# 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 = AgCuTa2 # 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 2.915819516e+02 2.915819516e+02 1.30 2.700064023e+02 2.700064023e+02 1.32 2.500413290e+02 2.500413290e+02 1.34 2.315560578e+02 2.315560578e+02 1.36 2.144325955e+02 2.144325955e+02 1.38 1.985641158e+02 1.985641158e+02 1.40 1.838535795e+02 1.838535795e+02 1.42 1.702126543e+02 1.702126543e+02 1.44 1.575604631e+02 1.575604631e+02 1.46 1.458220726e+02 1.458220726e+02 1.48 1.349271326e+02 1.349271326e+02 1.50 1.248090608e+02 1.248090608e+02 1.52 1.154049169e+02 1.154049169e+02 1.54 1.066559123e+02 1.066559123e+02 1.56 9.850829644e+01 9.850829644e+01 1.58 9.091416629e+01 9.091416629e+01 1.60 8.383175107e+01 8.383175107e+01 1.62 7.722498921e+01 7.722498921e+01 1.64 7.106255287e+01 7.106255287e+01 1.66 6.531667062e+01 6.531667062e+01 1.68 5.996207327e+01 5.996207327e+01 1.70 5.497521378e+01 5.497521378e+01 1.72 5.033375088e+01 5.033375088e+01 1.74 4.601623259e+01 4.601623259e+01 1.76 4.200193821e+01 4.200193821e+01 1.78 3.827085986e+01 3.827085986e+01 1.80 3.480595216e+01 3.480595216e+01 1.82 3.159641726e+01 3.159641726e+01 1.84 2.862506805e+01 2.862506805e+01 1.86 2.587521307e+01 2.587521307e+01 1.88 2.333138256e+01 2.333138256e+01 1.90 2.098009098e+01 2.098009098e+01 1.92 1.880790566e+01 1.880790566e+01 1.94 1.680170955e+01 1.680170955e+01 1.96 1.494892048e+01 1.494892048e+01 1.98 1.323747131e+01 1.323747131e+01 2.00 1.165588227e+01 1.165588227e+01 2.02 1.019340592e+01 1.019340592e+01 2.04 8.840203902e+00 8.840203902e+00 2.06 7.587494422e+00 7.587494422e+00 2.08 6.427612212e+00 6.427612212e+00 2.10 5.353955268e+00 5.353955268e+00 2.12 4.360837728e+00 4.360837728e+00 2.14 3.443296783e+00 3.443296783e+00 2.16 2.596902160e+00 2.596902160e+00 2.18 1.817598053e+00 1.817598053e+00 2.20 1.101585364e+00 1.101585364e+00 2.22 4.452371286e-01 4.452371286e-01 2.24 -1.549653161e-01 -1.549653161e-01 2.26 -7.024855704e-01 -7.024855704e-01 2.28 -1.200777933e+00 -1.200777933e+00 2.30 -1.653320168e+00 -1.653320168e+00 2.32 -2.063621634e+00 -2.063621634e+00 2.34 -2.435195907e+00 -2.435195907e+00 2.36 -2.771496501e+00 -2.771496501e+00 2.38 -3.075827995e+00 -3.075827995e+00 2.40 -3.351255022e+00 -3.351255022e+00 2.42 -3.600532029e+00 -3.600532029e+00 2.44 -3.826068216e+00 -3.826068216e+00 2.46 -4.029852903e+00 -4.029852903e+00 2.48 -4.213476719e+00 -4.213476719e+00 2.50 -4.378701427e+00 -4.378701427e+00 2.52 -4.527046810e+00 -4.527046810e+00 2.54 -4.659817547e+00 -4.659817547e+00 2.56 -4.778164909e+00 -4.778164909e+00 2.58 -4.883133713e+00 -4.883133713e+00 2.60 -4.975691169e+00 -4.975691169e+00 2.62 -5.056535220e+00 -5.056535220e+00 2.64 -5.126048586e+00 -5.126048586e+00 2.66 -5.184672280e+00 -5.184672280e+00 2.68 -5.232905806e+00 -5.232905806e+00 2.70 -5.271275638e+00 -5.271275638e+00 2.72 -5.300309754e+00 -5.300309754e+00 2.74 -5.320517814e+00 -5.320517814e+00 2.76 -5.332376735e+00 -5.332376735e+00 2.78 -5.336321883e+00 -5.336321883e+00 2.80 -5.332744119e+00 -5.332744119e+00 2.82 -5.321992457e+00 -5.321992457e+00 2.84 -5.304381158e+00 -5.304381158e+00 2.86 -5.280199403e+00 -5.280199403e+00 2.88 -5.249721437e+00 -5.249721437e+00 2.90 -5.213215400e+00 -5.213215400e+00 2.92 -5.170949701e+00 -5.170949701e+00 2.94 -5.123196416e+00 -5.123196416e+00 2.96 -5.070292912e+00 -5.070292912e+00 2.98 -5.012643460e+00 -5.012643460e+00 3.00 -4.950385915e+00 -4.950385915e+00 3.02 -4.883660890e+00 -4.883660890e+00 3.04 -4.812624198e+00 -4.812624198e+00 3.06 -4.737439646e+00 -4.737439646e+00 3.08 -4.658274046e+00 -4.658274046e+00 3.10 -4.575295056e+00 -4.575295056e+00 3.12 -4.488672351e+00 -4.488672351e+00 3.14 -4.398582655e+00 -4.398582655e+00 3.16 -4.305228200e+00 -4.305228200e+00 3.18 -4.208896657e+00 -4.208896657e+00 3.20 -4.109889393e+00 -4.109889393e+00 3.22 -4.008447884e+00 -4.008447884e+00 3.24 -3.904881325e+00 -3.904881325e+00 3.26 -3.799569252e+00 -3.799569252e+00 3.28 -3.692956362e+00 -3.692956362e+00 3.30 -3.585540182e+00 -3.585540182e+00 3.32 -3.477851875e+00 -3.477851875e+00 3.34 -3.370431615e+00 -3.370431615e+00 3.36 -3.263802554e+00 -3.263802554e+00 3.38 -3.158447441e+00 -3.158447441e+00 3.40 -3.054779173e+00 -3.054779173e+00 3.42 -2.953121257e+00 -2.953121257e+00 3.44 -2.853697278e+00 -2.853697278e+00 3.46 -2.756628287e+00 -2.756628287e+00 3.48 -2.661937502e+00 -2.661937502e+00 3.50 -2.569560892e+00 -2.569560892e+00 3.52 -2.479361858e+00 -2.479361858e+00 3.54 -2.391148232e+00 -2.391148232e+00 3.56 -2.304690084e+00 -2.304690084e+00 3.58 -2.219737234e+00 -2.219737234e+00 3.60 -2.136035808e+00 -2.136035808e+00 3.62 -2.053343489e+00 -2.053343489e+00 3.64 -1.971443360e+00 -1.971443360e+00 3.66 -1.890156285e+00 -1.890156285e+00 3.68 -1.809351763e+00 -1.809351763e+00 3.70 -1.728957031e+00 -1.728957031e+00 3.72 -1.648964041e+00 -1.648964041e+00 3.74 -1.569433771e+00 -1.569433771e+00 3.76 -1.490497253e+00 -1.490497253e+00 3.78 -1.412352711e+00 -1.412352711e+00 3.80 -1.335258428e+00 -1.335258428e+00 3.82 -1.259521289e+00 -1.259521289e+00 3.84 -1.185481426e+00 -1.185481426e+00 3.86 -1.113493942e+00 -1.113493942e+00 3.88 -1.043909156e+00 -1.043909156e+00 3.90 -9.770530859e-01 -9.770530859e-01 3.92 -9.132099880e-01 -9.132099880e-01 3.94 -8.526084456e-01 -8.526084456e-01 3.96 -7.954120761e-01 -7.954120761e-01 3.98 -7.417152777e-01 -7.417152777e-01 4.00 -6.915438135e-01 -6.915438135e-01 4.02 -6.448595293e-01 -6.448595293e-01 4.04 -6.015681757e-01 -6.015681757e-01 4.06 -5.615291841e-01 -5.615291841e-01 4.08 -5.245663054e-01 -5.245663054e-01 4.10 -4.904781951e-01 -4.904781951e-01 4.12 -4.590482775e-01 -4.590482775e-01 4.14 -4.300534354e-01 -4.300534354e-01 4.16 -4.032713450e-01 -4.032713450e-01 4.18 -3.784863875e-01 -3.784863875e-01 4.20 -3.554942204e-01 -3.554942204e-01 4.22 -3.341051445e-01 -3.341051445e-01 4.24 -3.141464300e-01 -3.141464300e-01 4.26 -2.954637619e-01 -2.954637619e-01 4.28 -2.779219409e-01 -2.779219409e-01 4.30 -2.614049508e-01 -2.614049508e-01 4.32 -2.458154704e-01 -2.458154704e-01 4.34 -2.310738889e-01 -2.310738889e-01 4.36 -2.171168704e-01 -2.171168704e-01 4.38 -2.038955091e-01 -2.038955091e-01 4.40 -1.913731392e-01 -1.913731392e-01 4.42 -1.795228758e-01 -1.795228758e-01 