# 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 = Ag2TaZr # 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 3.633141987e+02 3.633141987e+02 1.30 3.374635984e+02 3.374635984e+02 1.32 3.135055505e+02 3.135055505e+02 1.34 2.912888103e+02 2.912888103e+02 1.36 2.706751270e+02 2.706751270e+02 1.38 2.515388091e+02 2.515388091e+02 1.40 2.337657535e+02 2.337657535e+02 1.42 2.172520768e+02 2.172520768e+02 1.44 2.019025994e+02 2.019025994e+02 1.46 1.876296041e+02 1.876296041e+02 1.48 1.743520834e+02 1.743520834e+02 1.50 1.619952548e+02 1.619952548e+02 1.52 1.504900661e+02 1.504900661e+02 1.54 1.397727081e+02 1.397727081e+02 1.56 1.297843582e+02 1.297843582e+02 1.58 1.204712126e+02 1.204712126e+02 1.60 1.117844731e+02 1.117844731e+02 1.62 1.036799919e+02 1.036799919e+02 1.64 9.611762379e+01 9.611762379e+01 1.66 8.906051210e+01 8.906051210e+01 1.68 8.247451823e+01 8.247451823e+01 1.70 7.632787198e+01 7.632787198e+01 1.72 7.059094849e+01 7.059094849e+01 1.74 6.523610234e+01 6.523610234e+01 1.76 6.023751054e+01 6.023751054e+01 1.78 5.557106030e+01 5.557106030e+01 1.80 5.121426684e+01 5.121426684e+01 1.82 4.714622061e+01 4.714622061e+01 1.84 4.334748338e+01 4.334748338e+01 1.86 3.980239695e+01 3.980239695e+01 1.88 3.649707316e+01 3.649707316e+01 1.90 3.341566789e+01 3.341566789e+01 1.92 3.054354568e+01 3.054354568e+01 1.94 2.786890103e+01 2.786890103e+01 1.96 2.537987785e+01 2.537987785e+01 1.98 2.306431872e+01 2.306431872e+01 2.00 2.091070939e+01 2.091070939e+01 2.02 1.890813298e+01 1.890813298e+01 2.04 1.704626902e+01 1.704626902e+01 2.06 1.531541788e+01 1.531541788e+01 2.08 1.370652452e+01 1.370652452e+01 2.10 1.221118582e+01 1.221118582e+01 2.12 1.082164045e+01 1.082164045e+01 2.14 9.530739327e+00 9.530739327e+00 2.16 8.331913017e+00 8.331913017e+00 2.18 7.219121820e+00 7.219121820e+00 2.20 6.186802138e+00 6.186802138e+00 2.22 5.229794788e+00 5.229794788e+00 2.24 4.343284120e+00 4.343284120e+00 2.26 3.522751141e+00 3.522751141e+00 2.28 2.763934251e+00 2.763934251e+00 2.30 2.062815595e+00 2.062815595e+00 2.32 1.415583408e+00 1.415583408e+00 2.34 8.186279344e-01 8.186279344e-01 2.36 2.685177432e-01 2.685177432e-01 2.38 -2.380016308e-01 -2.380016308e-01 2.40 -7.040042679e-01 -7.040042679e-01 2.42 -1.132382322e+00 -1.132382322e+00 2.44 -1.525840220e+00 -1.525840220e+00 2.46 -1.886900687e+00 -1.886900687e+00 2.48 -2.217908681e+00 -2.217908681e+00 2.50 -2.521036701e+00 -2.521036701e+00 2.52 -2.798290799e+00 -2.798290799e+00 2.54 -3.051509742e+00 -3.051509742e+00 2.56 -3.282297134e+00 -3.282297134e+00 2.58 -3.492291898e+00 -3.492291898e+00 2.60 -3.683047536e+00 -3.683047536e+00 2.62 -3.856014419e+00 -3.856014419e+00 2.64 -4.012554957e+00 -4.012554957e+00 2.66 -4.153804466e+00 -4.153804466e+00 2.68 -4.280805008e+00 -4.280805008e+00 2.70 -4.394509907e+00 -4.394509907e+00 2.72 -4.495694873e+00 -4.495694873e+00 2.74 -4.584956775e+00 -4.584956775e+00 2.76 -4.662865227e+00 -4.662865227e+00 2.78 -4.729944272e+00 -4.729944272e+00 2.80 -4.786577053e+00 -4.786577053e+00 2.82 -4.833113183e+00 -4.833113183e+00 2.84 -4.869921367e+00 -4.869921367e+00 