# 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 = AgTa2Zr # 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 3.949875365e+02 3.949875365e+02 1.30 3.670313223e+02 3.670313223e+02 1.32 3.411125311e+02 3.411125311e+02 1.34 3.170685700e+02 3.170685700e+02 1.36 2.947510011e+02 2.947510011e+02 1.38 2.740246802e+02 2.740246802e+02 1.40 2.547667466e+02 2.547667466e+02 1.42 2.368654615e+02 2.368654615e+02 1.44 2.202188292e+02 2.202188292e+02 1.46 2.047330943e+02 2.047330943e+02 1.48 1.903214009e+02 1.903214009e+02 1.50 1.769028087e+02 1.769028087e+02 1.52 1.644017411e+02 1.644017411e+02 1.54 1.527478522e+02 1.527478522e+02 1.56 1.418763373e+02 1.418763373e+02 1.58 1.317283826e+02 1.317283826e+02 1.60 1.222513070e+02 1.222513070e+02 1.62 1.133981312e+02 1.133981312e+02 1.64 1.051267653e+02 1.051267653e+02 1.66 9.739909206e+01 9.739909206e+01 1.68 9.018019037e+01 9.018019037e+01 1.70 8.343776875e+01 8.343776875e+01 1.72 7.714170595e+01 7.714170595e+01 1.74 7.126367446e+01 7.126367446e+01 1.76 6.577684365e+01 6.577684365e+01 1.78 6.065570805e+01 6.065570805e+01 1.80 5.587602442e+01 5.587602442e+01 1.82 5.141483124e+01 5.141483124e+01 1.84 4.725049157e+01 4.725049157e+01 1.86 4.336277923e+01 4.336277923e+01 1.88 3.973291612e+01 3.973291612e+01 1.90 3.634354321e+01 3.634354321e+01 1.92 3.317860197e+01 3.317860197e+01 1.94 3.022314802e+01 3.022314802e+01 1.96 2.746630169e+01 2.746630169e+01 1.98 2.490077007e+01 2.490077007e+01 2.00 2.251357335e+01 2.251357335e+01 2.02 2.029276145e+01 2.029276145e+01 2.04 1.822735230e+01 1.822735230e+01 2.06 1.630629536e+01 1.630629536e+01 2.08 1.451944030e+01 1.451944030e+01 2.10 1.285754348e+01 1.285754348e+01 2.12 1.131220934e+01 1.131220934e+01 2.14 9.875798829e+00 9.875798829e+00 2.16 8.541332313e+00 8.541332313e+00 2.18 7.302391521e+00 7.302391521e+00 2.20 6.153037036e+00 6.153037036e+00 2.22 5.087722435e+00 5.087722435e+00 2.24 4.101225242e+00 4.101225242e+00 2.26 3.188593085e+00 3.188593085e+00 2.28 2.345097528e+00 2.345097528e+00 2.30 1.566215527e+00 1.566215527e+00 2.32 8.475940216e-01 8.475940216e-01 2.34 1.850515704e-01 1.850515704e-01 2.36 -4.254258852e-01 -4.254258852e-01 2.38 -9.876631374e-01 -9.876631374e-01 2.40 -1.505265909e+00 -1.505265909e+00 2.42 -1.981595422e+00 -1.981595422e+00 2.44 -2.419746756e+00 -2.419746756e+00 2.46 -2.822549186e+00 -2.822549186e+00 2.48 -3.192575787e+00 -3.192575787e+00 2.50 -3.532162749e+00 -3.532162749e+00 2.52 -3.843432904e+00 -3.843432904e+00 2.54 -4.128319785e+00 -4.128319785e+00 2.56 -4.388590171e+00 -4.388590171e+00 2.58 -4.625864612e+00 -4.625864612e+00 2.60 -4.841636133e+00 -4.841636133e+00 2.62 -5.037284919e+00 -5.037284919e+00 2.64 -5.214098732e+00 -5.214098732e+00 2.66 -5.373269583e+00 -5.373269583e+00 2.68 -5.515907582e+00 -5.515907582e+00 2.70 -5.643027169e+00 -5.643027169e+00 2.72 -5.755424476e+00 -5.755424476e+00 2.74 -5.854057750e+00 -5.854057750e+00 2.76 -5.939869897e+00 -5.939869897e+00 2.78 -6.013714977e+00 -6.013714977e+00 2.80 -6.076391166e+00 -6.076391166e+00 2.82 -6.128641683e+00 -6.128641683e+00 2.84 -6.171064806e+00 -6.171064806e+00 