4.44 -1.683249761e-01 -1.683249761e-01 4.46 -1.577639770e-01 -1.577639770e-01 4.48 -1.478268205e-01 -1.478268205e-01 4.50 -1.385002680e-01 -1.385002680e-01 4.52 -1.297689988e-01 -1.297689988e-01 4.54 -1.216143872e-01 -1.216143872e-01 4.56 -1.140136723e-01 -1.140136723e-01 4.58 -1.069402269e-01 -1.069402269e-01 4.60 -1.003636957e-01 -1.003636957e-01 4.62 -9.425055220e-02 -9.425055220e-02 4.64 -8.856502788e-02 -8.856502788e-02 4.66 -8.327013147e-02 -8.327013147e-02 4.68 -7.832865868e-02 -7.832865868e-02 4.70 -7.370411976e-02 -7.370411976e-02 4.72 -6.936154042e-02 -6.936154042e-02 4.74 -6.526811697e-02 -6.526811697e-02 4.76 -6.139372583e-02 -6.139372583e-02 4.78 -5.771129923e-02 -5.771129923e-02 4.80 -5.419708394e-02 -5.419708394e-02 4.82 -5.083080544e-02 -5.083080544e-02 4.84 -4.759573467e-02 -4.759573467e-02 4.86 -4.447868817e-02 -4.447868817e-02 4.88 -4.146994868e-02 -4.146994868e-02 4.90 -3.856310687e-02 -3.856310687e-02 4.92 -3.575481979e-02 -3.575481979e-02 4.94 -3.304448182e-02 -3.304448182e-02 4.96 -3.043381442e-02 -3.043381442e-02 4.98 -2.792637038e-02 -2.792637038e-02 5.00 -2.552697802e-02 -2.552697802e-02 5.02 -2.324115229e-02 -2.324115229e-02 5.04 -2.107450472e-02 -2.107450472e-02 5.06 -1.903218977e-02 -1.903218977e-02 5.08 -1.711837076e-02 -1.711837076e-02 5.10 -1.533567920e-02 -1.533567920e-02 5.12 -1.368556652e-02 -1.368556652e-02 5.14 -1.216780663e-02 -1.216780663e-02 5.16 -1.078042739e-02 -1.078042739e-02 5.18 -9.519828057e-03 -9.519828057e-03 5.20 -8.380980813e-03 -8.380980813e-03 5.22 -7.357688068e-03 -7.357688068e-03 5.24 -6.442867225e-03 -6.442867225e-03 5.26 -5.628838139e-03 -5.628838139e-03 5.28 -4.907593602e-03 -4.907593602e-03 5.30 -4.271039134e-03 -4.271039134e-03 5.32 -3.711194155e-03 -3.711194155e-03 5.34 -3.220351544e-03 -3.220351544e-03 5.36 -2.791196401e-03 -2.791196401e-03 5.38 -2.416887484e-03 -2.416887484e-03 5.40 -2.091106300e-03 -2.091106300e-03 5.42 -1.808079516e-03 -1.808079516e-03 5.44 -1.562580351e-03 -1.562580351e-03 5.46 -1.349914219e-03 -1.349914219e-03 5.48 -1.165893204e-03 -1.165893204e-03 5.50 -1.006803241e-03 -1.006803241e-03 5.52 -8.693670620e-04 -8.693670620e-04 5.54 -7.507053070e-04 -7.507053070e-04 5.56 -6.482975635e-04 -6.482975635e-04 5.58 -5.599445785e-04 -5.599445785e-04 5.60 -4.837324852e-04 -4.837324852e-04 5.62 -4.179995545e-04 -4.179995545e-04 5.64 -3.613057380e-04 -3.613057380e-04 5.66 -3.124050906e-04 -3.124050906e-04 5.68 -2.702210355e-04 -2.702210355e-04 5.70 -2.338243503e-04 -2.338243503e-04 5.72 -2.024137007e-04 -2.024137007e-04 5.74 -1.752985179e-04 -1.752985179e-04 5.76 -1.518840046e-04 -1.518840046e-04 5.78 -1.316580536e-04 -1.316580536e-04 5.80 -1.141798719e-04 -1.141798719e-04 5.82 -9.907011136e-05 -9.907011136e-05 5.84 -8.600232663e-05 -8.600232663e-05 5.86 -7.469559448e-05 -7.469559448e-05 5.88 -6.490814612e-05 -6.490814612e-05 5.90 -5.643188003e-05 -5.643188003e-05 5.92 -4.908763847e-05 -4.908763847e-05 5.94 -4.272114413e-05 -4.272114413e-05 5.96 -3.719950717e-05 -3.719950717e-05 5.98 -3.240822366e-05 -3.240822366e-05 6.00 -2.824859731e-05 -2.824859731e-05