# 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 = FePbPt2 # 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 3.766912209e+02 3.766912209e+02 1.30 3.509330431e+02 3.509330431e+02 1.32 3.269256194e+02 3.269256194e+02 1.34 3.045471780e+02 3.045471780e+02 1.36 2.836814829e+02 2.836814829e+02 1.38 2.642175747e+02 2.642175747e+02 1.40 2.460522421e+02 2.460522421e+02 1.42 2.290922548e+02 2.290922548e+02 1.44 2.132524116e+02 2.132524116e+02 1.46 1.984518707e+02 1.984518707e+02 1.48 1.846135590e+02 1.846135590e+02 1.50 1.716658076e+02 1.716658076e+02 1.52 1.595424439e+02 1.595424439e+02 1.54 1.481809255e+02 1.481809255e+02 1.56 1.375211068e+02 1.375211068e+02 1.58 1.275057732e+02 1.275057732e+02 1.60 1.180820934e+02 1.180820934e+02 1.62 1.092027724e+02 1.092027724e+02 1.64 1.008266265e+02 1.008266265e+02 1.66 9.291879923e+01 9.291879923e+01 1.68 8.545089190e+01 8.545089190e+01 1.70 7.840077434e+01 7.840077434e+01 1.72 7.175140286e+01 7.175140286e+01 1.74 6.549001024e+01 6.549001024e+01 1.76 5.968999552e+01 5.968999552e+01 1.78 5.437617793e+01 5.437617793e+01 1.80 4.950657197e+01 4.950657197e+01 1.82 4.504048998e+01 4.504048998e+01 1.84 4.094090733e+01 4.094090733e+01 1.86 3.717564850e+01 3.717564850e+01 1.88 3.371723255e+01 3.371723255e+01 1.90 3.054168699e+01 3.054168699e+01 1.92 2.762705185e+01 2.762705185e+01 1.94 2.495227820e+01 2.495227820e+01 1.96 2.249694557e+01 2.249694557e+01 1.98 2.024158088e+01 2.024158088e+01 2.00 1.816815236e+01 1.816815236e+01 2.02 1.626040099e+01 1.626040099e+01 2.04 1.450391087e+01 1.450391087e+01 2.06 1.288598189e+01 1.288598189e+01 2.08 1.139540005e+01 1.139540005e+01 2.10 1.002218572e+01 1.002218572e+01 2.12 8.757350459e+00 8.757350459e+00 2.14 7.592705158e+00 7.592705158e+00 2.16 6.520727000e+00 6.520727000e+00 2.18 5.534488694e+00 5.534488694e+00 2.20 4.627626160e+00 4.627626160e+00 2.22 3.794322418e+00 3.794322418e+00 2.24 3.029284762e+00 3.029284762e+00 2.26 2.327709929e+00 2.327709929e+00 2.28 1.685234356e+00 1.685234356e+00 2.30 1.097882427e+00 1.097882427e+00 2.32 5.620034679e-01 5.620034679e-01 2.34 7.421249913e-02 7.421249913e-02 2.36 -3.686681701e-01 -3.686681701e-01 2.38 -7.696613701e-01 -7.696613701e-01 2.40 -1.131678436e+00 -1.131678436e+00 2.42 -1.457549047e+00 -1.457549047e+00 2.44 -1.750034930e+00 -1.750034930e+00 2.46 -2.011825731e+00 -2.011825731e+00 2.48 -2.245527120e+00 -2.245527120e+00 2.50 -2.455457219e+00 -2.455457219e+00 2.52 -2.644865486e+00 -2.644865486e+00 2.54 -2.815183474e+00 -2.815183474e+00 2.56 -2.967833611e+00 -2.967833611e+00 2.58 -3.104183820e+00 -3.104183820e+00 2.60 -3.225501762e+00 -3.225501762e+00 2.62 -3.332919489e+00 -3.332919489e+00 2.64 -3.427419702e+00 -3.427419702e+00 2.66 -3.509835496e+00 -3.509835496e+00 2.68 -3.580869555e+00 -3.580869555e+00 2.70 -3.641115377e+00 -3.641115377e+00 2.72 -3.691078276e+00 -3.691078276e+00 2.74 -3.731192654e+00 -3.731192654e+00 2.76 -3.761835690e+00 -3.761835690e+00 2.78 -3.783339192e+00 -3.783339192e+00 2.80 -3.796002581e+00 -3.796002581e+00 2.82 -3.800107189e+00 -3.800107189e+00 2.84 -3.795936201e+00 -3.795936201e+00 