2.86 -6.204214523e+00 -6.204214523e+00 2.88 -6.228611618e+00 -6.228611618e+00 2.90 -6.244591502e+00 -6.244591502e+00 2.92 -6.252294659e+00 -6.252294659e+00 2.94 -6.251896866e+00 -6.251896866e+00 2.96 -6.243617041e+00 -6.243617041e+00 2.98 -6.227694727e+00 -6.227694727e+00 3.00 -6.204307116e+00 -6.204307116e+00 3.02 -6.173629523e+00 -6.173629523e+00 3.04 -6.135864868e+00 -6.135864868e+00 3.06 -6.091238899e+00 -6.091238899e+00 3.08 -6.039981145e+00 -6.039981145e+00 3.10 -5.982326342e+00 -5.982326342e+00 3.12 -5.918507657e+00 -5.918507657e+00 3.14 -5.848768982e+00 -5.848768982e+00 3.16 -5.773353366e+00 -5.773353366e+00 3.18 -5.692524011e+00 -5.692524011e+00 3.20 -5.606572452e+00 -5.606572452e+00 3.22 -5.515831270e+00 -5.515831270e+00 3.24 -5.420686133e+00 -5.420686133e+00 3.26 -5.321584661e+00 -5.321584661e+00 3.28 -5.219039283e+00 -5.219039283e+00 3.30 -5.113621548e+00 -5.113621548e+00 3.32 -5.005946671e+00 -5.005946671e+00 3.34 -4.896654684e+00 -4.896654684e+00 3.36 -4.786452130e+00 -4.786452130e+00 3.38 -4.675882054e+00 -4.675882054e+00 3.40 -4.565379864e+00 -4.565379864e+00 3.42 -4.455306061e+00 -4.455306061e+00 3.44 -4.345928685e+00 -4.345928685e+00 3.46 -4.237423536e+00 -4.237423536e+00 3.48 -4.129877680e+00 -4.129877680e+00 3.50 -4.023299362e+00 -4.023299362e+00 3.52 -3.917632525e+00 -3.917632525e+00 3.54 -3.812777871e+00 -3.812777871e+00 3.56 -3.708602614e+00 -3.708602614e+00 3.58 -3.604952216e+00 -3.604952216e+00 3.60 -3.501664647e+00 -3.501664647e+00 3.62 -3.398583823e+00 -3.398583823e+00 3.64 -3.295572253e+00 -3.295572253e+00 3.66 -3.192522915e+00 -3.192522915e+00 3.68 -3.089370256e+00 -3.089370256e+00 3.70 -2.986100062e+00 -2.986100062e+00 3.72 -2.882757747e+00 -2.882757747e+00 3.74 -2.779454430e+00 -2.779454430e+00 3.76 -2.676370075e+00 -2.676370075e+00 3.78 -2.573752932e+00 -2.573752932e+00 3.80 -2.471914685e+00 -2.471914685e+00 3.82 -2.371220949e+00 -2.371220949e+00 3.84 -2.272077234e+00 -2.272077234e+00 3.86 -2.174911020e+00 -2.174911020e+00 3.88 -2.080151151e+00 -2.080151151e+00 3.90 -1.988206299e+00 -1.988206299e+00 3.92 -1.899443181e+00 -1.899443181e+00 3.94 -1.814174728e+00 -1.814174728e+00 3.96 -1.732638760e+00 -1.732638760e+00 3.98 -1.654997179e+00 -1.654997179e+00 4.00 -1.581333259e+00 -1.581333259e+00 4.02 -1.511655782e+00 -1.511655782e+00 4.04 -1.445907221e+00 -1.445907221e+00 4.06 -1.383974547e+00 -1.383974547e+00 4.08 -1.325701263e+00 -1.325701263e+00 4.10 -1.270894011e+00 -1.270894011e+00 4.12 -1.219356705e+00 -1.219356705e+00 4.14 -1.170864247e+00 -1.170864247e+00 4.16 -1.125196184e+00 -1.125196184e+00 4.18 -1.082136435e+00 -1.082136435e+00 4.20 -1.041478154e+00 -1.041478154e+00 4.22 -1.003027132e+00 -1.003027132e+00 4.24 -9.666039322e-01 -9.666039322e-01 4.26 -9.320449515e-01 -9.320449515e-01 4.28 -8.992026071e-01 -8.992026071e-01 4.30 -8.679448219e-01 -8.679448219e-01 4.32 -8.381539803e-01 -8.381539803e-01 4.34 -8.097255123e-01 -8.097255123e-01 4.36 -7.825662602e-01 -7.825662602e-01 4.38 -7.565927747e-01 -7.565927747e-01 4.40 -7.317296692e-01 -7.317296692e-01 4.42 -7.079081356e-01 -7.079081356e-01 