# 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 = Cu2PdTi # 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 1.829158880e+02 1.829158880e+02 1.30 1.688533268e+02 1.688533268e+02 1.32 1.558559206e+02 1.558559206e+02 1.34 1.438397308e+02 1.438397308e+02 1.36 1.327266364e+02 1.327266364e+02 1.38 1.224431679e+02 1.224431679e+02 1.40 1.129206593e+02 1.129206593e+02 1.42 1.040962061e+02 1.040962061e+02 1.44 9.591353640e+01 9.591353640e+01 1.46 8.832311016e+01 8.832311016e+01 1.48 8.128119363e+01 8.128119363e+01 1.50 7.474831253e+01 7.474831253e+01 1.52 6.868777118e+01 6.868777118e+01 1.54 6.306464498e+01 6.306464498e+01 1.56 5.784535730e+01 5.784535730e+01 1.58 5.299786332e+01 5.299786332e+01 1.60 4.849232266e+01 4.849232266e+01 1.62 4.430190076e+01 4.430190076e+01 1.64 4.040326415e+01 4.040326415e+01 1.66 3.677856616e+01 3.677856616e+01 1.68 3.342447068e+01 3.342447068e+01 1.70 3.032569634e+01 3.032569634e+01 1.72 2.746472875e+01 2.746472875e+01 1.74 2.482467370e+01 2.482467370e+01 1.76 2.238931203e+01 2.238931203e+01 1.78 2.014332280e+01 2.014332280e+01 1.80 1.807237630e+01 1.807237630e+01 1.82 1.616310618e+01 1.616310618e+01 1.84 1.440304635e+01 1.440304635e+01 1.86 1.278057918e+01 1.278057918e+01 1.88 1.128489995e+01 1.128489995e+01 1.90 9.905998751e+00 9.905998751e+00 1.92 8.634662369e+00 8.634662369e+00 1.94 7.462498031e+00 7.462498031e+00 1.96 6.381960698e+00 6.381960698e+00 1.98 5.386345781e+00 5.386345781e+00 2.00 4.469708898e+00 4.469708898e+00 2.02 3.626714620e+00 3.626714620e+00 2.04 2.852463025e+00 2.852463025e+00 2.06 2.142353312e+00 2.142353312e+00 2.08 1.492015022e+00 1.492015022e+00 2.10 8.972976905e-01 8.972976905e-01 2.12 3.542872169e-01 3.542872169e-01 2.14 -1.406815725e-01 -1.406815725e-01 2.16 -5.910290258e-01 -5.910290258e-01 2.18 -9.999501194e-01 -9.999501194e-01 2.20 -1.370441492e+00 -1.370441492e+00 2.22 -1.705329494e+00 -1.705329494e+00 2.24 -2.007294973e+00 -2.007294973e+00 2.26 -2.278893862e+00 -2.278893862e+00 2.28 -2.522573226e+00 -2.522573226e+00 2.30 -2.740679342e+00 -2.740679342e+00 2.32 -2.935452235e+00 -2.935452235e+00 2.34 -3.109001696e+00 -3.109001696e+00 2.36 -3.263271912e+00 -3.263271912e+00 2.38 -3.400009759e+00 -3.400009759e+00 2.40 -3.520753651e+00 -3.520753651e+00 2.42 -3.626849040e+00 -3.626849040e+00 2.44 -3.719521141e+00 -3.719521141e+00 2.46 -3.799853432e+00 -3.799853432e+00 2.48 -3.868764761e+00 -3.868764761e+00 2.50 -3.927130414e+00 -3.927130414e+00 2.52 -3.975780307e+00 -3.975780307e+00 2.54 -4.015486992e+00 -4.015486992e+00 2.56 -4.046953613e+00 -4.046953613e+00 2.58 -4.070813191e+00 -4.070813191e+00 2.60 -4.087850144e+00 -4.087850144e+00 2.62 -4.098476180e+00 -4.098476180e+00 2.64 -4.102908515e+00 -4.102908515e+00 2.66 -4.101411266e+00 -4.101411266e+00 2.68 -4.094648252e+00 -4.094648252e+00 2.70 -4.082931296e+00 -4.082931296e+00 2.72 -4.066217818e+00 -4.066217818e+00 2.74 -4.044567516e+00 -4.044567516e+00 2.76 -4.018124375e+00 -4.018124375e+00 2.78 -3.987113541e+00 -3.987113541e+00 2.80 -3.951782356e+00 -3.951782356e+00 2.82 -3.912381844e+00 -3.912381844e+00 2.84 -3.869173405e+00 -3.869173405e+00 2.86 -3.822464231e+00 -3.822464231e+00 2.88 -3.772576469e+00 -3.772576469e+00 2.90 -3.719840019e+00 -3.719840019e+00 2.92 -3.664595489e+00 -3.664595489e+00 2.94 -3.607191726e+00 -3.607191726e+00 2.96 -3.547979112e+00 -3.547979112e+00 2.98 -3.487301119e+00 -3.487301119e+00 3.00 -3.425486312e+00 -3.425486312e+00 3.02 -3.362841810e+00 -3.362841810e+00 3.04 -3.299647878e+00 -3.299647878e+00 3.06 -3.236153290e+00 -3.236153290e+00 3.08 -3.172570657e+00 -3.172570657e+00 3.10 -3.109073446e+00 -3.109073446e+00 3.12 -3.045794910e+00 -3.045794910e+00 3.14 -2.982830060e+00 -2.982830060e+00 3.16 -2.920239710e+00 -2.920239710e+00 3.18 -2.858056522e+00 -2.858056522e+00 3.20 -2.796291310e+00 -2.796291310e+00 3.22 -2.734939140e+00 -2.734939140e+00 3.24 -2.673984829e+00 -2.673984829e+00 3.26 -2.613407810e+00 -2.613407810e+00 3.28 -2.553186440e+00 -2.553186440e+00 3.30 -2.493301802e+00 -2.493301802e+00 3.32 -2.433740949e+00 -2.433740949e+00 3.34 -2.374499483e+00 -2.374499483e+00 3.36 -2.315583335e+00 -2.315583335e+00 3.38 -2.257009689e+00 -2.257009689e+00 3.40 -2.198807062e+00 -2.198807062e+00 3.42 -2.141014778e+00 -2.141014778e+00 3.44 -2.083681776e+00 -2.083681776e+00 3.46 -2.026865277e+00 -2.026865277e+00 3.48 -1.970629133e+00 -1.970629133e+00 3.50 -1.915041966e+00 -1.915041966e+00 3.52 -1.860174934e+00 -1.860174934e+00 3.54 -1.806099012e+00 -1.806099012e+00 3.56 -1.752881750e+00 -1.752881750e+00 3.58 -1.700583743e+00 -1.700583743e+00 3.60 -1.649255269e+00 -1.649255269e+00 3.62 -1.598933721e+00 -1.598933721e+00 3.64 -1.549642404e+00 -1.549642404e+00 3.66 -1.501391000e+00 -1.501391000e+00 3.68 -1.454177653e+00 -1.454177653e+00 3.70 -1.407992281e+00 -1.407992281e+00 3.72 -1.362820549e+00 -1.362820549e+00 3.74 -1.318647852e+00 -1.318647852e+00 3.76 -1.275462763e+00 -1.275462763e+00 3.78 -1.233259505e+00 -1.233259505e+00 3.80 -1.192039171e+00 -1.192039171e+00 3.82 -1.151809574e+00 -1.151809574e+00 3.84 -1.112583795e+00 -1.112583795e+00 3.86 -1.074377681e+00 -1.074377681e+00 3.88 -1.037206707e+00 -1.037206707e+00 3.90 -1.001082745e+00 -1.001082745e+00 3.92 -9.660112245e-01 -9.660112245e-01 3.94 -9.319892801e-01 -9.319892801e-01 3.96 -8.990047732e-01 -8.990047732e-01 3.98 -8.670366886e-01 -8.670366886e-01 4.00 -8.360563635e-01 -8.360563635e-01 4.02 -8.060293801e-01 -8.060293801e-01 4.04 -7.769177223e-01 -7.769177223e-01 4.06 -7.486818410e-01 -7.486818410e-01 4.08 -7.212823521e-01 -7.212823521e-01 4.10 -6.946811378e-01 -6.946811378e-01 4.12 -6.688421719e-01 -6.688421719e-01 4.14 -6.437311854e-01 -6.437311854e-01 4.16 -6.193156315e-01 -6.193156315e-01 4.18 -5.955641459e-01 -5.955641459e-01 4.20 -5.724461499e-01 -5.724461499e-01 4.22 -5.499317194e-01 -5.499317194e-01 4.24 -5.279918504e-01 -5.279918504e-01 4.26 -5.065991663e-01 -5.065991663e-01 4.28 -4.857290107e-01 -4.857290107e-01 4.30 -4.653607919e-01 -4.653607919e-01 4.32 -4.454793776e-01 -4.454793776e-01 4.34 -4.260763110e-01 -4.260763110e-01 4.36 -4.071506225e-01 -4.071506225e-01 4.38 -3.887090445e-01 -3.887090445e-01 4.40 -3.707655102e-01 -3.707655102e-01 4.42 -3.533399051e-01 -3.533399051e-01 4.44 -3.364561509e-01 -3.364561509e-01 4.46 -3.201398047e-01 -3.201398047e-01 4.48 -3.044154394e-01 -3.044154394e-01 4.50 -2.893041128e-01 -2.893041128e-01 4.52 -2.748212263e-01 -2.748212263e-01 4.54 -2.609750105e-01 -2.609750105e-01 4.56 -2.477657783e-01 -2.477657783e-01 4.58 -2.351859711e-01 -2.351859711e-01 4.60 -2.232209124e-01 -2.232209124e-01 4.62 -2.118501034e-01 -2.118501034e-01 4.64 -2.010488478e-01 -2.010488478e-01 4.66 -1.907899814e-01 -1.907899814e-01 4.68 -1.810455138e-01 -1.810455138e-01 4.70 -1.717880218e-01 -1.717880218e-01 4.72 -1.629915362e-01 -1.629915362e-01 4.74 -1.546324022e-01 -1.546324022e-01 4.76 -1.466898476e-01 -1.466898476e-01 4.78 -1.391454487e-01 -1.391454487e-01 4.80 -1.319828172e-01 -1.319828172e-01 4.82 -1.251873397e-01 -1.251873397e-01 4.84 -1.187453957e-01 -1.187453957e-01 4.86 -1.126440687e-01 -1.126440687e-01 4.88 -1.068707054e-01 -1.068707054e-01 4.90 -1.014126633e-01 -1.014126633e-01 4.92 -9.625719696e-02 -9.625719696e-02 4.94 -9.139146653e-02 -9.139146653e-02 4.96 -8.680262896e-02 -8.680262896e-02 4.98 -8.247797012e-02 -8.247797012e-02 5.00 -7.840502411e-02 -7.840502411e-02 5.02 -7.457165357e-02 -7.457165357e-02 5.04 -7.096607309e-02 -7.096607309e-02 5.06 -6.757681483e-02 -6.757681483e-02 5.08 -6.439264794e-02 -6.439264794e-02 5.10 -6.140241030e-02 -6.140241030e-02 5.12 -5.859508326e-02 -5.859508326e-02 5.14 -5.595967265e-02 -5.595967265e-02 5.16 -5.348513593e-02 -5.348513593e-02 5.18 -5.116040826e-02 -5.116040826e-02 5.20 -4.897446737e-02 -4.897446737e-02 5.22 -4.691642527e-02 -4.691642527e-02 5.24 -4.497563225e-02 -4.497563225e-02 5.26 -4.314177937e-02 -4.314177937e-02 5.28 -4.140498853e-02 -4.140498853e-02 5.30 -3.975588310e-02 -3.975588310e-02 5.32 -3.818563609e-02 -3.818563609e-02 5.34 -3.668599605e-02 -3.668599605e-02 5.36 -3.524929360e-02 -3.524929360e-02 5.38 -3.386843256e-02 -3.386843256e-02 5.40 -3.253687070e-02 -3.253687070e-02 5.42 -3.124859482e-02 -3.124859482e-02 5.44 -2.999809477e-02 -2.999809477e-02 5.46 -2.878034023e-02 -2.878034023e-02 5.48 -2.759076350e-02 -2.759076350e-02 5.50 -2.642525069e-02 -2.642525069e-02 5.52 -2.528014310e-02 -2.528014310e-02 5.54 -2.415224943e-02 -2.415224943e-02 5.56 -2.303886865e-02 -2.303886865e-02 5.58 -2.193782253e-02 -2.193782253e-02 5.60 -2.084749558e-02 -2.084749558e-02 5.62 -1.976687860e-02 -1.976687860e-02 5.64 -1.869561106e-02 -1.869561106e-02 5.66 -1.763401621e-02 -1.763401621e-02 5.68 -1.658312206e-02 -1.658312206e-02 5.70 -1.554466098e-02 -1.554466098e-02 5.72 -1.452104116e-02 -1.452104116e-02 5.74 -1.351528465e-02 -1.351528465e-02 5.76 -1.253092803e-02 -1.253092803e-02 5.78 -1.157178226e-02 -1.157178226e-02 5.80 -1.064195917e-02 -1.064195917e-02 5.82 -9.745685727e-03 -9.745685727e-03 5.84 -8.887020775e-03 -8.887020775e-03 5.86 -8.069664768e-03 -8.069664768e-03 5.88 -7.296789909e-03 -7.296789909e-03 5.90 -6.570903714e-03 -6.570903714e-03 5.92 -5.893755405e-03 -5.893755405e-03 5.94 -5.266289928e-03 -5.266289928e-03 5.96 -4.688649342e-03 -4.688649342e-03 5.98 -4.160216818e-03 -4.160216818e-03 6.00 -3.679695114e-03 -3.679695114e-03