2.86 -3.783797696e+00 -3.783797696e+00 2.88 -3.764043810e+00 -3.764043810e+00 2.90 -3.737100111e+00 -3.737100111e+00 2.92 -3.703485948e+00 -3.703485948e+00 2.94 -3.663823978e+00 -3.663823978e+00 2.96 -3.618834148e+00 -3.618834148e+00 2.98 -3.569309200e+00 -3.569309200e+00 3.00 -3.516073413e+00 -3.516073413e+00 3.02 -3.459931593e+00 -3.459931593e+00 3.04 -3.401618058e+00 -3.401618058e+00 3.06 -3.341730320e+00 -3.341730320e+00 3.08 -3.280700858e+00 -3.280700858e+00 3.10 -3.218846385e+00 -3.218846385e+00 3.12 -3.156386071e+00 -3.156386071e+00 3.14 -3.093470351e+00 -3.093470351e+00 3.16 -3.030202350e+00 -3.030202350e+00 3.18 -2.966666118e+00 -2.966666118e+00 3.20 -2.902943325e+00 -2.902943325e+00 3.22 -2.839124027e+00 -2.839124027e+00 3.24 -2.775311131e+00 -2.775311131e+00 3.26 -2.711620103e+00 -2.711620103e+00 3.28 -2.648215510e+00 -2.648215510e+00 3.30 -2.585411949e+00 -2.585411949e+00 3.32 -2.523522572e+00 -2.523522572e+00 3.34 -2.462767253e+00 -2.462767253e+00 3.36 -2.403310059e+00 -2.403310059e+00 3.38 -2.345267494e+00 -2.345267494e+00 3.40 -2.288713092e+00 -2.288713092e+00 3.42 -2.233683440e+00 -2.233683440e+00 3.44 -2.180183558e+00 -2.180183558e+00 3.46 -2.128193720e+00 -2.128193720e+00 3.48 -2.077675422e+00 -2.077675422e+00 3.50 -2.028576917e+00 -2.028576917e+00 3.52 -1.980837049e+00 -1.980837049e+00 3.54 -1.934386124e+00 -1.934386124e+00 3.56 -1.889152919e+00 -1.889152919e+00 3.58 -1.845068164e+00 -1.845068164e+00 3.60 -1.802066009e+00 -1.802066009e+00 3.62 -1.760084983e+00 -1.760084983e+00 3.64 -1.719068531e+00 -1.719068531e+00 3.66 -1.678965216e+00 -1.678965216e+00 3.68 -1.639728655e+00 -1.639728655e+00 3.70 -1.601317260e+00 -1.601317260e+00 3.72 -1.563693779e+00 -1.563693779e+00 3.74 -1.526824708e+00 -1.526824708e+00 3.76 -1.490679601e+00 -1.490679601e+00 3.78 -1.455230352e+00 -1.455230352e+00 3.80 -1.420450520e+00 -1.420450520e+00 3.82 -1.386314788e+00 -1.386314788e+00 3.84 -1.352798600e+00 -1.352798600e+00 3.86 -1.319878004e+00 -1.319878004e+00 3.88 -1.287529719e+00 -1.287529719e+00 3.90 -1.255731367e+00 -1.255731367e+00 3.92 -1.224461518e+00 -1.224461518e+00 3.94 -1.193701609e+00 -1.193701609e+00 3.96 -1.163434263e+00 -1.163434263e+00 3.98 -1.133645504e+00 -1.133645504e+00 4.00 -1.104325007e+00 -1.104325007e+00 4.02 -1.075466775e+00 -1.075466775e+00 4.04 -1.047069781e+00 -1.047069781e+00 4.06 -1.019138475e+00 -1.019138475e+00 4.08 -9.916830630e-01 -9.916830630e-01 4.10 -9.647188585e-01 -9.647188585e-01 4.12 -9.382681304e-01 -9.382681304e-01 4.14 -9.123551793e-01 -9.123551793e-01 4.16 -8.870073348e-01 -8.870073348e-01 4.18 -8.622520393e-01 -8.622520393e-01 4.20 -8.381143276e-01 -8.381143276e-01 4.22 -8.146142452e-01 -8.146142452e-01 4.24 -7.917645105e-01 -7.917645105e-01 4.26 -7.695687044e-01 -7.695687044e-01 4.28 -7.480201955e-01 -7.480201955e-01 4.30 -7.271018841e-01 -7.271018841e-01 4.32 -7.067867226e-01 -7.067867226e-01 4.34 -6.870388573e-01 -6.870388573e-01 4.36 -6.678151740e-01 -6.678151740e-01 4.38 -6.490670172e-01 -6.490670172e-01 4.40 -6.307418808e-01 -6.307418808e-01 4.42 -6.127849244e-01 -6.127849244e-01 