4.44 -6.850646959e-01 -6.850646959e-01 4.46 -6.631402215e-01 -6.631402215e-01 4.48 -6.420792179e-01 -6.420792179e-01 4.50 -6.218293476e-01 -6.218293476e-01 4.52 -6.023411411e-01 -6.023411411e-01 4.54 -5.835678359e-01 -5.835678359e-01 4.56 -5.654650736e-01 -5.654650736e-01 4.58 -5.479914170e-01 -5.479914170e-01 4.60 -5.311080973e-01 -5.311080973e-01 4.62 -5.147787924e-01 -5.147787924e-01 4.64 -4.989696189e-01 -4.989696189e-01 4.66 -4.836490953e-01 -4.836490953e-01 4.68 -4.687880854e-01 -4.687880854e-01 4.70 -4.543597361e-01 -4.543597361e-01 4.72 -4.403394197e-01 -4.403394197e-01 4.74 -4.267046893e-01 -4.267046893e-01 4.76 -4.134352531e-01 -4.134352531e-01 4.78 -4.005129690e-01 -4.005129690e-01 4.80 -3.879186787e-01 -3.879186787e-01 4.82 -3.756454869e-01 -3.756454869e-01 4.84 -3.636779963e-01 -3.636779963e-01 4.86 -3.520068621e-01 -3.520068621e-01 4.88 -3.406249377e-01 -3.406249377e-01 4.90 -3.295272056e-01 -3.295272056e-01 4.92 -3.187106425e-01 -3.187106425e-01 4.94 -3.081740063e-01 -3.081740063e-01 4.96 -2.979175379e-01 -2.979175379e-01 4.98 -2.879425820e-01 -2.879425820e-01 5.00 -2.782511407e-01 -2.782511407e-01 5.02 -2.688453841e-01 -2.688453841e-01 5.04 -2.597271508e-01 -2.597271508e-01 5.06 -2.508974749e-01 -2.508974749e-01 5.08 -2.423561775e-01 -2.423561775e-01 5.10 -2.341015530e-01 -2.341015530e-01 5.12 -2.261301738e-01 -2.261301738e-01 5.14 -2.184368209e-01 -2.184368209e-01 5.16 -2.110145415e-01 -2.110145415e-01 5.18 -2.038548159e-01 -2.038548159e-01 5.20 -1.969478167e-01 -1.969478167e-01 5.22 -1.902827317e-01 -1.902827317e-01 5.24 -1.838481253e-01 -1.838481253e-01 5.26 -1.776323148e-01 -1.776323148e-01 5.28 -1.716237374e-01 -1.716237374e-01 5.30 -1.658112939e-01 -1.658112939e-01 5.32 -1.601846511e-01 -1.601846511e-01 5.34 -1.547344949e-01 -1.547344949e-01 5.36 -1.494527212e-01 -1.494527212e-01 5.38 -1.443325590e-01 -1.443325590e-01 5.40 -1.393686170e-01 -1.393686170e-01 5.42 -1.345568518e-01 -1.345568518e-01 5.44 -1.298944553e-01 -1.298944553e-01 5.46 -1.253796691e-01 -1.253796691e-01 5.48 -1.210115340e-01 -1.210115340e-01 5.50 -1.167895951e-01 -1.167895951e-01 5.52 -1.127135861e-01 -1.127135861e-01 5.54 -1.087831162e-01 -1.087831162e-01 5.56 -1.049973885e-01 -1.049973885e-01 5.58 -1.013549705e-01 -1.013549705e-01 5.60 -9.785350717e-02 -9.785350717e-02 5.62 -9.448982185e-02 -9.448982185e-02 5.64 -9.126002800e-02 -9.126002800e-02 5.66 -8.815935289e-02 -8.815935289e-02 5.68 -8.518224711e-02 -8.518224711e-02 5.70 -8.232252749e-02 -8.232252749e-02 5.72 -7.957353519e-02 -7.957353519e-02 5.74 -7.692829379e-02 -7.692829379e-02 5.76 -7.437965591e-02 -7.437965591e-02 5.78 -7.192043094e-02 -7.192043094e-02 5.80 -6.954349024e-02 -6.954349024e-02 5.82 -6.724184903e-02 -6.724184903e-02 5.84 -6.500872690e-02 -6.500872690e-02 5.86 -6.283758997e-02 -6.283758997e-02 5.88 -6.072217880e-02 -6.072217880e-02 5.90 -5.865652643e-02 -5.865652643e-02 5.92 -5.663497058e-02 -5.663497058e-02 5.94 -5.465216426e-02 -5.465216426e-02 5.96 -5.270308803e-02 -5.270308803e-02 5.98 -5.078306703e-02 -5.078306703e-02 6.00 -4.888779356e-02 -4.888779356e-02