2.86 -4.897382513e+00 -4.897382513e+00 2.88 -4.915886909e+00 -4.915886909e+00 2.90 -4.925832856e+00 -4.925832856e+00 2.92 -4.927625905e+00 -4.927625905e+00 2.94 -4.921678089e+00 -4.921678089e+00 2.96 -4.908406679e+00 -4.908406679e+00 2.98 -4.888232297e+00 -4.888232297e+00 3.00 -4.861576316e+00 -4.861576316e+00 3.02 -4.828857650e+00 -4.828857650e+00 3.04 -4.790486177e+00 -4.790486177e+00 3.06 -4.746871425e+00 -4.746871425e+00 3.08 -4.698399339e+00 -4.698399339e+00 3.10 -4.645444033e+00 -4.645444033e+00 3.12 -4.588361417e+00 -4.588361417e+00 3.14 -4.527497156e+00 -4.527497156e+00 3.16 -4.463178498e+00 -4.463178498e+00 3.18 -4.395726735e+00 -4.395726735e+00 3.20 -4.325460640e+00 -4.325460640e+00 3.22 -4.252702536e+00 -4.252702536e+00 3.24 -4.177784137e+00 -4.177784137e+00 3.26 -4.101088293e+00 -4.101088293e+00 3.28 -4.023117893e+00 -4.023117893e+00 3.30 -3.944132088e+00 -3.944132088e+00 3.32 -3.864386361e+00 -3.864386361e+00 3.34 -3.784158027e+00 -3.784158027e+00 3.36 -3.703729460e+00 -3.703729460e+00 3.38 -3.623370884e+00 -3.623370884e+00 3.40 -3.543323949e+00 -3.543323949e+00 3.42 -3.463794514e+00 -3.463794514e+00 3.44 -3.384938825e+00 -3.384938825e+00 3.46 -3.306872931e+00 -3.306872931e+00 3.48 -3.229672224e+00 -3.229672224e+00 3.50 -3.153367596e+00 -3.153367596e+00 3.52 -3.077951743e+00 -3.077951743e+00 3.54 -3.003386746e+00 -3.003386746e+00 3.56 -2.929611846e+00 -2.929611846e+00 3.58 -2.856551007e+00 -2.856551007e+00 3.60 -2.784120065e+00 -2.784120065e+00 3.62 -2.712233402e+00 -2.712233402e+00 3.64 -2.640810180e+00 -2.640810180e+00 3.66 -2.569780192e+00 -2.569780192e+00 3.68 -2.499089353e+00 -2.499089353e+00 3.70 -2.428704777e+00 -2.428704777e+00 3.72 -2.358619310e+00 -2.358619310e+00 3.74 -2.288855270e+00 -2.288855270e+00 3.76 -2.219467028e+00 -2.219467028e+00 3.78 -2.150542071e+00 -2.150542071e+00 3.80 -2.082200100e+00 -2.082200100e+00 3.82 -2.014589870e+00 -2.014589870e+00 3.84 -1.947883615e+00 -1.947883615e+00 3.86 -1.882269190e+00 -1.882269190e+00 3.88 -1.817940409e+00 -1.817940409e+00 3.90 -1.755086417e+00 -1.755086417e+00 3.92 -1.693879287e+00 -1.693879287e+00 3.94 -1.634472739e+00 -1.634472739e+00 3.96 -1.576982653e+00 -1.576982653e+00 3.98 -1.521491903e+00 -1.521491903e+00 4.00 -1.468047012e+00 -1.468047012e+00 4.02 -1.416659881e+00 -1.416659881e+00 4.04 -1.367311612e+00 -1.367311612e+00 4.06 -1.319957626e+00 -1.319957626e+00 4.08 -1.274533356e+00 -1.274533356e+00 4.10 -1.230955966e+00 -1.230955966e+00 4.12 -1.189146170e+00 -1.189146170e+00 4.14 -1.149006677e+00 -1.149006677e+00 4.16 -1.110444399e+00 -1.110444399e+00 4.18 -1.073368623e+00 -1.073368623e+00 4.20 -1.037693324e+00 -1.037693324e+00 4.22 -1.003338825e+00 -1.003338825e+00 4.24 -9.702328294e-01 -9.702328294e-01 4.26 -9.383109048e-01 -9.383109048e-01 4.28 -9.075164562e-01 -9.075164562e-01 4.30 -8.778002424e-01 -8.778002424e-01 4.32 -8.491195073e-01 -8.491195073e-01 4.34 -8.214368142e-01 -8.214368142e-01 4.36 -7.947186956e-01 -7.947186956e-01 4.38 -7.689342501e-01 -7.689342501e-01 4.40 -7.440538171e-01 -7.440538171e-01 4.42 -7.200478462e-01 -7.200478462e-01 