# 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 = MgTiZr2 # 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 4.141871312e+02 4.141871312e+02 1.30 3.850911303e+02 3.850911303e+02 1.32 3.581020476e+02 3.581020476e+02 1.34 3.330541692e+02 3.330541692e+02 1.36 3.097964799e+02 3.097964799e+02 1.38 2.881918324e+02 2.881918324e+02 1.40 2.681153810e+02 2.681153810e+02 1.42 2.494521564e+02 2.494521564e+02 1.44 2.320952548e+02 2.320952548e+02 1.46 2.159456751e+02 2.159456751e+02 1.48 2.009128709e+02 2.009128709e+02 1.50 1.869144457e+02 1.869144457e+02 1.52 1.738749206e+02 1.738749206e+02 1.54 1.617245290e+02 1.617245290e+02 1.56 1.503987864e+02 1.503987864e+02 1.58 1.398386845e+02 1.398386845e+02 1.60 1.299906011e+02 1.299906011e+02 1.62 1.208055740e+02 1.208055740e+02 1.64 1.122383039e+02 1.122383039e+02 1.66 1.042463666e+02 1.042463666e+02 1.68 9.678982113e+01 9.678982113e+01 1.70 8.983130646e+01 8.983130646e+01 1.72 8.333623570e+01 8.333623570e+01 1.74 7.727290009e+01 7.727290009e+01 1.76 7.161227590e+01 7.161227590e+01 1.78 6.632766204e+01 6.632766204e+01 1.80 6.139422490e+01 6.139422490e+01 1.82 5.678866398e+01 5.678866398e+01 1.84 5.248887596e+01 5.248887596e+01 1.86 4.847393101e+01 4.847393101e+01 1.88 4.472419863e+01 4.472419863e+01 1.90 4.122154923e+01 4.122154923e+01 1.92 3.794939818e+01 3.794939818e+01 1.94 3.489326941e+01 3.489326941e+01 1.96 3.203968192e+01 3.203968192e+01 1.98 2.937573840e+01 2.937573840e+01 2.00 2.688944659e+01 2.688944659e+01 2.02 2.456941828e+01 2.456941828e+01 2.04 2.240508112e+01 2.240508112e+01 2.06 2.038649102e+01 2.038649102e+01 2.08 1.850421258e+01 1.850421258e+01 2.10 1.674928142e+01 1.674928142e+01 2.12 1.511322921e+01 1.511322921e+01 2.14 1.358812442e+01 1.358812442e+01 2.16 1.216663196e+01 1.216663196e+01 2.18 1.084201119e+01 1.084201119e+01 2.20 9.608066696e+00 9.608066696e+00 2.22 8.459036114e+00 8.459036114e+00 2.24 7.389501366e+00 7.389501366e+00 2.26 6.394349076e+00 6.394349076e+00 2.28 5.468763633e+00 5.468763633e+00 2.30 4.608283394e+00 4.608283394e+00 2.32 3.808770292e+00 3.808770292e+00 2.34 3.066443172e+00 3.066443172e+00 2.36 2.377804168e+00 2.377804168e+00 2.38 1.739595360e+00 1.739595360e+00 2.40 1.148746070e+00 1.148746070e+00 2.42 6.023190353e-01 6.023190353e-01 2.44 9.748310309e-02 9.748310309e-02 2.46 -3.685125420e-01 -3.685125420e-01 2.48 -7.983355804e-01 -7.983355804e-01 2.50 -1.194551675e+00 -1.194551675e+00 2.52 -1.559594101e+00 -1.559594101e+00 2.54 -1.895730593e+00 -1.895730593e+00 2.56 -2.205036647e+00 -2.205036647e+00 2.58 -2.489383614e+00 -2.489383614e+00 2.60 -2.750446046e+00 -2.750446046e+00 2.62 -2.989721863e+00 -2.989721863e+00 2.64 -3.208583945e+00 -3.208583945e+00 2.66 -3.408284297e+00 -3.408284297e+00 2.68 -3.590002460e+00 -3.590002460e+00 2.70 -3.754857912e+00 -3.754857912e+00 2.72 -3.903919978e+00 -3.903919978e+00 2.74 -4.038235701e+00 -4.038235701e+00 2.76 -4.158880619e+00 -4.158880619e+00 2.78 -4.266676040e+00 -4.266676040e+00 2.80 -4.362392463e+00 -4.362392463e+00 2.82 -4.446757631e+00 -4.446757631e+00 2.84 -4.520466918e+00 -4.520466918e+00 