.58 -1.380990137e+00 -1.380990137e+00 3.60 -1.272523484e+00 -1.272523484e+00 3.62 -1.172387530e+00 -1.172387530e+00 3.64 -1.080427454e+00 -1.080427454e+00 3.66 -9.963596055e-01 -9.963596055e-01 3.68 -9.197990138e-01 -9.197990138e-01 3.70 -8.502871691e-01 -8.502871691e-01 3.72 -7.873180926e-01 -7.873180926e-01 3.74 -7.303613469e-01 -7.303613469e-01 3.76 -6.788812507e-01 -6.788812507e-01 3.78 -6.323520781e-01 -6.323520781e-01 3.80 -5.902693981e-01 -5.902693981e-01 3.82 -5.521579615e-01 -5.521579615e-01 3.84 -5.175766718e-01 -5.175766718e-01 3.86 -4.861212207e-01 -4.861212207e-01 3.88 -4.574249472e-01 -4.574249472e-01 3.90 -4.311584220e-01 -4.311584220e-01 3.92 -4.070281787e-01 -4.070281787e-01 3.94 -3.847749183e-01 -3.847749183e-01 3.96 -3.641714446e-01 -3.641714446e-01 3.98 -3.450204965e-01 -3.450204965e-01 4.00 -3.271525570e-01 -3.271525570e-01 4.02 -3.104236465e-01 -3.104236465e-01 4.04 -2.947131128e-01 -2.947131128e-01 4.06 -2.799213062e-01 -2.799213062e-01 4.08 -2.659671756e-01 -2.659671756e-01 4.10 -2.527858835e-01 -2.527858835e-01 4.12 -2.403258200e-01 -2.403258200e-01 4.14 -2.285457139e-01 -2.285457139e-01 4.16 -2.174117440e-01 -2.174117440e-01 4.18 -2.068947909e-01 -2.068947909e-01 4.20 -1.969680060e-01 -1.969680060e-01 4.22 -1.876048534e-01 -1.876048534e-01 4.24 -1.787777203e-01 -1.787777203e-01 4.26 -1.704571227e-01 -1.704571227e-01 4.28 -1.626114554e-01 -1.626114554e-01 4.30 -1.552071840e-01 -1.552071840e-01 4.32 -1.482093416e-01 -1.482093416e-01 4.34 -1.415821276e-01 -1.415821276e-01 4.36 -1.352895346e-01 -1.352895346e-01 4.38 -1.292965682e-01 -1.292965682e-01 4.40 -1.235693478e-01 -1.235693478e-01 4.42 -1.180755555e-01 -1.180755555e-01 4.44 -1.127848256e-01 -1.127848256e-01 4.46 -1.076690293e-01 -1.076690293e-01 4.48 -1.027024849e-01 -1.027024849e-01 4.50 -9.786212696e-02 -9.786212696e-02 4.52 -9.312766104e-02 -9.312766104e-02 4.54 -8.848172472e-02 -8.848172472e-02 4.56 -8.391006516e-02 -8.391006516e-02 4.58 -7.940173288e-02 -7.940173288e-02 4.60 -7.494928058e-02 -7.494928058e-02 4.62 -7.054894427e-02 -7.054894427e-02 4.64 -6.620077465e-02 -6.620077465e-02 4.66 -6.190867968e-02 -6.190867968e-02 4.68 -5.768033721e-02 -5.768033721e-02 4.70 -5.352694011e-02 -5.352694011e-02 4.72 -4.946274721e-02 -4.946274721e-02 4.74 -4.550443599e-02 -4.550443599e-02 4.76 -4.167027405e-02 -4.167027405e-02 4.78 -3.797914336e-02 -3.797914336e-02 4.80 -3.444949606e-02 -3.444949606e-02 4.82 -3.109832428e-02 -3.109832428e-02 4.84 -2.794021601e-02 -2.794021601e-02 4.86 -2.498661096e-02 -2.498661096e-02 4.88 -2.224528909e-02 -2.224528909e-02 4.90 -1.972012214e-02 -1.972012214e-02 4.92 -1.741108958e-02 -1.741108958e-02 4.94 -1.531419317e-02 -1.531419317e-02 4.96 -1.342255437e-02 -1.342255437e-02 4.98 -1.172693887e-02 -1.172693887e-02 5.00 -1.021596502e-02 -1.021596502e-02 5.02 -8.876762142e-03 -8.876762142e-03 5.04 -7.695582050e-03 -7.695582050e-03 5.06 -6.658333616e-03 -6.658333616e-03 5.08 -5.751024358e-03 -5.751024358e-03 5.10 -4.960104803e-03 -4.960104803e-03 5.12 -4.272720031e-03 -4.272720031e-03 5.14 -3.676878376e-03 -3.676878376e-03 5.16 -3.161550159e-03 -3.161550159e-03 5.18 -2.716710184e-03 -2.716710184e-03 5.20 -2.333337192e-03 -2.333337192e-03 5.22 -2.003382038e-03 -2.003382038e-03 5.24 -1.719714583e-03 -1.719714583e-03 5.26 -1.476057357e-03 -1.476057357e-03 5.28 -1.266912274e-03 -1.266912274e-03 5.30 -1.087485053e-03 -1.087485053e-03 5.32 -9.336106874e-04 -9.336106874e-04 5.34 -8.016822006e-04 -8.016822006e-04 5.36 -6.885841136e-04 -6.885841136e-04 5.38 -5.916313879e-04 -5.916313879e-04 5.40 -5.085141723e-04 -5.085141723e-04 5.42 -4.372483504e-04 -4.372483504e-04 5.44 -3.761316750e-04 -3.761316750e-04 5.46 -3.237051404e-04 -3.237051404e-04 5.48 -2.787191715e-04 -2.787191715e-04 5.50 -2.401041749e-04 -2.401041749e-04 5.52 -2.069449943e-04 -2.069449943e-04 5.54 -1.784588274e-04 -1.784588274e-04 5.56 -1.539761886e-04 -1.539761886e-04 5.58 -1.329245350e-04 -1.329245350e-04 5.60 -1.148142106e-04 -1.148142106e-04 5.62 -9.922639821e-05 -9.922639821e-05 5.64 -8.580280581e-05 -8.580280581e-05 5.66 -7.423684575e-05 -7.423684575e-05 5.68 -6.426609720e-05 -6.426609720e-05 5.70 -5.566586844e-05 -5.566586844e-05 5.72 -4.824370105e-05 -4.824370105e-05 5.74 -4.183467945e-05 -4.183467945e-05 5.76 -3.629742851e-05 -3.629742851e-05 5.78 -3.151069839e-05 -3.151069839e-05 5.80 -2.737045054e-05 -2.737045054e-05 5.82 -2.378737090e-05 -2.378737090e-05 5.84 -2.068474746e-05 -2.068474746e-05 5.86 -1.799665821e-05 -1.799665821e-05 5.88 -1.566642389e-05 -1.566642389e-05 5.90 -1.364528612e-05 -1.364528612e-05 5.92 -1.189127801e-05 -1.189127801e-05 5.94 -1.036825860e-05 -1.036825860e-05 5.96 -9.045087107e-06 -9.045087107e-06 5.98 -7.894916459e-06 -7.894916459e-06 6.00 -6.894588566e-06 -6.894588566e-06