# 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 = AuCu2Mo # 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 2.003962809e+02 2.003962809e+02 1.30 1.848400509e+02 1.848400509e+02 1.32 1.704673791e+02 1.704673791e+02 1.34 1.571930569e+02 1.571930569e+02 1.36 1.449354803e+02 1.449354803e+02 1.38 1.336145694e+02 1.336145694e+02 1.40 1.231523464e+02 1.231523464e+02 1.42 1.134750188e+02 1.134750188e+02 1.44 1.045148599e+02 1.045148599e+02 1.46 9.621108149e+01 9.621108149e+01 1.48 8.850983681e+01 8.850983681e+01 1.50 8.136366880e+01 8.136366880e+01 1.52 7.473051829e+01 7.473051829e+01 1.54 6.857248153e+01 6.857248153e+01 1.56 6.285471806e+01 6.285471806e+01 1.58 5.754486591e+01 5.754486591e+01 1.60 5.261301646e+01 5.261301646e+01 1.62 4.803194681e+01 4.803194681e+01 1.64 4.377719072e+01 4.377719072e+01 1.66 3.982721778e+01 3.982721778e+01 1.68 3.617332120e+01 3.617332120e+01 1.70 3.280314132e+01 3.280314132e+01 1.72 2.969779314e+01 2.969779314e+01 1.74 2.683890041e+01 2.683890041e+01 1.76 2.420850029e+01 2.420850029e+01 1.78 2.178888246e+01 2.178888246e+01 1.80 1.956266818e+01 1.956266818e+01 1.82 1.751316294e+01 1.751316294e+01 1.84 1.562483814e+01 1.562483814e+01 1.86 1.388374585e+01 1.388374585e+01 1.88 1.227768953e+01 1.227768953e+01 1.90 1.079611224e+01 1.079611224e+01 1.92 9.429803591e+00 9.429803591e+00 1.94 8.170574103e+00 8.170574103e+00 1.96 7.011000912e+00 7.011000912e+00 1.98 5.944267395e+00 5.944267395e+00 2.00 4.964063016e+00 4.964063016e+00 2.02 4.064500421e+00 4.064500421e+00 2.04 3.240028622e+00 3.240028622e+00 2.06 2.485347182e+00 2.485347182e+00 2.08 1.795341495e+00 1.795341495e+00 2.10 1.165058615e+00 1.165058615e+00 2.12 5.897289548e-01 5.897289548e-01 2.14 6.482078692e-02 6.482078692e-02 2.16 -4.138968333e-01 -4.138968333e-01 2.18 -8.503059942e-01 -8.503059942e-01 2.20 -1.247919251e+00 -1.247919251e+00 2.22 -1.609886457e+00 -1.609886457e+00 2.24 -1.939022359e+00 -1.939022359e+00 2.26 -2.237848244e+00 -2.237848244e+00 2.28 -2.508642874e+00 -2.508642874e+00 2.30 -2.753496144e+00 -2.753496144e+00 2.32 -2.974354249e+00 -2.974354249e+00 2.34 -3.172911780e+00 -3.172911780e+00 2.36 -3.350904579e+00 -3.350904579e+00 2.38 -3.510111252e+00 -3.510111252e+00 2.40 -3.652104725e+00 -3.652104725e+00 2.42 -3.778264024e+00 -3.778264024e+00 2.44 -3.889800002e+00 -3.889800002e+00 2.46 -3.987788462e+00 -3.987788462e+00 2.48 -4.073163340e+00 -4.073163340e+00 2.50 -4.146591786e+00 -4.146591786e+00 2.52 -4.208680228e+00 -4.208680228e+00 2.54 -4.260049376e+00 -4.260049376e+00 2.56 -4.301324604e+00 -4.301324604e+00 2.58 -4.333128496e+00 -4.333128496e+00 2.60 -4.356075357e+00 -4.356075357e+00 2.62 -4.370786276e+00 -4.370786276e+00 2.64 -4.377916347e+00 -4.377916347e+00 2.66 -4.377957099e+00 -4.377957099e+00 2.68 -4.371378149e+00 -4.371378149e+00 2.70 -4.358677536e+00 -4.358677536e+00 2.72 -4.340729393e+00 -4.340729393e+00 2.74 -4.317705676e+00 -4.317705676e+00 2.76 -4.289592178e+00 -4.289592178e+00 2.78 -4.256425693e+00 -4.256425693e+00 2.80 -4.218270988e+00 -4.218270988e+00 2.82 -4.175219473e+00 -4.175219473e+00 2.84 -4.127386429e+00 -4.127386429e+00 2.86 -4.074913326e+00 -4.074913326e+00 2.88 -4.017993394e+00 -4.017993394e+00 2.90 -3.956893794e+00 -3.956893794e+00 2.92 -3.891921851e+00 -3.891921851e+00 2.94 -3.823424954e+00 -3.823424954e+00 2.96 -3.751791518e+00 -3.751791518e+00 2.98 -3.677446263e+00 -3.677446263e+00 3.00 -3.600839956e+00 -3.600839956e+00 3.02 -3.522434397e+00 -3.522434397e+00 3.04 -3.442684033e+00 -3.442684033e+00 3.06 -3.362016159e+00 -3.362016159e+00 3.08 -3.280811968e+00 -3.280811968e+00 3.10 -3.199390845e+00 -3.199390845e+00 3.12 -3.117999911e+00 -3.117999911e+00 3.14 -3.036810103e+00 -3.036810103e+00 3.16 -2.955919009e+00 -2.955919009e+00 3.18 -2.875359729e+00 -2.875359729e+00 3.20 -2.795114260e+00 -2.795114260e+00 3.22 -2.715129691e+00 -2.715129691e+00 3.24 -2.635335555e+00 -2.635335555e+00 3.26 -2.555661007e+00 -2.555661007e+00 3.28 -2.476050758e+00 -2.476050758e+00 3.30 -2.396478958e+00 -2.396478958e+00 3.32 -2.316960283e+00 -2.316960283e+00 3.34 -2.237557585e+00 -2.237557585e+00 3.36 -2.158385543e+00 -2.158385543e+00 3.38 -2.079609978e+00 -2.079609978e+00 3.40 -2.001442768e+00 -2.001442768e+00 3.42 -1.924132719e+00 -1.924132719e+00 3.44 -1.847953152e+00 -1.847953152e+00 3.46 -1.773187335e+00 -1.773187335e+00 3.48 -1.700113158e+00 -1.700113158e+00 3.50 -1.628988467e+00 -1.628988467e+00 3.52 -1.560038404e+00 -1.560038404e+00 3.54 -1.493445763e+00 -1.493445763e+00 3.56 -1.429344965e+00 -1.429344965e+00 3.58 -1.367819809e+00 -1.367819809e+00 3.60 -1.308904748e+00 -1.308904748e+00 3.62 -1.252589132e+00 -1.252589132e+00 3.64 -1.198823657e+00 -1.198823657e+00 3.66 -1.147528227e+00 -1.147528227e+00 3.68 -1.098600470e+00 -1.098600470e+00 3.70 -1.051924218e+00 -1.051924218e+00 3.72 -1.007377424e+00 -1.007377424e+00 3.74 -9.648390583e-01 -9.648390583e-01 3.76 -9.241946451e-01 -9.241946451e-01 3.78 -8.853401848e-01 -8.853401848e-01 3.80 -8.481843028e-01 -8.481843028e-01 3.82 -8.126485953e-01 -8.126485953e-01 3.84 -7.786663052e-01 -7.786663052e-01 3.86 -7.461796504e-01 -7.461796504e-01 3.88 -7.151362928e-01 -7.151362928e-01 3.90 -6.854855431e-01 -6.854855431e-01 3.92 -6.571748977e-01 -6.571748977e-01 3.94 -6.301473925e-01 -6.301473925e-01 3.96 -6.043400536e-01 -6.043400536e-01 3.98 -5.796835075e-01 -5.796835075e-01 4.00 -5.561026000e-01 -5.561026000e-01 4.02 -5.335177511e-01 -5.335177511e-01 4.04 -5.118467312e-01 -5.118467312e-01 4.06 -4.910065723e-01 -4.910065723e-01 4.08 -4.709154051e-01 -4.709154051e-01 4.10 -4.514941002e-01 -4.514941002e-01 4.12 -4.326676796e-01 -4.326676796e-01 4.14 -4.143664981e-01 -4.143664981e-01 4.16 -3.965272635e-01 -3.965272635e-01 4.18 -3.790939326e-01 -3.790939326e-01 4.20 -3.620185333e-01 -3.620185333e-01 4.22 -3.452619323e-01 -3.452619323e-01 4.24 -3.287945418e-01 -3.287945418e-01 4.26 -3.125969318e-01 -3.125969318e-01 4.28 -2.966602874e-01 -2.966602874e-01 4.30 -2.809866379e-01 -2.809866379e-01 4.32 -2.655887707e-01 -2.655887707e-01 4.34 -2.504897464e-01 -2.504897464e-01 4.36 -2.357219429e-01 -2.357219429e-01 4.38 -2.213255816e-01 -2.213255816e-01 4.40 -2.073467282e-01 -2.073467282e-01 4.42 -1.938348177e-01 -1.938348177e-01 4.44 -1.808398181e-01 -1.808398181e-01 4.46 -1.684092150e-01 -1.684092150e-01 4.48 -1.565850553e-01 -1.565850553e-01 4.50 -1.454013112e-01 -1.454013112e-01 4.52 -1.348818092e-01 -1.348818092e-01 4.54 -1.250389109e-01 -1.250389109e-01 4.56 -1.158730381e-01 -1.158730381e-01 4.58 -1.073730297e-01 -1.073730297e-01 4.60 -9.951722345e-02 -9.951722345e-02 4.62 -9.227508740e-02 -9.227508740e-02 4.64 -8.560917046e-02 -8.560917046e-02 4.66 -7.947717836e-02 -7.947717836e-02 4.68 -7.383400676e-02 -7.383400676e-02 4.70 -6.863359629e-02 -6.863359629e-02 4.72 -6.383029076e-02 -6.383029076e-02 4.74 -5.938030783e-02 -5.938030783e-02 4.76 -5.524328691e-02 -5.524328691e-02 4.78 -5.138241557e-02 -5.138241557e-02 4.80 -4.776475188e-02 -4.776475188e-02 4.82 -4.436156409e-02 -4.436156409e-02 4.84 -4.114846272e-02 -4.114846272e-02 4.86 -3.810537567e-02 -3.810537567e-02 4.88 -3.521638645e-02 -3.521638645e-02 4.90 -3.246945866e-02 -3.246945866e-02 4.92 -2.985606087e-02 -2.985606087e-02 4.94 -2.737070503e-02 -2.737070503e-02 4.96 -2.501041418e-02 -2.501041418e-02 4.98 -2.277413856e-02 -2.277413856e-02 5.00 -2.066214771e-02 -2.066214771e-02 5.02 -1.867542893e-02 -1.867542893e-02 5.04 -1.681512486e-02 -1.681512486e-02 5.06 -1.508204203e-02 -1.508204203e-02 5.08 -1.347625665e-02 -1.347625665e-02 5.10 -1.199667391e-02 -1.199667391e-02 5.12 -1.064111183e-02 -1.064111183e-02 5.14 -9.406404135e-03 -9.406404135e-03 5.16 -8.288175108e-03 -8.288175108e-03 5.18 -7.280985236e-03 -7.280985236e-03 5.20 -6.378531093e-03 -6.378531093e-03 5.22 -5.573873180e-03 -5.573873180e-03 5.24 -4.859669136e-03 -4.859669136e-03 5.26 -4.228394470e-03 -4.228394470e-03 5.28 -3.672538356e-03 -3.672538356e-03 5.30 -3.184767186e-03 -3.184767186e-03 5.32 -2.758053048e-03 -2.758053048e-03 5.34 -2.385767711e-03 -2.385767711e-03 5.36 -2.061745037e-03 -2.061745037e-03 5.38 -1.780316119e-03 -1.780316119e-03 5.40 -1.536322044e-03 -1.536322044e-03 5.42 -1.325109166e-03 -1.325109166e-03 5.44 -1.142511425e-03 -1.142511425e-03 5.46 -9.848236786e-04 -9.848236786e-04 5.48 -8.487693157e-04 -8.487693157e-04 5.50 -7.314647971e-04 -7.314647971e-04 5.52 -6.303831143e-04 -6.303831143e-04 5.54 -5.433176489e-04 -5.433176489e-04 5.56 -4.683474552e-04 -4.683474552e-04 5.58 -4.038046362e-04 -4.038046362e-04 5.60 -3.482442069e-04 -3.482442069e-04 5.62 -3.004166285e-04 -3.004166285e-04 5.64 -2.592430501e-04 -2.592430501e-04 5.66 -2.237931895e-04 -2.237931895e-04 5.68 -1.932657165e-04 -1.932657165e-04 5.70 -1.669709618e-04 -1.669709618e-04 5.72 -1.443157535e-04 -1.443157535e-04 5.74 -1.247901756e-04 -1.247901756e-04 5.76 -1.079560458e-04 -1.079560458e-04 5.78 -9.343691982e-05 -9.343691982e-05 5.80 -8.090944079e-05 -8.090944079e-05 5.82 -7.009586889e-05 -7.009586889e-05 5.84 -6.075764082e-05 -6.075764082e-05 5.86 -5.268982511e-05 -5.268982511e-05 5.88 -4.571635421e-05 -4.571635421e-05 5.90 -3.968592826e-05 -3.968592826e-05 5.92 -3.446849861e-05 -3.446849861e-05 5.94 -2.995225058e-05 -2.995225058e-05 5.96 -2.604101584e-05 -2.604101584e-05 5.98 -2.265205383e-05 -2.265205383e-05 6.00 -1.971414996e-05 -1.971414996e-05