# 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 = Ag2FeMg # 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 2.782536831e+02 2.782536831e+02 1.30 2.565475734e+02 2.565475734e+02 1.32 2.365496191e+02 2.365496191e+02 1.34 2.181160274e+02 2.181160274e+02 1.36 2.011165275e+02 2.011165275e+02 1.38 1.854336029e+02 1.854336029e+02 1.40 1.709610641e+02 1.709610641e+02 1.42 1.576023411e+02 1.576023411e+02 1.44 1.452689719e+02 1.452689719e+02 1.46 1.338795536e+02 1.338795536e+02 1.48 1.233592586e+02 1.233592586e+02 1.50 1.136397094e+02 1.136397094e+02 1.52 1.046587256e+02 1.046587256e+02 1.54 9.635964677e+01 9.635964677e+01 1.56 8.869046048e+01 8.869046048e+01 1.58 8.160310275e+01 8.160310275e+01 1.60 7.505293923e+01 7.505293923e+01 1.62 6.899993779e+01 6.899993779e+01 1.64 6.340794195e+01 6.340794195e+01 1.66 5.824115151e+01 5.824115151e+01 1.68 5.346635750e+01 5.346635750e+01 1.70 4.905296807e+01 4.905296807e+01 1.72 4.497299139e+01 4.497299139e+01 1.74 4.120090464e+01 4.120090464e+01 1.76 3.771340207e+01 3.771340207e+01 1.78 3.448912194e+01 3.448912194e+01 1.80 3.150843630e+01 3.150843630e+01 1.82 2.875331052e+01 2.875331052e+01 1.84 2.620718223e+01 2.620718223e+01 1.86 2.385482841e+01 2.385482841e+01 1.88 2.168220525e+01 2.168220525e+01 1.90 1.967627532e+01 1.967627532e+01 1.92 1.782483931e+01 1.782483931e+01 1.94 1.611639771e+01 1.611639771e+01 1.96 1.454006719e+01 1.454006719e+01 1.98 1.308556548e+01 1.308556548e+01 2.00 1.174325377e+01 1.174325377e+01 2.02 1.050420474e+01 1.050420474e+01 2.04 9.360258451e+00 9.360258451e+00 2.06 8.304034131e+00 8.304034131e+00 2.08 7.328886740e+00 7.328886740e+00 2.10 6.428822658e+00 6.428822658e+00 2.12 5.598399505e+00 5.598399505e+00 2.14 4.832633212e+00 4.832633212e+00 2.16 4.126925107e+00 4.126925107e+00 2.18 3.477009926e+00 3.477009926e+00 2.20 2.878922886e+00 2.878922886e+00 2.22 2.328977829e+00 2.328977829e+00 2.24 1.823752773e+00 1.823752773e+00 2.26 1.360077657e+00 1.360077657e+00 2.28 9.350205074e-01 9.350205074e-01 2.30 5.458730617e-01 5.458730617e-01 2.32 1.901310220e-01 1.901310220e-01 2.34 -1.345244495e-01 -1.345244495e-01 2.36 -4.302475812e-01 -4.302475812e-01 2.38 -6.990464148e-01 -6.990464148e-01 2.40 -9.427994498e-01 -9.427994498e-01 2.42 -1.163270652e+00 -1.163270652e+00 2.44 -1.362121961e+00 -1.362121961e+00 2.46 -1.540924981e+00 -1.540924981e+00 2.48 -1.701170555e+00 -1.701170555e+00 2.50 -1.844276550e+00 -1.844276550e+00 2.52 -1.971593759e+00 -1.971593759e+00 2.54 -2.084413490e+00 -2.084413490e+00 2.56 -2.183960718e+00 -2.183960718e+00 2.58 -2.271397560e+00 -2.271397560e+00 2.60 -2.347824190e+00 -2.347824190e+00 2.62 -2.414270794e+00 -2.414270794e+00 2.64 -2.471686444e+00 -2.471686444e+00 2.66 -2.520925561e+00 -2.520925561e+00 2.68 -2.562853727e+00 -2.562853727e+00 2.70 -2.598157018e+00 -2.598157018e+00 2.72 -2.627011476e+00 -2.627011476e+00 2.74 -2.649585992e+00 -2.649585992e+00 2.76 -2.666065436e+00 -2.666065436e+00 2.78 -2.676651308e+00 -2.676651308e+00 2.80 -2.681563149e+00 -2.681563149e+00 2.82 -2.681037739e+00 -2.681037739e+00 2.84 -2.675337336e+00 -2.675337336e+00 2.86 -2.664750832e+00 -2.664750832e+00 2.88 -2.649573574e+00 -2.649573574e+00 2.90 -2.630102967e+00 -2.630102967e+00 2.92 -2.606636068e+00 -2.606636068e+00 2.94 -2.579467965e+00 -2.579467965e+00 2.96 -2.548891211e+00 -2.548891211e+00 2.98 -2.515196304e+00 -2.515196304e+00 3.00 -2.478674583e+00 -2.478674583e+00 3.02 -2.439636309e+00 -2.439636309e+00 3.04 -2.398354460e+00 -2.398354460e+00 3.06 -2.355096208e+00 -2.355096208e+00 3.08 -2.310129409e+00 -2.310129409e+00 3.10 -2.263716730e+00 -2.263716730e+00 3.12 -2.216108888e+00 -2.216108888e+00 3.14 -2.167540969e+00 -2.167540969e+00 3.16 -2.118228165e+00 -2.118228165e+00 3.18 -2.068350729e+00 -2.068350729e+00 3.20 -2.018065480e+00 -2.018065480e+00 3.22 -1.967528862e+00 -1.967528862e+00 3.24 -1.916900285e+00 -1.916900285e+00 3.26 -1.866343728e+00 -1.866343728e+00 3.28 -1.816027265e+00 -1.816027265e+00 3.30 -1.766120233e+00 -1.766120233e+00 3.32 -1.716788388e+00 -1.716788388e+00 3.34 -1.668187882e+00 -1.668187882e+00 3.36 -1.620459129e+00 -1.620459129e+00 3.38 -1.573721630e+00 -1.573721630e+00 3.40 -1.528070485e+00 -1.528070485e+00 3.42 -1.483575204e+00 -1.483575204e+00 3.44 -1.440280036e+00 -1.440280036e+00 3.46 -1.398206399e+00 -1.398206399e+00 3.48 -1.357356089e+00 -1.357356089e+00 3.50 -1.317715051e+00 -1.317715051e+00 3.52 -1.279257187e+00 -1.279257187e+00 3.54 -1.241947880e+00 -1.241947880e+00 3.56 -1.205747037e+00 -1.205747037e+00 3.58 -1.170611566e+00 -1.170611566e+00 3.60 -1.136497282e+00 -1.136497282e+00 3.62 -1.103360295e+00 -1.103360295e+00 3.64 -1.071157971e+00 -1.071157971e+00 3.66 -1.039849536e+00 -1.039849536e+00 3.68 -1.009396436e+00 -1.009396436e+00 3.70 -9.797625145e-01 -9.797625145e-01 3.72 -9.509140907e-01 -9.509140907e-01 3.74 -9.228199746e-01 -9.228199746e-01 3.76 -8.954514529e-01 -8.954514529e-01 3.78 -8.687822548e-01 -8.687822548e-01 3.80 -8.427884923e-01 -8.427884923e-01 3.82 -8.174485540e-01 -8.174485540e-01 3.84 -7.927429303e-01 -7.927429303e-01 3.86 -7.686539507e-01 -7.686539507e-01 3.88 -7.451654335e-01 -7.451654335e-01 3.90 -7.222622657e-01 -7.222622657e-01 3.92 -6.999298418e-01 -6.999298418e-01 3.94 -6.781541315e-01 -6.781541315e-01 3.96 -6.569205721e-01 -6.569205721e-01 3.98 -6.362143938e-01 -6.362143938e-01 4.00 -6.160203878e-01 -6.160203878e-01 4.02 -5.963229465e-01 -5.963229465e-01 4.04 -5.771062111e-01 -5.771062111e-01 4.06 -5.583543033e-01 -5.583543033e-01 4.08 -5.400516190e-01 -5.400516190e-01 4.10 -5.221828726e-01 -5.221828726e-01 4.12 -5.047347238e-01 -5.047347238e-01 4.14 -4.876942088e-01 -4.876942088e-01 4.16 -4.710505563e-01 -4.710505563e-01 4.18 -4.547952265e-01 -4.547952265e-01 4.20 -4.389222807e-01 -4.389222807e-01 4.22 -4.234286644e-01 -4.234286644e-01 4.24 -4.083143525e-01 -4.083143525e-01 4.26 -3.935823024e-01 -3.935823024e-01 4.28 -3.792381717e-01 -3.792381717e-01 4.30 -3.652897779e-01 -3.652897779e-01 4.32 -3.517463085e-01 -3.517463085e-01 4.34 -3.386173287e-01 -3.386173287e-01 4.36 -3.259116716e-01 -3.259116716e-01 4.38 -3.136363194e-01 -3.136363194e-01 4.40 -3.017953975e-01 -3.017953975e-01 4.42 -2.903893870e-01 -2.903893870e-01 4.44 -2.794146330e-01 -2.794146330e-01 4.46 -2.688631792e-01 -2.688631792e-01 4.48 -2.587229161e-01 -2.587229161e-01 4.50 -2.489779906e-01 -2.489779906e-01 4.52 -2.396094020e-01 -2.396094020e-01 4.54 -2.305957017e-01 -2.305957017e-01 4.56 -2.219137205e-01 -2.219137205e-01 4.58 -2.135392641e-01 -2.135392641e-01 4.60 -2.054477371e-01 -2.054477371e-01 4.62 -1.976146778e-01 -1.976146778e-01 4.64 -1.900162014e-01 -1.900162014e-01 4.66 -1.826293618e-01 -1.826293618e-01 4.68 -1.754324499e-01 -1.754324499e-01 4.70 -1.684052488e-01 -1.684052488e-01 4.72 -1.615292657e-01 -1.615292657e-01 4.74 -1.547879570e-01 -1.547879570e-01 4.76 -1.481669578e-01 -1.481669578e-01 4.78 -1.416543208e-01 -1.416543208e-01 4.80 -1.352405674e-01 -1.352405674e-01 4.82 -1.289197467e-01 -1.289197467e-01 4.84 -1.226883754e-01 -1.226883754e-01 4.86 -1.165465108e-01 -1.165465108e-01 4.88 -1.104976116e-01 -1.104976116e-01 4.90 -1.045485255e-01 -1.045485255e-01 4.92 -9.870933560e-02 -9.870933560e-02 4.94 -9.299304221e-02 -9.299304221e-02 4.96 -8.741506742e-02 -8.741506742e-02 4.98 -8.199258973e-02 -8.199258973e-02 5.00 -7.674373497e-02 -7.674373497e-02 5.02 -7.168667030e-02 -7.168667030e-02 5.04 -6.683866428e-02 -6.683866428e-02 5.06 -6.221518541e-02 -6.221518541e-02 5.08 -5.782911381e-02 -5.782911381e-02 5.10 -5.369012053e-02 -5.369012053e-02 5.12 -4.980425530e-02 -4.980425530e-02 5.14 -4.617378878e-02 -4.617378878e-02 5.16 -4.279727194e-02 -4.279727194e-02 5.18 -3.966979601e-02 -3.966979601e-02 5.20 -3.678308368e-02 -3.678308368e-02 5.22 -3.412616595e-02 -3.412616595e-02 5.24 -3.168719268e-02 -3.168719268e-02 5.26 -2.945277564e-02 -2.945277564e-02 5.28 -2.740836990e-02 -2.740836990e-02 5.30 -2.553919164e-02 -2.553919164e-02 5.32 -2.383067057e-02 -2.383067057e-02 5.34 -2.226861162e-02 -2.226861162e-02 5.36 -2.083945430e-02 -2.083945430e-02 5.38 -1.953053120e-02 -1.953053120e-02 5.40 -1.833019305e-02 -1.833019305e-02 5.42 -1.722783917e-02 -1.722783917e-02 5.44 -1.621391943e-02 -1.621391943e-02 5.46 -1.527989461e-02 -1.527989461e-02 5.48 -1.441816700e-02 -1.441816700e-02 5.50 -1.362199168e-02 -1.362199168e-02 5.52 -1.288537797e-02 -1.288537797e-02 5.54 -1.220298920e-02 -1.220298920e-02 5.56 -1.157004726e-02 -1.157004726e-02 5.58 -1.098224658e-02 -1.098224658e-02 5.60 -1.043568046e-02 -1.043568046e-02 5.62 -9.926780859e-03 -9.926780859e-03 5.64 -9.452271269e-03 -9.452271269e-03 5.66 -9.009131168e-03 -9.009131168e-03 5.68 -8.594569954e-03 -8.594569954e-03 5.70 -8.206007968e-03 -8.206007968e-03 5.72 -7.841062325e-03 -7.841062325e-03 5.74 -7.497535664e-03 -7.497535664e-03 5.76 -7.173406322e-03 -7.173406322e-03 5.78 -6.866818987e-03 -6.866818987e-03 5.80 -6.576075251e-03 -6.576075251e-03 5.82 -6.299623872e-03 -6.299623872e-03 5.84 -6.036050771e-03 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