2.86 -4.584179996e+00 -4.584179996e+00 2.88 -4.638523531e+00 -4.638523531e+00 2.90 -4.684094821e+00 -4.684094821e+00 2.92 -4.721392959e+00 -4.721392959e+00 2.94 -4.750697373e+00 -4.750697373e+00 2.96 -4.772281519e+00 -4.772281519e+00 2.98 -4.786456346e+00 -4.786456346e+00 3.00 -4.793596823e+00 -4.793596823e+00 3.02 -4.794044907e+00 -4.794044907e+00 3.04 -4.788141043e+00 -4.788141043e+00 3.06 -4.776255102e+00 -4.776255102e+00 3.08 -4.758751794e+00 -4.758751794e+00 3.10 -4.736002558e+00 -4.736002558e+00 3.12 -4.708371977e+00 -4.708371977e+00 3.14 -4.676230978e+00 -4.676230978e+00 3.16 -4.639931855e+00 -4.639931855e+00 3.18 -4.599819753e+00 -4.599819753e+00 3.20 -4.556183704e+00 -4.556183704e+00 3.22 -4.509293519e+00 -4.509293519e+00 3.24 -4.459427338e+00 -4.459427338e+00 3.26 -4.406870592e+00 -4.406870592e+00 3.28 -4.351914457e+00 -4.351914457e+00 3.30 -4.294852768e+00 -4.294852768e+00 3.32 -4.235976416e+00 -4.235976416e+00 3.34 -4.175565289e+00 -4.175565289e+00 3.36 -4.113879130e+00 -4.113879130e+00 3.38 -4.051149573e+00 -4.051149573e+00 3.40 -3.987573778e+00 -3.987573778e+00 3.42 -3.923320970e+00 -3.923320970e+00 3.44 -3.858524972e+00 -3.858524972e+00 3.46 -3.793298244e+00 -3.793298244e+00 3.48 -3.727736914e+00 -3.727736914e+00 3.50 -3.661927342e+00 -3.661927342e+00 3.52 -3.595951096e+00 -3.595951096e+00 3.54 -3.529887904e+00 -3.529887904e+00 3.56 -3.463816584e+00 -3.463816584e+00 3.58 -3.397814331e+00 -3.397814331e+00 3.60 -3.331954971e+00 -3.331954971e+00 3.62 -3.266306910e+00 -3.266306910e+00 3.64 -3.200931464e+00 -3.200931464e+00 3.66 -3.135882074e+00 -3.135882074e+00 3.68 -3.071204661e+00 -3.071204661e+00 3.70 -3.006939119e+00 -3.006939119e+00 3.72 -2.943121760e+00 -2.943121760e+00 3.74 -2.879788424e+00 -2.879788424e+00 3.76 -2.816977900e+00 -2.816977900e+00 3.78 -2.754735251e+00 -2.754735251e+00 3.80 -2.693114601e+00 -2.693114601e+00 3.82 -2.632180842e+00 -2.632180842e+00 3.84 -2.572009761e+00 -2.572009761e+00 3.86 -2.512695630e+00 -2.512695630e+00 3.88 -2.454331621e+00 -2.454331621e+00 3.90 -2.396997712e+00 -2.396997712e+00 3.92 -2.340766113e+00 -2.340766113e+00 3.94 -2.285709341e+00 -2.285709341e+00 3.96 -2.231872551e+00 -2.231872551e+00 3.98 -2.179286662e+00 -2.179286662e+00 4.00 -2.127963499e+00 -2.127963499e+00 4.02 -2.077897298e+00 -2.077897298e+00 4.04 -2.029067713e+00 -2.029067713e+00 4.06 -1.981441572e+00 -1.981441572e+00 4.08 -1.934966756e+00 -1.934966756e+00 4.10 -1.889578178e+00 -1.889578178e+00 4.12 -1.845233940e+00 -1.845233940e+00 4.14 -1.801873810e+00 -1.801873810e+00 4.16 -1.759450459e+00 -1.759450459e+00 4.18 -1.717921797e+00 -1.717921797e+00 4.20 -1.677250942e+00 -1.677250942e+00 4.22 -1.637405896e+00 -1.637405896e+00 4.24 -1.598359064e+00 -1.598359064e+00 4.26 -1.560086687e+00 -1.560086687e+00 4.28 -1.522568279e+00 -1.522568279e+00 4.30 -1.485786090e+00 -1.485786090e+00 4.32 -1.449724634e+00 -1.449724634e+00 4.34 -1.414370285e+00 -1.414370285e+00 4.36 -1.379710945e+00 -1.379710945e+00 4.38 -1.345735761e+00 -1.345735761e+00 4.40 -1.312434895e+00 -1.312434895e+00 4.42 -1.279799315e+00 -1.279799315e+00 