# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = AlMg2Zn # 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 nan nan 1.12 1.826627221e+02 1.826627221e+02 1.14 1.705160884e+02 1.705160884e+02 1.16 1.592906169e+02 1.592906169e+02 1.18 1.489078247e+02 1.489078247e+02 1.20 1.392966739e+02 1.392966739e+02 1.22 1.303927757e+02 1.303927757e+02 1.24 1.221376305e+02 1.221376305e+02 1.26 1.144199173e+02 1.144199173e+02 1.28 1.070892504e+02 1.070892504e+02 1.30 1.001593909e+02 1.001593909e+02 1.32 9.364529025e+01 9.364529025e+01 1.34 8.753916803e+01 8.753916803e+01 1.36 8.182714354e+01 8.182714354e+01 1.38 7.649162219e+01 7.649162219e+01 1.40 7.151267432e+01 7.151267432e+01 1.42 6.686908578e+01 6.686908578e+01 1.44 6.253929747e+01 6.253929747e+01 1.46 5.844020285e+01 5.844020285e+01 1.48 5.448095003e+01 5.448095003e+01 1.50 5.068592355e+01 5.068592355e+01 1.52 4.707097664e+01 4.707097664e+01 1.54 4.364420266e+01 4.364420266e+01 1.56 4.040807615e+01 4.040807615e+01 1.58 3.736110543e+01 3.736110543e+01 1.60 3.449909091e+01 3.449909091e+01 1.62 3.181606511e+01 3.181606511e+01 1.64 2.930497803e+01 2.930497803e+01 1.66 2.695818150e+01 2.695818150e+01 1.68 2.476775856e+01 2.476775856e+01 1.70 2.272573728e+01 2.272573728e+01 1.72 2.082422226e+01 2.082422226e+01 1.74 1.905547069e+01 1.905547069e+01 1.76 1.741193392e+01 1.741193392e+01 1.78 1.588627967e+01 1.588627967e+01 1.80 1.447140492e+01 1.447140492e+01 1.82 1.316044543e+01 1.316044543e+01 1.84 1.194678484e+01 1.194678484e+01 1.86 1.082406405e+01 1.082406405e+01 1.88 9.786190691e+00 9.786190691e+00 1.90 8.827347811e+00 8.827347811e+00 1.92 7.942000934e+00 7.942000934e+00 1.94 7.124902795e+00 7.124902795e+00 1.96 6.371095364e+00 6.371095364e+00 1.98 5.675909061e+00 5.675909061e+00 2.00 5.034959270e+00 5.034959270e+00 2.02 4.444140447e+00 4.444140447e+00 2.04 3.899618189e+00 3.899618189e+00 2.06 3.397819516e+00 3.397819516e+00 2.08 2.935422334e+00 2.935422334e+00 2.10 2.509344044e+00 2.509344044e+00 2.12 2.116729530e+00 2.116729530e+00 2.14 1.754938941e+00 1.754938941e+00 2.16 1.421535469e+00 1.421535469e+00 2.18 1.114273312e+00 1.114273312e+00 2.20 8.310859270e-01 8.310859270e-01 2.22 5.700746720e-01 5.700746720e-01 2.24 3.294978958e-01 3.294978958e-01 2.26 1.077605008e-01 1.077605008e-01 2.28 -9.659600463e-02 -9.659600463e-02 2.30 -2.849040154e-01 -2.849040154e-01 2.32 -4.583819829e-01 -4.583819829e-01 2.34 -6.181438368e-01 -6.181438368e-01 2.36 -7.652067813e-01 -7.652067813e-01 2.38 -9.004985499e-01 -9.004985499e-01 2.40 -1.024864163e+00 -1.024864163e+00 2.42 -1.139072225e+00 -1.139072225e+00 2.44 -1.243820794e+00 -1.243820794e+00 2.46 -1.339742859e+00 -1.339742859e+00 2.48 -1.427411438e+00 -1.427411438e+00 2.50 -1.507344705e+00 -1.507344705e+00 2.52 -1.580013859e+00 -1.580013859e+00 2.54 -1.645853466e+00 -1.645853466e+00 2.56 -1.705272319e+00 -1.705272319e+00 2.58 -1.758656929e+00 -1.758656929e+00 2.60 -1.806372770e+00 -1.806372770e+00 2.62 -1.848765446e+00 -1.848765446e+00 2.64 -1.886161782e+00 -1.886161782e+00 2.66 -1.918870851e+00 -1.918870851e+00 2.68 -1.947184936e+00 -1.947184936e+00 2.70 -1.971380440e+00 -1.971380440e+00 2.72 -1.991718739e+00 -1.991718739e+00 2.74 -2.008446984e+00 -2.008446984e+00 2.76 -2.021798862e+00 -2.021798862e+00 2.78 -2.031995312e+00 -2.031995312e+00 2.80 -2.039245195e+00 -2.039245195e+00 2.82 -2.043745939e+00 -2.043745939e+00 2.84 -2.045684134e+00 -2.045684134e+00 2.86 -2.045236106e+00 -2.045236106e+00 2.88 -2.042568452e+00 -2.042568452e+00 2.90 -2.037838551e+00 -2.037838551e+00 2.92 -2.031195048e+00 -2.031195048e+00 2.94 -2.022778303e+00 -2.022778303e+00 2.96 -2.012720833e+00 -2.012720833e+00 2.98 -2.001147712e+00 -2.001147712e+00 3.00 -1.988176964e+00 -1.988176964e+00 3.02 -1.973919929e+00 -1.973919929e+00 3.04 -1.958481611e+00 -1.958481611e+00 3.06 -1.941961009e+00 -1.941961009e+00 3.08 -1.924451429e+00 -1.924451429e+00 3.10 -1.906040781e+00 -1.906040781e+00 3.12 -1.886811861e+00 -1.886811861e+00 3.14 -1.866842619e+00 -1.866842619e+00 3.16 -1.846206409e+00 -1.846206409e+00 3.18 -1.824972235e+00 -1.824972235e+00 3.20 -1.803204975e+00 -1.803204975e+00 3.22 -1.780965596e+00 -1.780965596e+00 3.24 -1.758311366e+00 -1.758311366e+00 3.26 -1.735296042e+00 -1.735296042e+00 3.28 -1.711970059e+00 -1.711970059e+00 3.30 -1.688380705e+00 -1.688380705e+00 3.32 -1.664572287e+00 -1.664572287e+00 3.34 -1.640586291e+00 -1.640586291e+00 3.36 -1.616461529e+00 -1.616461529e+00 3.38 -1.592234285e+00 -1.592234285e+00 3.40 -1.567938449e+00 -1.567938449e+00 3.42 -1.543605646e+00 -1.543605646e+00 3.44 -1.519265357e+00 -1.519265357e+00 3.46 -1.494945035e+00 -1.494945035e+00 3.48 -1.470670217e+00 -1.470670217e+00 3.50 -1.446464626e+00 -1.446464626e+00 3.52 -1.422350272e+00 -1.422350272e+00 3.54 -1.398347544e+00 -1.398347544e+00 3.56 -1.374475302e+00 -1.374475302e+00 3.58 -1.350750958e+00 -1.350750958e+00 3.60 -1.327190561e+00 -1.327190561e+00 3.62 -1.303808871e+00 -1.303808871e+00 3.64 -1.280619430e+00 -1.280619430e+00 3.66 -1.257634637e+00 -1.257634637e+00 3.68 -1.234865803e+00 -1.234865803e+00 3.70 -1.212323221e+00 -1.212323221e+00 3.72 -1.190016225e+00 -1.190016225e+00 3.74 -1.167953242e+00 -1.167953242e+00 3.76 -1.146141846e+00 -1.146141846e+00 3.78 -1.124588809e+00 -1.124588809e+00 3.80 -1.103300148e+00 -1.103300148e+00 3.82 -1.082281173e+00 -1.082281173e+00 3.84 -1.061536524e+00 -1.061536524e+00 3.86 -1.041070217e+00 -1.041070217e+00 3.88 -1.020885680e+00 -1.020885680e+00 3.90 -1.000985791e+00 -1.000985791e+00 3.92 -9.813729112e-01 -9.813729112e-01 3.94 -9.620489181e-01 -9.620489181e-01 3.96 -9.430152375e-01 -9.430152375e-01 3.98 -9.242728721e-01 -9.242728721e-01 4.00 -9.058224297e-01 -9.058224297e-01 4.02 -8.876641498e-01 -8.876641498e-01 4.04 -8.697979282e-01 -8.697979282e-01 4.06 -8.522233411e-01 -8.522233411e-01 4.08 -8.349396673e-01 -8.349396673e-01 4.10 -8.179459095e-01 -8.179459095e-01 4.12 -8.012408141e-01 -8.012408141e-01 4.14 -7.848228907e-01 -7.848228907e-01 4.16 -7.686904295e-01 -7.686904295e-01 4.18 -7.528415186e-01 -7.528415186e-01 4.20 -7.372740600e-01 -7.372740600e-01 4.22 -7.219857843e-01 -7.219857843e-01 4.24 -7.069742656e-01 -7.069742656e-01 4.26 -6.922369345e-01 -6.922369345e-01 4.28 -6.777710912e-01 -6.777710912e-01 4.30 -6.635739172e-01 -6.635739172e-01 4.32 -6.496424866e-01 -6.496424866e-01 4.34 -6.359737769e-01 -6.359737769e-01 4.36 -6.225646790e-01 -6.225646790e-01 4.38 -6.094120068e-01 -6.094120068e-01 4.40 -5.965125056e-01 -5.965125056e-01 4.42 -5.838628608e-01 -5.838628608e-01 4.44 -5.714597059e-01 -5.714597059e-01 4.46 -5.592996295e-01 -5.592996295e-01 4.48 -5.473791825e-01 -5.473791825e-01 4.50 -5.356948842e-01 -5.356948842e-01 4.52 -5.242432290e-01 -5.242432290e-01 4.54 -5.130206916e-01 -5.130206916e-01 4.56 -5.020237323e-01 -5.020237323e-01 4.58 -4.912488022e-01 -4.912488022e-01 4.60 -4.806923480e-01 -4.806923480e-01 4.62 -4.703508159e-01 -4.703508159e-01 4.64 -4.602206557e-01 -4.602206557e-01 4.66 -4.502983250e-01 -4.502983250e-01 4.68 -4.405802922e-01 -4.405802922e-01 4.70 -4.310630400e-01 -4.310630400e-01 4.72 -4.217430683e-01 -4.217430683e-01 4.74 -4.126168971e-01 -4.126168971e-01 4.76 -4.036810687e-01 -4.036810687e-01 4.78 -3.949321507e-01 -3.949321507e-01 4.80 -3.863667375e-01 -3.863667375e-01 4.82 -3.779814529e-01 -3.779814529e-01 4.84 -3.697729513e-01 -3.697729513e-01 4.86 -3.617379199e-01 -3.617379199e-01 4.88 -3.538730800e-01 -3.538730800e-01 4.90 -3.461751884e-01 -3.461751884e-01 4.92 -3.386410384e-01 -3.386410384e-01 4.94 -3.312674615e-01 -3.312674615e-01 4.96 -3.240513277e-01 -3.240513277e-01 4.98 -3.169895468e-01 -3.169895468e-01 5.00 -3.100790692e-01 -3.100790692e-01 5.02 -3.033168863e-01 -3.033168863e-01 5.04 -2.967000313e-01 -2.967000313e-01 5.06 -2.902255796e-01 -2.902255796e-01 5.08 -2.838906493e-01 -2.838906493e-01 5.10 -2.776924016e-01 -2.776924016e-01 5.12 -2.716374115e-01 -2.716374115e-01 5.14 -2.663692977e-01 -2.663692977e-01 5.16 -2.648781388e-01 -2.648781388e-01 5.18 -2.719273086e-01 -2.719273086e-01 5.20 -2.752306411e-01 -2.752306411e-01 5.22 -2.698475651e-01 -2.698475651e-01 5.24 -2.645701065e-01 -2.645701065e-01 5.26 -2.593962245e-01 -2.593962245e-01 5.28 -2.543239090e-01 -2.543239090e-01 5.30 -2.493511803e-01 -2.493511803e-01 5.32 -2.444760893e-01 -2.444760893e-01 5.34 -2.396967175e-01 -2.396967175e-01 5.36 -2.350111772e-01 -2.350111772e-01 5.38 -2.304176109e-01 -2.304176109e-01 5.40 -2.259141917e-01 -2.259141917e-01 5.42 -2.214991231e-01 -2.214991231e-01 5.44 -2.171706389e-01 -2.171706389e-01 5.46 -2.129270027e-01 -2.129270027e-01 5.48 -2.087665082e-01 -2.087665082e-01 5.50 -2.046874787e-01 -2.046874787e-01 5.52 -2.006882671e-01 -2.006882671e-01 5.54 -1.967672553e-01 -1.967672553e-01 5.56 -1.929228546e-01 -1.929228546e-01 5.58 -1.891535046e-01 -1.891535046e-01 5.60 -1.854576739e-01 -1.854576739e-01 5.62 -1.818338588e-01 -1.818338588e-01 5.64 -1.782805839e-01 -1.782805839e-01 5.66 -1.747964012e-01 -1.747964012e-01 5.68 -1.713798900e-01 -1.713798900e-01 5.70 -1.680296567e-01 -1.680296567e-01 5.72 -1.647443343e-01 -1.647443343e-01 5.74 -1.615225820e-01 -1.615225820e-01 5.76 -1.583630851e-01 -1.583630851e-01 5.78 -1.552645544e-01 -1.552645544e-01 5.80 -1.522257263e-01 -1.522257263e-01 5.82 -1.492453618e-01 -1.492453618e-01 5.84 -1.463222466e-01 -1.463222466e-01 5.86 -1.434551905e-01 -1.434551905e-01 5.88 -1.406430275e-01 -1.406430275e-01 5.90 -1.378846148e-01 -1.378846148e-01 5.92 -1.352827784e-01 -1.352827784e-01 5.94 -1.339881595e-01 -1.339881595e-01 5.96 -1.328254312e-01 -1.328254312e-01 5.98 -1.036889936e-01 -1.036889936e-01 6.00 -3.156986934e-22 -3.172525020e-22