# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2 # composition = AgAuCu2 # 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 2022-05-24 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 3.761256038e+02 3.761256038e+02 1.12 3.466128985e+02 3.466128985e+02 1.14 3.195257324e+02 3.195257324e+02 1.16 2.946450870e+02 2.946450870e+02 1.18 2.717725233e+02 2.717725233e+02 1.20 2.507289130e+02 2.507289130e+02 1.22 2.313520065e+02 2.313520065e+02 1.24 2.134952308e+02 2.134952308e+02 1.26 1.970279739e+02 1.970279739e+02 1.28 1.818347152e+02 1.818347152e+02 1.30 1.678121692e+02 1.678121692e+02 1.32 1.548665119e+02 1.548665119e+02 1.34 1.429116848e+02 1.429116848e+02 1.36 1.318682737e+02 1.318682737e+02 1.38 1.216629122e+02 1.216629122e+02 1.40 1.122280904e+02 1.122280904e+02 1.42 1.035020117e+02 1.035020117e+02 1.44 9.542815145e+01 9.542815145e+01 1.46 8.795470962e+01 8.795470962e+01 1.48 8.103423935e+01 8.103423935e+01 1.50 7.462358427e+01 7.462358427e+01 1.52 6.868362583e+01 6.868362583e+01 1.54 6.317868170e+01 6.317868170e+01 1.56 5.807574418e+01 5.807574418e+01 1.58 5.334403112e+01 5.334403112e+01 1.60 4.895500396e+01 4.895500396e+01 1.62 4.488262610e+01 4.488262610e+01 1.64 4.110336493e+01 4.110336493e+01 1.66 3.759587128e+01 3.759587128e+01 1.68 3.434052992e+01 3.434052992e+01 1.70 3.131913431e+01 3.131913431e+01 1.72 2.851475195e+01 2.851475195e+01 1.74 2.591169460e+01 2.591169460e+01 1.76 2.349553020e+01 2.349553020e+01 1.78 2.125301604e+01 2.125301604e+01 1.80 1.917195191e+01 1.917195191e+01 1.82 1.724491491e+01 1.724491491e+01 1.84 1.546537089e+01 1.546537089e+01 1.86 1.382331869e+01 1.382331869e+01 1.88 1.230887592e+01 1.230887592e+01 1.90 1.091249272e+01 1.091249272e+01 1.92 9.625330605e+00 9.625330605e+00 1.94 8.439203324e+00 8.439203324e+00 1.96 7.346510401e+00 7.346510401e+00 1.98 6.340221220e+00 6.340221220e+00 2.00 5.413871493e+00 5.413871493e+00 2.02 4.561561666e+00 4.561561666e+00 2.04 3.777934784e+00 3.777934784e+00 2.06 3.058123827e+00 3.058123827e+00 2.08 2.397673882e+00 2.397673882e+00 2.10 1.792460011e+00 1.792460011e+00 2.12 1.238620707e+00 1.238620707e+00 2.14 7.325144553e-01 7.325144553e-01 2.16 2.706982052e-01 2.706982052e-01 2.18 -1.500943205e-01 -1.500943205e-01 2.20 -5.329383992e-01 -5.329383992e-01 2.22 -8.807274546e-01 -8.807274546e-01 2.24 -1.196163102e+00 -1.196163102e+00 2.26 -1.481752079e+00 -1.481752079e+00 2.28 -1.739813173e+00 -1.739813173e+00 2.30 -1.972494487e+00 -1.972494487e+00 2.32 -2.181798437e+00 -2.181798437e+00 2.34 -2.369590221e+00 -2.369590221e+00 2.36 -2.537601392e+00 -2.537601392e+00 2.38 -2.687418831e+00 -2.687418831e+00 2.40 -2.820476585e+00 -2.820476585e+00 2.42 -2.938059279e+00 -2.938059279e+00 2.44 -3.041319173e+00 -3.041319173e+00 2.46 -3.131301922e+00 -3.131301922e+00 2.48 -3.208973743e+00 -3.208973743e+00 2.50 -3.275246538e+00 -3.275246538e+00 2.52 -3.331065575e+00 -3.331065575e+00 2.54 -3.377238393e+00 -3.377238393e+00 2.56 -3.414501397e+00 -3.414501397e+00 2.58 -3.443614228e+00 -3.443614228e+00 2.60 -3.465779114e+00 -3.465779114e+00 2.62 -3.481455012e+00 -3.481455012e+00 2.64 -3.490824820e+00 -3.490824820e+00 2.66 -3.494142684e+00 -3.494142684e+00 2.68 -3.491711981e+00 -3.491711981e+00 2.70 -3.483869662e+00 -3.483869662e+00 2.72 -3.471040145e+00 -3.471040145e+00 2.74 -3.453633339e+00 -3.453633339e+00 2.76 -3.431973700e+00 -3.431973700e+00 2.78 -3.406393202e+00 -3.406393202e+00 2.80 -3.377192180e+00 -3.377192180e+00 2.82 -3.344636017e+00 -3.344636017e+00 2.84 -3.308952960e+00 -3.308952960e+00 2.86 -3.270344352e+00 -3.270344352e+00 2.88 -3.228995713e+00 -3.228995713e+00 2.90 -3.185092988e+00 -3.185092988e+00 2.92 -3.138825815e+00 -3.138825815e+00 2.94 -3.090392115e+00 -3.090392115e+00 2.96 -3.040003133e+00 -3.040003133e+00 2.98 -2.987886148e+00 -2.987886148e+00 3.00 -2.934284877e+00 -2.934284877e+00 3.02 -2.879457443e+00 -2.879457443e+00 3.04 -2.823671605e+00 -2.823671605e+00 3.06 -2.767197221e+00 -2.767197221e+00 3.08 -2.710296441e+00 -2.710296441e+00 3.10 -2.653212856e+00 -2.653212856e+00 3.12 -2.596161360e+00 -2.596161360e+00 3.14 -2.539320511e+00 -2.539320511e+00 3.16 -2.482828639e+00 -2.482828639e+00 3.18 -2.426784037e+00 -2.426784037e+00 3.20 -2.371248678e+00 -2.371248678e+00 3.22 -2.316254384e+00 -2.316254384e+00 3.24 -2.261809012e+00 -2.261809012e+00 3.26 -2.207909017e+00 -2.207909017e+00 3.28 -2.154538477e+00 -2.154538477e+00 3.30 -2.101680732e+00 -2.101680732e+00 3.32 -2.049321652e+00 -2.049321652e+00 3.34 -1.997453127e+00 -1.997453127e+00 3.36 -1.946075238e+00 -1.946075238e+00 3.38 -1.895193310e+00 -1.895193310e+00 3.40 -1.844834001e+00 -1.844834001e+00 3.42 -1.795018344e+00 -1.795018344e+00 3.44 -1.745778199e+00 -1.745778199e+00 3.46 -1.697149135e+00 -1.697149135e+00 3.48 -1.649168058e+00 -1.649168058e+00 3.50 -1.601870956e+00 -1.601870956e+00 3.52 -1.555290940e+00 -1.555290940e+00 3.54 -1.509456700e+00 -1.509456700e+00 3.56 -1.464391463e+00 -1.464391463e+00 3.58 -1.420112466e+00 -1.420112466e+00 3.60 -1.376630931e+00 -1.376630931e+00 3.62 -1.333952534e+00 -1.333952534e+00 3.64 -1.292078301e+00 -1.292078301e+00 3.66 -1.251005904e+00 -1.251005904e+00 3.68 -1.210731266e+00 -1.210731266e+00 3.70 -1.171250394e+00 -1.171250394e+00 3.72 -1.132561286e+00 -1.132561286e+00 3.74 -1.094665735e+00 -1.094665735e+00 3.76 -1.057570796e+00 -1.057570796e+00 3.78 -1.021289665e+00 -1.021289665e+00 3.80 -9.858417238e-01 -9.858417238e-01 3.82 -9.512516129e-01 -9.512516129e-01 3.84 -9.175472942e-01 -9.175472942e-01 3.86 -8.847572708e-01 -8.847572708e-01 3.88 -8.529072979e-01 -8.529072979e-01 3.90 -8.220170411e-01 -8.220170411e-01 3.92 -7.920971706e-01 -7.920971706e-01 3.94 -7.631472968e-01 -7.631472968e-01 3.96 -7.351524009e-01 -7.351524009e-01 3.98 -7.080937593e-01 -7.080937593e-01 4.00 -6.819330292e-01 -6.819330292e-01 4.02 -6.566259804e-01 -6.566259804e-01 4.04 -6.321215112e-01 -6.321215112e-01 4.06 -6.083639533e-01 -6.083639533e-01 4.08 -5.852952986e-01 -5.852952986e-01 4.10 -5.628572290e-01 -5.628572290e-01 4.12 -5.409929108e-01 -5.409929108e-01 4.14 -5.196485613e-01 -5.196485613e-01 4.16 -4.987748301e-01 -4.987748301e-01 4.18 -4.783280355e-01 -4.783280355e-01 4.20 -4.582712861e-01 -4.582712861e-01 4.22 -4.385754938e-01 -4.385754938e-01 4.24 -4.192202547e-01 -4.192202547e-01 4.26 -4.001945489e-01 -4.001945489e-01 4.28 -3.814971923e-01 -3.814971923e-01 4.30 -3.631369628e-01 -3.631369628e-01 4.32 -3.451323282e-01 -3.451323282e-01 4.34 -3.275107181e-01 -3.275107181e-01 4.36 -3.103073075e-01 -3.103073075e-01 4.38 -2.935633158e-01 -2.935633158e-01 4.40 -2.773238620e-01 -2.773238620e-01 4.42 -2.616354676e-01 -2.616354676e-01 4.44 -2.465433428e-01 -2.465433428e-01 4.46 -2.320886364e-01 -2.320886364e-01 4.48 -2.183058586e-01 -2.183058586e-01 4.50 -2.052206941e-01 -2.052206941e-01 4.52 -1.928483947e-01 -1.928483947e-01 4.54 -1.811928854e-01 -1.811928854e-01 4.56 -1.702466381e-01 -1.702466381e-01 4.58 -1.599912765e-01 -1.599912765e-01 4.60 -1.503987995e-01 -1.503987995e-01 4.62 -1.414332562e-01 -1.414332562e-01 4.64 -1.330526813e-01 -1.330526813e-01 4.66 -1.252111104e-01 -1.252111104e-01 4.68 -1.178605178e-01 -1.178605178e-01 4.70 -1.109525769e-01 -1.109525769e-01 4.72 -1.044401732e-01 -1.044401732e-01 4.74 -9.827852887e-02 -9.827852887e-02 4.76 -9.242603726e-02 -9.242603726e-02 4.78 -8.684599186e-02 -8.684599186e-02 4.80 -8.150623349e-02 -8.150623349e-02 4.82 -7.637947206e-02 -7.637947206e-02 4.84 -7.144353012e-02 -7.144353012e-02 4.86 -6.668140824e-02 -6.668140824e-02 4.88 -6.208118880e-02 -6.208118880e-02 4.90 -5.763578491e-02 -5.763578491e-02 4.92 -5.334253653e-02 -5.334253653e-02 4.94 -4.920265763e-02 -4.920265763e-02 4.96 -4.522054508e-02 -4.522054508e-02 4.98 -4.140297195e-02 -4.140297195e-02 5.00 -3.775820112e-02 -3.775820112e-02 5.02 -3.429506779e-02 -3.429506779e-02 5.04 -3.102208773e-02 -3.102208773e-02 5.06 -2.794665004e-02 -2.794665004e-02 5.08 -2.507434722e-02 -2.507434722e-02 5.10 -2.240848261e-02 -2.240848261e-02 5.12 -1.994977685e-02 -1.994977685e-02 5.14 -1.769627346e-02 -1.769627346e-02 5.16 -1.564342941e-02 -1.564342941e-02 5.18 -1.378435614e-02 -1.378435614e-02 5.20 -1.211017038e-02 -1.211017038e-02 5.22 -1.061031227e-02 -1.061031227e-02 5.24 -9.273022646e-03 -9.273022646e-03 5.26 -8.086177824e-03 -8.086177824e-03 5.28 -7.037281920e-03 -7.037281920e-03 5.30 -6.113814912e-03 -6.113814912e-03 5.32 -5.303534544e-03 -5.303534544e-03 5.34 -4.594707543e-03 -4.594707543e-03 5.36 -3.976274820e-03 -3.976274820e-03 5.38 -3.437958546e-03 -3.437958546e-03 5.40 -2.970320525e-03 -2.970320525e-03 5.42 -2.564781573e-03 -2.564781573e-03 5.44 -2.213611110e-03 -2.213611110e-03 5.46 -1.909895156e-03 -1.909895156e-03 5.48 -1.647489633e-03 -1.647489633e-03 5.50 -1.420964617e-03 -1.420964617e-03 5.52 -1.225543919e-03 -1.225543919e-03 5.54 -1.057043316e-03 -1.057043316e-03 5.56 -9.118097966e-04 -9.118097966e-04 5.58 -7.866634703e-04 -7.866634703e-04 5.60 -6.774155504e-04 -6.774155504e-04 5.62 -5.847235475e-04 -5.847235475e-04 5.64 -5.048683772e-04 -5.048683772e-04 5.66 -4.360665012e-04 -4.360665012e-04 5.68 -3.767792990e-04 -3.767792990e-04 5.70 -3.256807447e-04 -3.256807447e-04 5.72 -2.816289357e-04 -2.816289357e-04 5.74 -2.436411338e-04 -2.436411338e-04 5.76 -2.108719751e-04 -2.108719751e-04 5.78 -1.825945115e-04 -1.825945115e-04 5.80 -1.581837622e-04 -1.581837622e-04 5.82 -1.371024761e-04 -1.371024761e-04 5.84 -1.188888334e-04 -1.188888334e-04 5.86 -1.031458381e-04 -1.031458381e-04 5.88 -8.953218214e-05 -8.953218214e-05 5.90 -7.775438524e-05 -7.775438524e-05 5.92 -6.756003848e-05 -6.756003848e-05 5.94 -5.873200026e-05 -5.873200026e-05 5.96 -5.108341315e-05 -5.108341315e-05 5.98 -4.445342719e-05 -4.445342719e-05 6.00 -3.870353054e-05 -3.870353054e-05