4.44 -6.968860457e-01 -6.968860457e-01 4.46 -6.745368513e-01 -6.745368513e-01 4.48 -6.529672120e-01 -6.529672120e-01 4.50 -6.321426499e-01 -6.321426499e-01 4.52 -6.120275301e-01 -6.120275301e-01 4.54 -5.925854625e-01 -5.925854625e-01 4.56 -5.737797661e-01 -5.737797661e-01 4.58 -5.555739368e-01 -5.555739368e-01 4.60 -5.379320796e-01 -5.379320796e-01 4.62 -5.208192839e-01 -5.208192839e-01 4.64 -5.042019372e-01 -5.042019372e-01 4.66 -4.880479822e-01 -4.880479822e-01 4.68 -4.723271330e-01 -4.723271330e-01 4.70 -4.570110641e-01 -4.570110641e-01 4.72 -4.420735916e-01 -4.420735916e-01 4.74 -4.274908564e-01 -4.274908564e-01 4.76 -4.132415216e-01 -4.132415216e-01 4.78 -3.993069833e-01 -3.993069833e-01 4.80 -3.856684610e-01 -3.856684610e-01 4.82 -3.723202748e-01 -3.723202748e-01 4.84 -3.592495663e-01 -3.592495663e-01 4.86 -3.464507690e-01 -3.464507690e-01 4.88 -3.339219023e-01 -3.339219023e-01 4.90 -3.216645262e-01 -3.216645262e-01 4.92 -3.096835517e-01 -3.096835517e-01 4.94 -2.979868842e-01 -2.979868842e-01 4.96 -2.865848881e-01 -2.865848881e-01 4.98 -2.754896845e-01 -2.754896845e-01 5.00 -2.647143074e-01 -2.647143074e-01 5.02 -2.542717701e-01 -2.542717701e-01 5.04 -2.441741073e-01 -2.441741073e-01 5.06 -2.344314652e-01 -2.344314652e-01 5.08 -2.250513148e-01 -2.250513148e-01 5.10 -2.160378492e-01 -2.160378492e-01 5.12 -2.073916083e-01 -2.073916083e-01 5.14 -1.991093499e-01 -1.991093499e-01 5.16 -1.911841615e-01 -1.911841615e-01 5.18 -1.836057839e-01 -1.836057839e-01 5.20 -1.763610203e-01 -1.763610203e-01 5.22 -1.694343862e-01 -1.694343862e-01 5.24 -1.628091029e-01 -1.628091029e-01 5.26 -1.564674744e-01 -1.564674744e-01 5.28 -1.503915630e-01 -1.503915630e-01 5.30 -1.445638225e-01 -1.445638225e-01 5.32 -1.389676480e-01 -1.389676480e-01 5.34 -1.335878283e-01 -1.335878283e-01 5.36 -1.284108870e-01 -1.284108870e-01 5.38 -1.234253083e-01 -1.234253083e-01 5.40 -1.186216374e-01 -1.186216374e-01 5.42 -1.139924616e-01 -1.139924616e-01 5.44 -1.095322746e-01 -1.095322746e-01 5.46 -1.052372310e-01 -1.052372310e-01 5.48 -1.011048130e-01 -1.011048130e-01 5.50 -9.713343626e-02 -9.713343626e-02 5.52 -9.332201992e-02 -9.332201992e-02 5.54 -8.966956205e-02 -8.966956205e-02 5.56 -8.617475561e-02 -8.617475561e-02 5.58 -8.283567318e-02 -8.283567318e-02 5.60 -7.964951327e-02 -7.964951327e-02 5.62 -7.661236700e-02 -7.661236700e-02 5.64 -7.371955992e-02 -7.371955992e-02 5.66 -7.096547290e-02 -7.096547290e-02 5.68 -6.834361445e-02 -6.834361445e-02 5.70 -6.584679207e-02 -6.584679207e-02 5.72 -6.346730415e-02 -6.346730415e-02 5.74 -6.119713300e-02 -6.119713300e-02 5.76 -5.902812442e-02 -5.902812442e-02 5.78 -5.695214390e-02 -5.695214390e-02 5.80 -5.496120461e-02 -5.496120461e-02 5.82 -5.304756579e-02 -5.304756579e-02 5.84 -5.120380365e-02 -5.120380365e-02 5.86 -4.942285809e-02 -4.942285809e-02 5.88 -4.769806023e-02 -4.769806023e-02 5.90 -4.602314564e-02 -4.602314564e-02 5.92 -4.439225815e-02 -4.439225815e-02 5.94 -4.279994898e-02 -4.279994898e-02 5.96 -4.124117477e-02 -4.124117477e-02 5.98 -3.971129805e-02 -3.971129805e-02 6.00 -3.820609260e-02 -3.820609260e-02