4.44 -5.951402383e-01 -5.951402383e-01 4.46 -5.777518368e-01 -5.777518368e-01 4.48 -5.605644116e-01 -5.605644116e-01 4.50 -5.435239064e-01 -5.435239064e-01 4.52 -5.265779940e-01 -5.265779940e-01 4.54 -5.096765394e-01 -5.096765394e-01 4.56 -4.927721337e-01 -4.927721337e-01 4.58 -4.758207684e-01 -4.758207684e-01 4.60 -4.587827081e-01 -4.587827081e-01 4.62 -4.416235956e-01 -4.416235956e-01 4.64 -4.243157989e-01 -4.243157989e-01 4.66 -4.068399748e-01 -4.068399748e-01 4.68 -3.891867846e-01 -3.891867846e-01 4.70 -3.713586563e-01 -3.713586563e-01 4.72 -3.533714378e-01 -3.533714378e-01 4.74 -3.352557530e-01 -3.352557530e-01 4.76 -3.170578418e-01 -3.170578418e-01 4.78 -2.988396657e-01 -2.988396657e-01 4.80 -2.806773801e-01 -2.806773801e-01 4.82 -2.626624363e-01 -2.626624363e-01 4.84 -2.448940482e-01 -2.448940482e-01 4.86 -2.274785468e-01 -2.274785468e-01 4.88 -2.105239786e-01 -2.105239786e-01 4.90 -1.941352023e-01 -1.941352023e-01 4.92 -1.784090678e-01 -1.784090678e-01 4.94 -1.634301082e-01 -1.634301082e-01 4.96 -1.492671184e-01 -1.492671184e-01 4.98 -1.359708796e-01 -1.359708796e-01 5.00 -1.235731449e-01 -1.235731449e-01 5.02 -1.120868530e-01 -1.120868530e-01 5.04 -1.015074080e-01 -1.015074080e-01 5.06 -9.181477950e-02 -9.181477950e-02 5.08 -8.297613581e-02 -8.297613581e-02 5.10 -7.494872522e-02 -7.494872522e-02 5.12 -6.768275762e-02 -6.768275762e-02 5.14 -6.112408435e-02 -6.112408435e-02 5.16 -5.521656700e-02 -5.521656700e-02 5.18 -4.990404308e-02 -4.990404308e-02 5.20 -4.513185679e-02 -4.513185679e-02 5.22 -4.084798326e-02 -4.084798326e-02 5.24 -3.700378293e-02 -3.700378293e-02 5.26 -3.355425529e-02 -3.355425529e-02 5.28 -3.045800343e-02 -3.045800343e-02 5.30 -2.767865652e-02 -2.767865652e-02 5.32 -2.518346013e-02 -2.518346013e-02 5.34 -2.294297351e-02 -2.294297351e-02 5.36 -2.093083384e-02 -2.093083384e-02 5.38 -1.912338487e-02 -1.912338487e-02 5.40 -1.749929000e-02 -1.749929000e-02 5.42 -1.603982612e-02 -1.603982612e-02 5.44 -1.472814662e-02 -1.472814662e-02 5.46 -1.354902190e-02 -1.354902190e-02 5.48 -1.248866342e-02 -1.248866342e-02 5.50 -1.153457441e-02 -1.153457441e-02 5.52 -1.067542475e-02 -1.067542475e-02 5.54 -9.900945792e-03 -9.900945792e-03 5.56 -9.201840879e-03 -9.201840879e-03 5.58 -8.569707305e-03 -8.569707305e-03 5.60 -7.996966283e-03 -7.996966283e-03 5.62 -7.476798510e-03 -7.476798510e-03 5.64 -7.003086305e-03 -7.003086305e-03 5.66 -6.570355885e-03 -6.570355885e-03 5.68 -6.173723471e-03 -6.173723471e-03 5.70 -5.808844290e-03 -5.808844290e-03 5.72 -5.471864453e-03 -5.471864453e-03 5.74 -5.159375929e-03 -5.159375929e-03 5.76 -4.868374802e-03 -4.868374802e-03 5.78 -4.596222961e-03 -4.596222961e-03 5.80 -4.340613290e-03 -4.340613290e-03 5.82 -4.099538300e-03 -4.099538300e-03 5.84 -3.871262056e-03 -3.871262056e-03 5.86 -3.654295165e-03 -3.654295165e-03 5.88 -3.447372479e-03 -3.447372479e-03 5.90 -3.249433107e-03 -3.249433107e-03 5.92 -3.059602289e-03 -3.059602289e-03 5.94 -2.877220998e-03 -2.877220998e-03 5.96 -2.701996584e-03 -2.701996584e-03 5.98 -2.533493184e-03 -2.533493184e-03 6.00 -2.371347899e-03 -2.371347899e-03