# 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 = Ag2AuCo # 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 2.567182714e+02 2.567182714e+02 1.30 2.373468415e+02 2.373468415e+02 1.32 2.194431614e+02 2.194431614e+02 1.34 2.028876724e+02 2.028876724e+02 1.36 1.875712783e+02 1.875712783e+02 1.38 1.733946326e+02 1.733946326e+02 1.40 1.602672509e+02 1.602672509e+02 1.42 1.481065862e+02 1.481065862e+02 1.44 1.368371928e+02 1.368371928e+02 1.46 1.263899979e+02 1.263899979e+02 1.48 1.167017516e+02 1.167017516e+02 1.50 1.077146369e+02 1.077146369e+02 1.52 9.937579141e+01 9.937579141e+01 1.54 9.163665174e+01 9.163665174e+01 1.56 8.445234679e+01 8.445234679e+01 1.58 7.778130765e+01 7.778130765e+01 1.60 7.158504989e+01 7.158504989e+01 1.62 6.582801475e+01 6.582801475e+01 1.64 6.047795309e+01 6.047795309e+01 1.66 5.551543605e+01 5.551543605e+01 1.68 5.091654152e+01 5.091654152e+01 1.70 4.665707622e+01 4.665707622e+01 1.72 4.271240513e+01 4.271240513e+01 1.74 3.905928156e+01 3.905928156e+01 1.76 3.567624999e+01 3.567624999e+01 1.78 3.254348443e+01 3.254348443e+01 1.80 2.964268344e+01 2.964268344e+01 1.82 2.695699655e+01 2.695699655e+01 1.84 2.447094531e+01 2.447094531e+01 1.86 2.217031885e+01 2.217031885e+01 1.88 2.004204360e+01 2.004204360e+01 1.90 1.807403486e+01 1.807403486e+01 1.92 1.625504307e+01 1.625504307e+01 1.94 1.457451536e+01 1.457451536e+01 1.96 1.302250176e+01 1.302250176e+01 1.98 1.158962689e+01 1.158962689e+01 2.00 1.026711585e+01 1.026711585e+01 2.02 9.046831513e+00 9.046831513e+00 2.04 7.921280974e+00 7.921280974e+00 2.06 6.883577971e+00 6.883577971e+00 2.08 5.927376963e+00 5.927376963e+00 2.10 5.046803146e+00 5.046803146e+00 2.12 4.236394624e+00 4.236394624e+00 2.14 3.491061868e+00 3.491061868e+00 2.16 2.806063189e+00 2.806063189e+00 2.18 2.176992275e+00 2.176992275e+00 2.20 1.599772032e+00 1.599772032e+00 2.22 1.070647835e+00 1.070647835e+00 2.24 5.861747325e-01 5.861747325e-01 2.26 1.431968146e-01 1.431968146e-01 2.28 -2.611794528e-01 -2.611794528e-01 2.30 -6.296144663e-01 -6.296144663e-01 2.32 -9.645642013e-01 -9.645642013e-01 2.34 -1.268306392e+00 -1.268306392e+00 2.36 -1.542963366e+00 -1.542963366e+00 2.38 -1.790521456e+00 -1.790521456e+00 2.40 -2.012847396e+00 -2.012847396e+00 2.42 -2.211702359e+00 -2.211702359e+00 2.44 -2.388754257e+00 -2.388754257e+00 2.46 -2.545589973e+00 -2.545589973e+00 2.48 -2.683767463e+00 -2.683767463e+00 2.50 -2.804711205e+00 -2.804711205e+00 2.52 -2.909758580e+00 -2.909758580e+00 2.54 -3.000206751e+00 -3.000206751e+00 2.56 -3.077315836e+00 -3.077315836e+00 2.58 -3.142350225e+00 -3.142350225e+00 2.60 -3.196532874e+00 -3.196532874e+00 2.62 -3.240888477e+00 -3.240888477e+00 2.64 -3.276325037e+00 -3.276325037e+00 2.66 -3.303647625e+00 -3.303647625e+00 2.68 -3.323579652e+00 -3.323579652e+00 2.70 -3.336751444e+00 -3.336751444e+00 2.72 -3.343702320e+00 -3.343702320e+00 2.74 -3.344889281e+00 -3.344889281e+00 2.76 -3.340702712e+00 -3.340702712e+00 2.78 -3.331490794e+00 -3.331490794e+00 2.80 -3.317704920e+00 -3.317704920e+00 2.82 -3.299691216e+00 -3.299691216e+00 2.84 -3.277524605e+00 -3.277524605e+00 2.86 -3.251316782e+00 -3.251316782e+00 2.88 -3.221211345e+00 -3.221211345e+00 2.90 -3.187378288e+00 -3.187378288e+00 2.92 -3.150010930e+00 -3.150010930e+00 2.94 -3.109325368e+00 -3.109325368e+00 2.96 -3.065565914e+00 -3.065565914e+00 2.98 -3.019017974e+00 -3.019017974e+00 3.00 -2.969995502e+00 -2.969995502e+00 3.02 -2.918836730e+00 -2.918836730e+00 3.04 -2.865899615e+00 -2.865899615e+00 3.06 -2.811551882e+00 -2.811551882e+00 3.08 -2.756156463e+00 -2.756156463e+00 3.10 -2.700054873e+00 -2.700054873e+00 3.12 -2.643551952e+00 -2.643551952e+00 3.14 -2.586905117e+00 -2.586905117e+00 3.16 -2.530319870e+00 -2.530319870e+00 3.18 -2.473951538e+00 -2.473951538e+00 3.20 -2.417911782e+00 -2.417911782e+00 3.22 -2.362277757e+00 -2.362277757e+00 3.24 -2.307101876e+00 -2.307101876e+00 3.26 -2.252420703e+00 -2.252420703e+00 3.28 -2.198262130e+00 -2.198262130e+00 3.30 -2.144650605e+00 -2.144650605e+00 3.32 -2.091610526e+00 -2.091610526e+00 3.34 -2.039168128e+00 -2.039168128e+00 3.36 -1.987352227e+00 -1.987352227e+00 3.38 -1.936194159e+00 -1.936194159e+00 3.40 -1.885727198e+00 -1.885727198e+00 3.42 -1.835985677e+00 -1.835985677e+00 3.44 -1.787003954e+00 -1.787003954e+00 3.46 -1.738815367e+00 -1.738815367e+00 3.48 -1.691451240e+00 -1.691451240e+00 3.50 -1.644940005e+00 -1.644940005e+00 3.52 -1.599306478e+00 -1.599306478e+00 3.54 -1.554571291e+00 -1.554571291e+00 3.56 -1.510750498e+00 -1.510750498e+00 3.58 -1.467855341e+00 -1.467855341e+00 3.60 -1.425892178e+00 -1.425892178e+00 3.62 -1.384862543e+00 -1.384862543e+00 3.64 -1.344763349e+00 -1.344763349e+00 3.66 -1.305587208e+00 -1.305587208e+00 3.68 -1.267322857e+00 -1.267322857e+00 3.70 -1.229955675e+00 -1.229955675e+00 3.72 -1.193468266e+00 -1.193468266e+00 3.74 -1.157841081e+00 -1.157841081e+00 3.76 -1.123053051e+00 -1.123053051e+00 3.78 -1.089082190e+00 -1.089082190e+00 3.80 -1.055906156e+00 -1.055906156e+00 3.82 -1.023502717e+00 -1.023502717e+00 3.84 -9.918501268e-01 -9.918501268e-01 3.86 -9.609273784e-01 -9.609273784e-01 3.88 -9.307143408e-01 -9.307143408e-01 3.90 -9.011917802e-01 -9.011917802e-01 3.92 -8.723412788e-01 -8.723412788e-01 3.94 -8.441450818e-01 -8.441450818e-01 3.96 -8.165858887e-01 -8.165858887e-01 3.98 -7.896466448e-01 -7.896466448e-01 4.00 -7.633103599e-01 -7.633103599e-01 4.02 -7.375599975e-01 -7.375599975e-01 4.04 -7.123784729e-01 -7.123784729e-01 4.06 -6.877487915e-01 -6.877487915e-01 4.08 -6.636543480e-01 -6.636543480e-01 4.10 -6.400793970e-01 -6.400793970e-01 4.12 -6.170097062e-01 -6.170097062e-01 4.14 -5.944333227e-01 -5.944333227e-01 4.16 -5.723414639e-01 -5.723414639e-01 4.18 -5.507294068e-01 -5.507294068e-01 4.20 -5.295972898e-01 -5.295972898e-01 4.22 -5.089506925e-01 -5.089506925e-01 4.24 -4.888008561e-01 -4.888008561e-01 4.26 -4.691644198e-01 -4.691644198e-01 4.28 -4.500625915e-01 -4.500625915e-01 4.30 -4.315197435e-01 -4.315197435e-01 4.32 -4.135615142e-01 -4.135615142e-01 4.34 -3.962125883e-01 -3.962125883e-01 4.36 -3.794943961e-01 -3.794943961e-01 4.38 -3.634229982e-01 -3.634229982e-01 4.40 -3.480073988e-01 -3.480073988e-01 4.42 -3.332484582e-01 -3.332484582e-01 4.44 -3.191384789e-01 -3.191384789e-01 4.46 -3.056614417e-01 -3.056614417e-01 4.48 -2.927937835e-01 -2.927937835e-01 4.50 -2.805055624e-01 -2.805055624e-01 4.52 -2.687618371e-01 -2.687618371e-01 4.54 -2.575241049e-01 -2.575241049e-01 4.56 -2.467516736e-01 -2.467516736e-01 4.58 -2.364028855e-01 -2.364028855e-01 4.60 -2.264361535e-01 -2.264361535e-01 4.62 -2.168108013e-01 -2.168108013e-01 4.64 -2.074877295e-01 -2.074877295e-01 4.66 -1.984299399e-01 -1.984299399e-01 4.68 -1.896029627e-01 -1.896029627e-01 4.70 -1.809752258e-01 -1.809752258e-01 4.72 -1.725184058e-01 -1.725184058e-01 4.74 -1.642077875e-01 -1.642077875e-01 4.76 -1.560226488e-01 -1.560226488e-01 4.78 -1.479466729e-01 -1.479466729e-01 4.80 -1.399683731e-01 -1.399683731e-01 4.82 -1.320815093e-01 -1.320815093e-01 4.84 -1.242854274e-01 -1.242854274e-01 4.86 -1.165852949e-01 -1.165852949e-01 4.88 -1.089921431e-01 -1.089921431e-01 4.90 -1.015226625e-01 -1.015226625e-01 4.92 -9.419869721e-02 -9.419869721e-02 4.94 -8.704641318e-02 -8.704641318e-02 4.96 -8.009514922e-02 -8.009514922e-02 4.98 -7.337599991e-02 -7.337599991e-02 5.00 -6.692022118e-02 -6.692022118e-02 5.02 -6.075757997e-02 -6.075757997e-02 5.04 -5.491478482e-02 -5.491478482e-02 5.06 -4.941412731e-02 -4.941412731e-02 5.08 -4.427244299e-02 -4.427244299e-02 5.10 -3.950046396e-02 -3.950046396e-02 5.12 -3.510258033e-02 -3.510258033e-02 5.14 -3.107699356e-02 -3.107699356e-02 5.16 -2.741585150e-02 -2.741585150e-02 5.18 -2.410662155e-02 -2.410662155e-02 5.20 -2.113295221e-02 -2.113295221e-02 5.22 -1.847515895e-02 -1.847515895e-02 5.24 -1.611174720e-02 -1.611174720e-02 5.26 -1.401983227e-02 -1.401983227e-02 5.28 -1.217595568e-02 -1.217595568e-02 5.30 -1.055678493e-02 -1.055678493e-02 5.32 -9.139663552e-03 -9.139663552e-03 5.34 -7.903018454e-03 -7.903018454e-03 5.36 -6.826639350e-03 -6.826639350e-03 5.38 -5.891849195e-03 -5.891849195e-03 5.40 -5.081585860e-03 -5.081585860e-03 5.42 -4.380414668e-03 -4.380414668e-03 5.44 -3.774489554e-03 -3.774489554e-03 5.46 -3.251478150e-03 -3.251478150e-03 5.48 -2.800463373e-03 -2.800463373e-03 5.50 -2.411831532e-03 -2.411831532e-03 5.52 -2.077154573e-03 -2.077154573e-03 5.54 -1.789072062e-03 -1.789072062e-03 5.56 -1.541176842e-03 -1.541176842e-03 5.58 -1.327906958e-03 -1.327906958e-03 5.60 -1.144445413e-03 -1.144445413e-03 5.62 -9.866285613e-04 -9.866285613e-04 5.64 -8.508633651e-04 -8.508633651e-04 5.66 -7.340533843e-04 -7.340533843e-04 5.68 -6.335330814e-04 -6.335330814e-04 5.70 -5.470098926e-04 -5.470098926e-04 5.72 -4.725134166e-04 -4.725134166e-04 5.74 -4.083510476e-04 -4.083510476e-04 5.76 -3.530693781e-04 -3.530693781e-04 5.78 -3.054207271e-04 -3.054207271e-04 5.80 -2.643341868e-04 -2.643341868e-04 5.82 -2.288906336e-04 -2.288906336e-04 5.84 -1.983011978e-04 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