4.44 -1.247820616e+00 -1.247820616e+00 4.46 -1.216490837e+00 -1.216490837e+00 4.48 -1.185802298e+00 -1.185802298e+00 4.50 -1.155747434e+00 -1.155747434e+00 4.52 -1.126318641e+00 -1.126318641e+00 4.54 -1.097508138e+00 -1.097508138e+00 4.56 -1.069307846e+00 -1.069307846e+00 4.58 -1.041709294e+00 -1.041709294e+00 4.60 -1.014703550e+00 -1.014703550e+00 4.62 -9.882811863e-01 -9.882811863e-01 4.64 -9.624322743e-01 -9.624322743e-01 4.66 -9.371464105e-01 -9.371464105e-01 4.68 -9.124127685e-01 -9.124127685e-01 4.70 -8.882201753e-01 -8.882201753e-01 4.72 -8.645572064e-01 -8.645572064e-01 4.74 -8.414122949e-01 -8.414122949e-01 4.76 -8.187738497e-01 -8.187738497e-01 4.78 -7.966303792e-01 -7.966303792e-01 4.80 -7.749643995e-01 -7.749643995e-01 4.82 -7.537784770e-01 -7.537784770e-01 4.84 -7.330547130e-01 -7.330547130e-01 4.86 -7.127832709e-01 -7.127832709e-01 4.88 -6.929549888e-01 -6.929549888e-01 4.90 -6.735614617e-01 -6.735614617e-01 4.92 -6.545950931e-01 -6.545950931e-01 4.94 -6.360491071e-01 -6.360491071e-01 4.96 -6.179175067e-01 -6.179175067e-01 4.98 -6.001949703e-01 -6.001949703e-01 5.00 -5.828766793e-01 -5.828766793e-01 5.02 -5.659580813e-01 -5.659580813e-01 5.04 -5.494346009e-01 -5.494346009e-01 5.06 -5.333013234e-01 -5.333013234e-01 5.08 -5.175526803e-01 -5.175526803e-01 5.10 -5.021821748e-01 -5.021821748e-01 5.12 -4.871821784e-01 -4.871821784e-01 5.14 -4.725438248e-01 -4.725438248e-01 5.16 -4.582570177e-01 -4.582570177e-01 5.18 -4.443105516e-01 -4.443105516e-01 5.20 -4.306923398e-01 -4.306923398e-01 5.22 -4.173897301e-01 -4.173897301e-01 5.24 -4.043898863e-01 -4.043898863e-01 5.26 -3.916802126e-01 -3.916802126e-01 5.28 -3.792487935e-01 -3.792487935e-01 5.30 -3.670848285e-01 -3.670848285e-01 5.32 -3.551790363e-01 -3.551790363e-01 5.34 -3.435240038e-01 -3.435240038e-01 5.36 -3.321144559e-01 -3.321144559e-01 5.38 -3.209474201e-01 -3.209474201e-01 5.40 -3.100222630e-01 -3.100222630e-01 5.42 -2.993405803e-01 -2.993405803e-01 5.44 -2.889059315e-01 -2.889059315e-01 5.46 -2.787234261e-01 -2.787234261e-01 5.48 -2.687991818e-01 -2.687991818e-01 5.50 -2.591396953e-01 -2.591396953e-01 5.52 -2.497511785e-01 -2.497511785e-01 5.54 -2.406389216e-01 -2.406389216e-01 5.56 -2.318067448e-01 -2.318067448e-01 5.58 -2.232565895e-01 -2.232565895e-01 5.60 -2.149882826e-01 -2.149882826e-01 5.62 -2.069994854e-01 -2.069994854e-01 5.64 -1.992858165e-01 -1.992858165e-01 5.66 -1.918411152e-01 -1.918411152e-01 5.68 -1.846578024e-01 -1.846578024e-01 5.70 -1.777272857e-01 -1.777272857e-01 5.72 -1.710403586e-01 -1.710403586e-01 5.74 -1.645875519e-01 -1.645875519e-01 5.76 -1.583594041e-01 -1.583594041e-01 5.78 -1.523466341e-01 -1.523466341e-01 5.80 -1.465402156e-01 -1.465402156e-01 5.82 -1.409313603e-01 -1.409313603e-01 5.84 -1.355114320e-01 -1.355114320e-01 5.86 -1.302718179e-01 -1.302718179e-01 5.88 -1.252037865e-01 -1.252037865e-01 5.90 -1.202983589e-01 -1.202983589e-01 5.92 -1.155460640e-01 -1.155460640e-01 5.94 -1.109371453e-01 -1.109371453e-01 5.96 -1.064616641e-01 -1.064616641e-01 5.98 -1.021093767e-01 -1.021093767e-01 6.00 -9.786988323e-02 -9.786988323e-02