# 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 = AgAlCu2 # 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 1.202583545e+02 1.202583545e+02 1.30 1.110934996e+02 1.110934996e+02 1.32 1.026177001e+02 1.026177001e+02 1.34 9.477590121e+01 9.477590121e+01 1.36 8.751798633e+01 8.751798633e+01 1.38 8.079892226e+01 8.079892226e+01 1.40 7.457801505e+01 7.457801505e+01 1.42 6.881773900e+01 6.881773900e+01 1.44 6.348247405e+01 6.348247405e+01 1.46 5.853773245e+01 5.853773245e+01 1.48 5.395054103e+01 5.395054103e+01 1.50 4.969077530e+01 4.969077530e+01 1.52 4.573222781e+01 4.573222781e+01 1.54 4.205244383e+01 4.205244383e+01 1.56 3.863191445e+01 3.863191445e+01 1.58 3.545372759e+01 3.545372759e+01 1.60 3.250255170e+01 3.250255170e+01 1.62 2.976299729e+01 2.976299729e+01 1.64 2.722031467e+01 2.722031467e+01 1.66 2.486077417e+01 2.486077417e+01 1.68 2.267142259e+01 2.267142259e+01 1.70 2.064004318e+01 2.064004318e+01 1.72 1.875524219e+01 1.875524219e+01 1.74 1.700647985e+01 1.700647985e+01 1.76 1.538400786e+01 1.538400786e+01 1.78 1.387880311e+01 1.387880311e+01 1.80 1.248255949e+01 1.248255949e+01 1.82 1.118771101e+01 1.118771101e+01 1.84 9.987416004e+00 9.987416004e+00 1.86 8.875460476e+00 8.875460476e+00 1.88 7.846095604e+00 7.846095604e+00 1.90 6.893859229e+00 6.893859229e+00 1.92 6.013434233e+00 6.013434233e+00 1.94 5.199586059e+00 5.199586059e+00 1.96 4.447198356e+00 4.447198356e+00 1.98 3.751390294e+00 3.751390294e+00 2.00 3.107666531e+00 3.107666531e+00 2.02 2.512039444e+00 2.512039444e+00 2.04 1.961074761e+00 1.961074761e+00 2.06 1.451842573e+00 1.451842573e+00 2.08 9.817965776e-01 9.817965776e-01 2.10 5.486318460e-01 5.486318460e-01 2.12 1.501678819e-01 1.501678819e-01 2.14 -2.157215745e-01 -2.157215745e-01 2.16 -5.511345707e-01 -5.511345707e-01 2.18 -8.581363857e-01 -8.581363857e-01 2.20 -1.138738299e+00 -1.138738299e+00 2.22 -1.394870709e+00 -1.394870709e+00 2.24 -1.628359211e+00 -1.628359211e+00 2.26 -1.840910302e+00 -1.840910302e+00 2.28 -2.034109664e+00 -2.034109664e+00 2.30 -2.209429325e+00 -2.209429325e+00 2.32 -2.368234099e+00 -2.368234099e+00 2.34 -2.511777690e+00 -2.511777690e+00 2.36 -2.641188019e+00 -2.641188019e+00 2.38 -2.757451912e+00 -2.757451912e+00 2.40 -2.861413110e+00 -2.861413110e+00 2.42 -2.953791033e+00 -2.953791033e+00 2.44 -3.035216676e+00 -3.035216676e+00 2.46 -3.106274931e+00 -3.106274931e+00 2.48 -3.167542225e+00 -3.167542225e+00 2.50 -3.219612960e+00 -3.219612960e+00 2.52 -3.263114352e+00 -3.263114352e+00 2.54 -3.299281448e+00 -3.299281448e+00 2.56 -3.329450899e+00 -3.329450899e+00 2.58 -3.353718434e+00 -3.353718434e+00 2.60 -3.372150616e+00 -3.372150616e+00 2.62 -3.384939752e+00 -3.384939752e+00 2.64 -3.392370539e+00 -3.392370539e+00 2.66 -3.394784700e+00 -3.394784700e+00 2.68 -3.392548413e+00 -3.392548413e+00 2.70 -3.386034597e+00 -3.386034597e+00 2.72 -3.375686643e+00 -3.375686643e+00 2.74 -3.361948704e+00 -3.361948704e+00 2.76 -3.345076925e+00 -3.345076925e+00 2.78 -3.325273338e+00 -3.325273338e+00 2.80 -3.302692750e+00 -3.302692750e+00 2.82 -3.277445920e+00 -3.277445920e+00 2.84 -3.249607938e+00 -3.249607938e+00 2.86 -3.219230408e+00 -3.219230408e+00 2.88 -3.186355266e+00 -3.186355266e+00 2.90 -3.151028655e+00 -3.151028655e+00 2.92 -3.113316657e+00 -3.113316657e+00 2.94 -3.073312450e+00 -3.073312450e+00 2.96 -3.031141338e+00 -3.031141338e+00 2.98 -2.986966966e+00 -2.986966966e+00 3.00 -2.940995116e+00 -2.940995116e+00 3.02 -2.893473882e+00 -2.893473882e+00 3.04 -2.844688797e+00 -2.844688797e+00 3.06 -2.794952012e+00 -2.794952012e+00 3.08 -2.744585747e+00 -2.744585747e+00 3.10 -2.693902204e+00 -2.693902204e+00 3.12 -2.643183286e+00 -2.643183286e+00 3.14 -2.592663998e+00 -2.592663998e+00 3.16 -2.542522267e+00 -2.542522267e+00 3.18 -2.492876378e+00 -2.492876378e+00 3.20 -2.443789129e+00 -2.443789129e+00 3.22 -2.395276751e+00 -2.395276751e+00 3.24 -2.347320247e+00 -2.347320247e+00 3.26 -2.299877144e+00 -2.299877144e+00 3.28 -2.252892308e+00 -2.252892308e+00 3.30 -2.206307082e+00 -2.206307082e+00 3.32 -2.160066487e+00 -2.160066487e+00 3.34 -2.114124460e+00 -2.114124460e+00 3.36 -2.068447247e+00 -2.068447247e+00 3.38 -2.023015123e+00 -2.023015123e+00 3.40 -1.977822634e+00 -1.977822634e+00 3.42 -1.932877644e+00 -1.932877644e+00 3.44 -1.888199420e+00 -1.888199420e+00 3.46 -1.843816133e+00 -1.843816133e+00 3.48 -1.799762035e+00 -1.799762035e+00 3.50 -1.756074634e+00 -1.756074634e+00 3.52 -1.712792074e+00 -1.712792074e+00 3.54 -1.669950915e+00 -1.669950915e+00 3.56 -1.627584415e+00 -1.627584415e+00 3.58 -1.585721370e+00 -1.585721370e+00 3.60 -1.544385525e+00 -1.544385525e+00 3.62 -1.503595547e+00 -1.503595547e+00 3.64 -1.463365510e+00 -1.463365510e+00 3.66 -1.423705834e+00 -1.423705834e+00 3.68 -1.384624616e+00 -1.384624616e+00 3.70 -1.346129221e+00 -1.346129221e+00 3.72 -1.308228010e+00 -1.308228010e+00 3.74 -1.270932002e+00 -1.270932002e+00 3.76 -1.234256240e+00 -1.234256240e+00 3.78 -1.198220611e+00 -1.198220611e+00 3.80 -1.162849895e+00 -1.162849895e+00 3.82 -1.128172877e+00 -1.128172877e+00 3.84 -1.094220508e+00 -1.094220508e+00 3.86 -1.061023266e+00 -1.061023266e+00 3.88 -1.028608032e+00 -1.028608032e+00 3.90 -9.969949350e-01 -9.969949350e-01 3.92 -9.661946116e-01 -9.661946116e-01 3.94 -9.362063089e-01 -9.362063089e-01 3.96 -9.070169895e-01 -9.070169895e-01 3.98 -8.786015530e-01 -8.786015530e-01 4.00 -8.509239733e-01 -8.509239733e-01 4.02 -8.239391279e-01 -8.239391279e-01 4.04 -7.975950314e-01 -7.975950314e-01 4.06 -7.718352254e-01 -7.718352254e-01 4.08 -7.466011450e-01 -7.466011450e-01 4.10 -7.218343550e-01 -7.218343550e-01 4.12 -6.974786852e-01 -6.974786852e-01 4.14 -6.734821259e-01 -6.734821259e-01 4.16 -6.497987185e-01 -6.497987185e-01 4.18 -6.263902944e-01 -6.263902944e-01 4.20 -6.032281108e-01 -6.032281108e-01 4.22 -5.802943152e-01 -5.802943152e-01 4.24 -5.575831394e-01 -5.575831394e-01 4.26 -5.351016987e-01 -5.351016987e-01 4.28 -5.128702617e-01 -5.128702617e-01 4.30 -4.909218778e-01 -4.909218778e-01 4.32 -4.693012918e-01 -4.693012918e-01 4.34 -4.480631387e-01 -4.480631387e-01 4.36 -4.272694843e-01 -4.272694843e-01 4.38 -4.069868392e-01 -4.069868392e-01 4.40 -3.872828271e-01 -3.872828271e-01 4.42 -3.682227158e-01 -3.682227158e-01 4.44 -3.498660313e-01 -3.498660313e-01 4.46 -3.322634723e-01 -3.322634723e-01 4.48 -3.154543232e-01 -3.154543232e-01 4.50 -2.994645344e-01 -2.994645344e-01 4.52 -2.843055899e-01 -2.843055899e-01 4.54 -2.699742183e-01 -2.699742183e-01 4.56 -2.564529300e-01 -2.564529300e-01 4.58 -2.437112857e-01 -2.437112857e-01 4.60 -2.317077467e-01 -2.317077467e-01 4.62 -2.203919163e-01 -2.203919163e-01 4.64 -2.097069593e-01 -2.097069593e-01 4.66 -1.995920318e-01 -1.995920318e-01 4.68 -1.899845904e-01 -1.899845904e-01 4.70 -1.808224801e-01 -1.808224801e-01 4.72 -1.720457283e-01 -1.720457283e-01 4.74 -1.635978044e-01 -1.635978044e-01 4.76 -1.554274665e-01 -1.554274665e-01 4.78 -1.474894051e-01 -1.474894051e-01 4.80 -1.397454631e-01 -1.397454631e-01 4.82 -1.321647492e-01 -1.321647492e-01 4.84 -1.247240836e-01 -1.247240836e-01 4.86 -1.174083319e-01 -1.174083319e-01 4.88 -1.102104567e-01 -1.102104567e-01 4.90 -1.031313078e-01 -1.031313078e-01 4.92 -9.617911838e-02 -9.617911838e-02 4.94 -8.936869296e-02 -8.936869296e-02 4.96 -8.272028954e-02 -8.272028954e-02 4.98 -7.625823034e-02 -7.625823034e-02 5.00 -7.000930589e-02 -7.000930589e-02 5.02 -6.400106810e-02 -6.400106810e-02 5.04 -5.826012879e-02 -5.826012879e-02 5.06 -5.281058668e-02 -5.281058668e-02 5.08 -4.767269619e-02 -4.767269619e-02 5.10 -4.286186564e-02 -4.286186564e-02 5.12 -3.838803614e-02 -3.838803614e-02 5.14 -3.425545140e-02 -3.425545140e-02 5.16 -3.046278989e-02 -3.046278989e-02 5.18 -2.700360032e-02 -2.700360032e-02 5.20 -2.386696271e-02 -2.386696271e-02 5.22 -2.103829009e-02 -2.103829009e-02 5.24 -1.850018875e-02 -1.850018875e-02 5.26 -1.623331295e-02 -1.623331295e-02 5.28 -1.421715729e-02 -1.421715729e-02 5.30 -1.243074073e-02 -1.243074073e-02 5.32 -1.085291680e-02 -1.085291680e-02 5.34 -9.463514190e-03 -9.463514190e-03 5.36 -8.243377694e-03 -8.243377694e-03 5.38 -7.174419467e-03 -7.174419467e-03 5.40 -6.239807339e-03 -6.239807339e-03 5.42 -5.424065876e-03 -5.424065876e-03 5.44 -4.713109814e-03 -4.713109814e-03 5.46 -4.094227271e-03 -4.094227271e-03 5.48 -3.556027409e-03 -3.556027409e-03 5.50 -3.088364526e-03 -3.088364526e-03 5.52 -2.682247949e-03 -2.682247949e-03 5.54 -2.329744880e-03 -2.329744880e-03 5.56 -2.023881445e-03 -2.023881445e-03 5.58 -1.758545661e-03 -1.758545661e-03 5.60 -1.528394798e-03 -1.528394798e-03 5.62 -1.328768714e-03 -1.328768714e-03 5.64 -1.155610017e-03 -1.155610017e-03 5.66 -1.005391396e-03 -1.005391396e-03 5.68 -8.750501432e-04 -8.750501432e-04 5.70 -7.619295989e-04 -7.619295989e-04 5.72 -6.637271417e-04 -6.637271417e-04 5.74 -5.784482322e-04 -5.784482322e-04 5.76 -5.043659866e-04 -5.043659866e-04 5.78 -4.399857458e-04 -4.399857458e-04 5.80 -3.840141173e-04 -3.840141173e-04 5.82 -3.353319937e-04 -3.353319937e-04 5.84 -2.929710871e-04 -2.929710871e-04 5.86 -2.560935554e-04 -2.560935554e-04 5.88 -2.239743392e-04 -2.239743392e-04 5.90 -1.959858660e-04 -1.959858660e-04 5.92 -1.715848167e-04 -1.715848167e-04 5.94 -1.503006847e-04 -1.503006847e-04 5.96 -1.317258902e-04 -1.317258902e-04 5.98 -1.155072422e-04 -1.155072422e-04 6.00 -1.013385659e-04 -1.013385659e-04