# 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 = Al2CuNi # 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 8.542077061e+01 8.542077061e+01 1.30 7.895748082e+01 7.895748082e+01 1.32 7.296790065e+01 7.296790065e+01 1.34 6.741421327e+01 6.741421327e+01 1.36 6.226246562e+01 6.226246562e+01 1.38 5.748327257e+01 5.748327257e+01 1.40 5.305088824e+01 5.305088824e+01 1.42 4.894140576e+01 4.894140576e+01 1.44 4.513096015e+01 4.513096015e+01 1.46 4.159485296e+01 4.159485296e+01 1.48 3.830839918e+01 3.830839918e+01 1.50 3.524908809e+01 3.524908809e+01 1.52 3.239831032e+01 3.239831032e+01 1.54 2.974131830e+01 2.974131830e+01 1.56 2.726582577e+01 2.726582577e+01 1.58 2.496052132e+01 2.496052132e+01 1.60 2.281498800e+01 2.281498800e+01 1.62 2.082156883e+01 2.082156883e+01 1.64 1.896983594e+01 1.896983594e+01 1.66 1.724919353e+01 1.724919353e+01 1.68 1.564944604e+01 1.564944604e+01 1.70 1.416107570e+01 1.416107570e+01 1.72 1.277554250e+01 1.277554250e+01 1.74 1.148534441e+01 1.148534441e+01 1.76 1.028384885e+01 1.028384885e+01 1.78 9.165109291e+00 9.165109291e+00 1.80 8.123794113e+00 8.123794113e+00 1.82 7.155183176e+00 7.155183176e+00 1.84 6.255128634e+00 6.255128634e+00 1.86 5.419926240e+00 5.419926240e+00 1.88 4.646113734e+00 4.646113734e+00 1.90 3.930251513e+00 3.930251513e+00 1.92 3.268745142e+00 3.268745142e+00 1.94 2.657760133e+00 2.657760133e+00 1.96 2.093261022e+00 2.093261022e+00 1.98 1.571174588e+00 1.571174588e+00 2.00 1.087632889e+00 1.087632889e+00 2.02 6.392142537e-01 6.392142537e-01 2.04 2.230918545e-01 2.230918545e-01 2.06 -1.629627581e-01 -1.629627581e-01 2.08 -5.207040668e-01 -5.207040668e-01 2.10 -8.515942207e-01 -8.515942207e-01 2.12 -1.156967978e+00 -1.156967978e+00 2.14 -1.438141195e+00 -1.438141195e+00 2.16 -1.696459124e+00 -1.696459124e+00 2.18 -1.933299965e+00 -1.933299965e+00 2.20 -2.150052640e+00 -2.150052640e+00 2.22 -2.348084461e+00 -2.348084461e+00 2.24 -2.528709295e+00 -2.528709295e+00 2.26 -2.693162592e+00 -2.693162592e+00 2.28 -2.842586605e+00 -2.842586605e+00 2.30 -2.978025805e+00 -2.978025805e+00 2.32 -3.100428590e+00 -3.100428590e+00 2.34 -3.210647995e+00 -3.210647995e+00 2.36 -3.309437298e+00 -3.309437298e+00 2.38 -3.397443270e+00 -3.397443270e+00 2.40 -3.475206500e+00 -3.475206500e+00 2.42 -3.543177508e+00 -3.543177508e+00 2.44 -3.601748724e+00 -3.601748724e+00 2.46 -3.651295187e+00 -3.651295187e+00 2.48 -3.692217011e+00 -3.692217011e+00 2.50 -3.724970277e+00 -3.724970277e+00 2.52 -3.750085690e+00 -3.750085690e+00 2.54 -3.768176393e+00 -3.768176393e+00 2.56 -3.779936834e+00 -3.779936834e+00 2.58 -3.786230031e+00 -3.786230031e+00 2.60 -3.788752820e+00 -3.788752820e+00 2.62 -3.788472128e+00 -3.788472128e+00 2.64 -3.785300622e+00 -3.785300622e+00 2.66 -3.779259969e+00 -3.779259969e+00 2.68 -3.770425915e+00 -3.770425915e+00 2.70 -3.758888184e+00 -3.758888184e+00 2.72 -3.744728831e+00 -3.744728831e+00 2.74 -3.728018705e+00 -3.728018705e+00 2.76 -3.708830011e+00 -3.708830011e+00 2.78 -3.687223762e+00 -3.687223762e+00 2.80 -3.663250536e+00 -3.663250536e+00 2.82 -3.636931666e+00 -3.636931666e+00 2.84 -3.608262025e+00 -3.608262025e+00 2.86 -3.577218163e+00 -3.577218163e+00 2.88 -3.543769089e+00 -3.543769089e+00 2.90 -3.507888443e+00 -3.507888443e+00 2.92 -3.469566934e+00 -3.469566934e+00 2.94 -3.428824476e+00 -3.428824476e+00 2.96 -3.385721788e+00 -3.385721788e+00 2.98 -3.340370906e+00 -3.340370906e+00 3.00 -3.292943367e+00 -3.292943367e+00 3.02 -3.243673913e+00 -3.243673913e+00 3.04 -3.192857243e+00 -3.192857243e+00 3.06 -3.140836128e+00 -3.140836128e+00 3.08 -3.087980847e+00 -3.087980847e+00 3.10 -3.034662873e+00 -3.034662873e+00 3.12 -2.981227381e+00 -2.981227381e+00 3.14 -2.927970053e+00 -2.927970053e+00 3.16 -2.875122050e+00 -2.875122050e+00 3.18 -2.822844953e+00 -2.822844953e+00 3.20 -2.771234478e+00 -2.771234478e+00 3.22 -2.720330329e+00 -2.720330329e+00 3.24 -2.670129038e+00 -2.670129038e+00 3.26 -2.620597145e+00 -2.620597145e+00 3.28 -2.571682992e+00 -2.571682992e+00 3.30 -2.523326350e+00 -2.523326350e+00 3.32 -2.475465722e+00 -2.475465722e+00 3.34 -2.428043545e+00 -2.428043545e+00 3.36 -2.381009642e+00 -2.381009642e+00 3.38 -2.334323250e+00 -2.334323250e+00 3.40 -2.287953922e+00 -2.287953922e+00 3.42 -2.241881550e+00 -2.241881550e+00 3.44 -2.196095657e+00 -2.196095657e+00 3.46 -2.150594222e+00 -2.150594222e+00 3.48 -2.105382170e+00 -2.105382170e+00 3.50 -2.060469717e+00 -2.060469717e+00 3.52 -2.015870744e+00 -2.015870744e+00 3.54 -1.971601319e+00 -1.971601319e+00 3.56 -1.927678462e+00 -1.927678462e+00 3.58 -1.884119205e+00 -1.884119205e+00 3.60 -1.840939949e+00 -1.840939949e+00 3.62 -1.798156121e+00 -1.798156121e+00 3.64 -1.755782106e+00 -1.755782106e+00 3.66 -1.713831447e+00 -1.713831447e+00 3.68 -1.672317283e+00 -1.672317283e+00 3.70 -1.631253018e+00 -1.631253018e+00 3.72 -1.590653168e+00 -1.590653168e+00 3.74 -1.550534293e+00 -1.550534293e+00 3.76 -1.510915882e+00 -1.510915882e+00 3.78 -1.471821021e+00 -1.471821021e+00 3.80 -1.433276596e+00 -1.433276596e+00 3.82 -1.395312880e+00 -1.395312880e+00 3.84 -1.357962341e+00 -1.357962341e+00 3.86 -1.321257678e+00 -1.321257678e+00 3.88 -1.285229230e+00 -1.285229230e+00 3.90 -1.249902053e+00 -1.249902053e+00 3.92 -1.215293058e+00 -1.215293058e+00 3.94 -1.181408662e+00 -1.181408662e+00 3.96 -1.148243195e+00 -1.148243195e+00 3.98 -1.115778403e+00 -1.115778403e+00 4.00 -1.083983945e+00 -1.083983945e+00 4.02 -1.052818813e+00 -1.052818813e+00 4.04 -1.022233436e+00 -1.022233436e+00 4.06 -9.921722038e-01 -9.921722038e-01 4.08 -9.625762154e-01 -9.625762154e-01 4.10 -9.333860475e-01 -9.333860475e-01 4.12 -9.045445748e-01 -9.045445748e-01 4.14 -8.759995194e-01 -8.759995194e-01 4.16 -8.477060755e-01 -8.477060755e-01 4.18 -8.196292843e-01 -8.196292843e-01 4.20 -7.917462031e-01 -7.917462031e-01 4.22 -7.640477274e-01 -7.640477274e-01 4.24 -7.365399056e-01 -7.365399056e-01 4.26 -7.092445680e-01 -7.092445680e-01 4.28 -6.821991102e-01 -6.821991102e-01 4.30 -6.554553324e-01 -6.554553324e-01 4.32 -6.290773313e-01 -6.290773313e-01 4.34 -6.031385558e-01 -6.031385558e-01 4.36 -5.777182402e-01 -5.777182402e-01 4.38 -5.528975026e-01 -5.528975026e-01 4.40 -5.287554085e-01 -5.287554085e-01 4.42 -5.053652737e-01 -5.053652737e-01 4.44 -4.827914074e-01 -4.827914074e-01 4.46 -4.610864247e-01 -4.610864247e-01 4.48 -4.402891920e-01 -4.402891920e-01 4.50 -4.204234306e-01 -4.204234306e-01 4.52 -4.014969905e-01 -4.014969905e-01 4.54 -3.835017913e-01 -3.835017913e-01 4.56 -3.664144223e-01 -3.664144223e-01 4.58 -3.501973594e-01 -3.501973594e-01 4.60 -3.348007250e-01 -3.348007250e-01 4.62 -3.201644741e-01 -3.201644741e-01 4.64 -3.062208678e-01 -3.062208678e-01 4.66 -2.928970929e-01 -2.928970929e-01 4.68 -2.801178453e-01 -2.801178453e-01 4.70 -2.678077942e-01 -2.678077942e-01 4.72 -2.558938761e-01 -2.558938761e-01 4.74 -2.443073691e-01 -2.443073691e-01 4.76 -2.329856363e-01 -2.329856363e-01 4.78 -2.218732131e-01 -2.218732131e-01 4.80 -2.109246270e-01 -2.109246270e-01 4.82 -2.001045696e-01 -2.001045696e-01 4.84 -1.893884559e-01 -1.893884559e-01 4.86 -1.787631464e-01 -1.787631464e-01 4.88 -1.682272121e-01 -1.682272121e-01 4.90 -1.577907707e-01 -1.577907707e-01 4.92 -1.474748362e-01 -1.474748362e-01 4.94 -1.373101484e-01 -1.373101484e-01 4.96 -1.273354917e-01 -1.273354917e-01 4.98 -1.175955541e-01 -1.175955541e-01 5.00 -1.081384390e-01 -1.081384390e-01 5.02 -9.901298634e-02 -9.901298634e-02 5.04 -9.026609662e-02 -9.026609662e-02 5.06 -8.194025903e-02 -8.194025903e-02 5.08 -7.407146839e-02 -7.407146839e-02 5.10 -6.668767116e-02 -6.668767116e-02 5.12 -5.980782081e-02 -5.980782081e-02 5.14 -5.344155570e-02 -5.344155570e-02 5.16 -4.758945035e-02 -4.758945035e-02 5.18 -4.224374281e-02 -4.224374281e-02 5.20 -3.738941202e-02 -3.738941202e-02 5.22 -3.300546977e-02 -3.300546977e-02 5.24 -2.906633996e-02 -2.906633996e-02 5.26 -2.554321765e-02 -2.554321765e-02 5.28 -2.240532754e-02 -2.240532754e-02 5.30 -1.962102478e-02 -1.962102478e-02 5.32 -1.715871698e-02 -1.715871698e-02 5.34 -1.498759475e-02 -1.498759475e-02 5.36 -1.307817595e-02 -1.307817595e-02 5.38 -1.140238197e-02 -1.140238197e-02 5.40 -9.934463429e-03 -9.934463429e-03 5.42 -8.650930733e-03 -8.650930733e-03 5.44 -7.530295215e-03 -7.530295215e-03 5.46 -6.553085564e-03 -6.553085564e-03 5.48 -5.701797064e-03 -5.701797064e-03 5.50 -4.960795735e-03 -4.960795735e-03 5.52 -4.316194479e-03 -4.316194479e-03 5.54 -3.755714066e-03 -3.755714066e-03 5.56 -3.268538360e-03 -3.268538360e-03 5.58 -2.845170358e-03 -2.845170358e-03 5.60 -2.477293505e-03 -2.477293505e-03 5.62 -2.157641108e-03 -2.157641108e-03 5.64 -1.879875458e-03 -1.879875458e-03 5.66 -1.638477418e-03 -1.638477418e-03 5.68 -1.428646619e-03 -1.428646619e-03 5.70 -1.246211992e-03 -1.246211992e-03 5.72 -1.087552120e-03 -1.087552120e-03 5.74 -9.495247118e-04 -9.495247118e-04 5.76 -8.294044467e-04 -8.294044467e-04 5.78 -7.248283966e-04 -7.248283966e-04 5.80 -6.337482534e-04 -6.337482534e-04 5.82 -5.543886198e-04 -5.543886198e-04 5.84 -4.852106716e-04 -4.852106716e-04 5.86 -4.248805529e-04 -4.248805529e-04 5.88 -3.722419303e-04 -3.722419303e-04 5.90 -3.262921826e-04 -3.262921826e-04 5.92 -2.861617671e-04 -2.861617671e-04 5.94 -2.510963481e-04 -2.510963481e-04 5.96 -2.204413300e-04 -2.204413300e-04 5.98 -1.936284742e-04 -1.936284742e-04 6.00 -1.701643237e-04 -1.701643237e-04