# 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 = Ag2AlW # 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 2.694336583e+02 2.694336583e+02 1.30 2.496833822e+02 2.496833822e+02 1.32 2.314023147e+02 2.314023147e+02 1.34 2.144760108e+02 2.144760108e+02 1.36 1.987996635e+02 1.987996635e+02 1.38 1.842768684e+02 1.842768684e+02 1.40 1.708181793e+02 1.708181793e+02 1.42 1.583398998e+02 1.583398998e+02 1.44 1.467634140e+02 1.467634140e+02 1.46 1.360152220e+02 1.360152220e+02 1.48 1.260277430e+02 1.260277430e+02 1.50 1.167403343e+02 1.167403343e+02 1.52 1.080995715e+02 1.080995715e+02 1.54 1.000584534e+02 1.000584534e+02 1.56 9.257505844e+01 9.257505844e+01 1.58 8.561130262e+01 8.561130262e+01 1.60 7.913201958e+01 7.913201958e+01 1.62 7.310430447e+01 7.310430447e+01 1.64 6.749705846e+01 6.749705846e+01 1.66 6.228075259e+01 6.228075259e+01 1.68 5.742748663e+01 5.742748663e+01 1.70 5.291165143e+01 5.291165143e+01 1.72 4.870921576e+01 4.870921576e+01 1.74 4.479796175e+01 4.479796175e+01 1.76 4.115749192e+01 4.115749192e+01 1.78 3.777247423e+01 3.777247423e+01 1.80 3.462750258e+01 3.462750258e+01 1.82 3.170591366e+01 3.170591366e+01 1.84 2.899233644e+01 2.899233644e+01 1.86 2.647264264e+01 2.647264264e+01 1.88 2.413381032e+01 2.413381032e+01 1.90 2.196371806e+01 2.196371806e+01 1.92 1.995092782e+01 1.995092782e+01 1.94 1.808453155e+01 1.808453155e+01 1.96 1.635411216e+01 1.635411216e+01 1.98 1.474980755e+01 1.474980755e+01 2.00 1.326240967e+01 1.326240967e+01 2.02 1.188342262e+01 1.188342262e+01 2.04 1.060503985e+01 1.060503985e+01 2.06 9.420047704e+00 9.420047704e+00 2.08 8.321696170e+00 8.321696170e+00 2.10 7.303588955e+00 7.303588955e+00 2.12 6.359630941e+00 6.359630941e+00 2.14 5.484041508e+00 5.484041508e+00 2.16 4.671414857e+00 4.671414857e+00 2.18 3.916794594e+00 3.916794594e+00 2.20 3.215730986e+00 3.215730986e+00 2.22 2.564300348e+00 2.564300348e+00 2.24 1.959081432e+00 1.959081432e+00 2.26 1.397097999e+00 1.397097999e+00 2.28 8.758259895e-01 8.758259895e-01 2.30 3.929146664e-01 3.929146664e-01 2.32 -5.383510615e-02 -5.383510615e-02 2.34 -4.664285781e-01 -4.664285781e-01 2.36 -8.467290057e-01 -8.467290057e-01 2.38 -1.196496582e+00 -1.196496582e+00 2.40 -1.517417913e+00 -1.517417913e+00 2.42 -1.811123976e+00 -1.811123976e+00 2.44 -2.079067144e+00 -2.079067144e+00 2.46 -2.322539234e+00 -2.322539234e+00 2.48 -2.542865454e+00 -2.542865454e+00 2.50 -2.741403646e+00 -2.741403646e+00 2.52 -2.919530459e+00 -2.919530459e+00 2.54 -3.078627861e+00 -3.078627861e+00 2.56 -3.220071614e+00 -3.220071614e+00 2.58 -3.345221153e+00 -3.345221153e+00 2.60 -3.455407047e+00 -3.455407047e+00 2.62 -3.551911125e+00 -3.551911125e+00 2.64 -3.635937948e+00 -3.635937948e+00 2.66 -3.708582541e+00 -3.708582541e+00 2.68 -3.770804148e+00 -3.770804148e+00 2.70 -3.823414761e+00 -3.823414761e+00 2.72 -3.867085647e+00 -3.867085647e+00 2.74 -3.902413492e+00 -3.902413492e+00 2.76 -3.930689499e+00 -3.930689499e+00 2.78 -3.952281520e+00 -3.952281520e+00 2.80 -3.967150482e+00 -3.967150482e+00 2.82 -3.975289742e+00 -3.975289742e+00 2.84 -3.976723850e+00 -3.976723850e+00 2.86 -3.971506870e+00 -3.971506870e+00 2.88 -3.959726342e+00 -3.959726342e+00 2.90 -3.941534064e+00 -3.941534064e+00 2.92 -3.917133003e+00 -3.917133003e+00 2.94 -3.886768776e+00 -3.886768776e+00 2.96 -3.850740610e+00 -3.850740610e+00 2.98 -3.809411735e+00 -3.809411735e+00 3.00 -3.763290223e+00 -3.763290223e+00 3.02 -3.712999048e+00 -3.712999048e+00 3.04 -3.658938918e+00 -3.658938918e+00 3.06 -3.601567510e+00 -3.601567510e+00 3.08 -3.541384880e+00 -3.541384880e+00 3.10 -3.478896281e+00 -3.478896281e+00 3.12 -3.414575158e+00 -3.414575158e+00 3.14 -3.348832301e+00 -3.348832301e+00 3.16 -3.281996187e+00 -3.281996187e+00 3.18 -3.214316258e+00 -3.214316258e+00 3.20 -3.145964974e+00 -3.145964974e+00 3.22 -3.077039042e+00 -3.077039042e+00 3.24 -3.007577641e+00 -3.007577641e+00 3.26 -2.937582931e+00 -2.937582931e+00 3.28 -2.867039958e+00 -2.867039958e+00 3.30 -2.795934510e+00 -2.795934510e+00 3.32 -2.724268208e+00 -2.724268208e+00 3.34 -2.652070572e+00 -2.652070572e+00 3.36 -2.579407941e+00 -2.579407941e+00 3.38 -2.506389134e+00 -2.506389134e+00 3.40 -2.433167712e+00 -2.433167712e+00 3.42 -2.359940720e+00 -2.359940720e+00 3.44 -2.286943874e+00 -2.286943874e+00 3.46 -2.214443478e+00 -2.214443478e+00 3.48 -2.142725568e+00 -2.142725568e+00 3.50 -2.072083187e+00 -2.072083187e+00 3.52 -2.002802878e+00 -2.002802878e+00 3.54 -1.935151662e+00 -1.935151662e+00 3.56 -1.869365653e+00 -1.869365653e+00 3.58 -1.805641249e+00 -1.805641249e+00 3.60 -1.744129456e+00 -1.744129456e+00 3.62 -1.684933510e+00 -1.684933510e+00 3.64 -1.628109563e+00 -1.628109563e+00 3.66 -1.573669908e+00 -1.573669908e+00 3.68 -1.521588065e+00 -1.521588065e+00 3.70 -1.471804991e+00 -1.471804991e+00 3.72 -1.424235746e+00 -1.424235746e+00 3.74 -1.378776073e+00 -1.378776073e+00 3.76 -1.335308489e+00 -1.335308489e+00 3.78 -1.293707644e+00 -1.293707644e+00 3.80 -1.253844826e+00 -1.253844826e+00 3.82 -1.215591584e+00 -1.215591584e+00 3.84 -1.178822522e+00 -1.178822522e+00 3.86 -1.143417335e+00 -1.143417335e+00 3.88 -1.109262176e+00 -1.109262176e+00 3.90 -1.076250487e+00 -1.076250487e+00 3.92 -1.044283358e+00 -1.044283358e+00 3.94 -1.013269572e+00 -1.013269572e+00 3.96 -9.831253312e-01 -9.831253312e-01 3.98 -9.537738793e-01 -9.537738793e-01 4.00 -9.251450173e-01 -9.251450173e-01 4.02 -8.971746286e-01 -8.971746286e-01 4.04 -8.698042897e-01 -8.698042897e-01 4.06 -8.429810322e-01 -8.429810322e-01 4.08 -8.166573146e-01 -8.166573146e-01 4.10 -7.907912287e-01 -7.907912287e-01 4.12 -7.653470280e-01 -7.653470280e-01 4.14 -7.402957780e-01 -7.402957780e-01 4.16 -7.156163242e-01 -7.156163242e-01 4.18 -6.912962855e-01 -6.912962855e-01 4.20 -6.673330114e-01 -6.673330114e-01 4.22 -6.437343065e-01 -6.437343065e-01 4.24 -6.205187234e-01 -6.205187234e-01 4.26 -5.977152255e-01 -5.977152255e-01 4.28 -5.753620721e-01 -5.753620721e-01 4.30 -5.535048579e-01 -5.535048579e-01 4.32 -5.321937595e-01 -5.321937595e-01 4.34 -5.114801729e-01 -5.114801729e-01 4.36 -4.914130421e-01 -4.914130421e-01 4.38 -4.720352547e-01 -4.720352547e-01 4.40 -4.533804883e-01 -4.533804883e-01 4.42 -4.354708276e-01 -4.354708276e-01 4.44 -4.183153596e-01 -4.183153596e-01 4.46 -4.019098015e-01 -4.019098015e-01 4.48 -3.862370816e-01 -3.862370816e-01 4.50 -3.712686822e-01 -3.712686822e-01 4.52 -3.569664986e-01 -3.569664986e-01 4.54 -3.432849580e-01 -3.432849580e-01 4.56 -3.301731750e-01 -3.301731750e-01 4.58 -3.175769753e-01 -3.175769753e-01 4.60 -3.054406843e-01 -3.054406843e-01 4.62 -2.937086334e-01 -2.937086334e-01 4.64 -2.823263876e-01 -2.823263876e-01 4.66 -2.712417297e-01 -2.712417297e-01 4.68 -2.604054533e-01 -2.604054533e-01 4.70 -2.497720266e-01 -2.497720266e-01 4.72 -2.393001828e-01 -2.393001828e-01 4.74 -2.289534852e-01 -2.289534852e-01 4.76 -2.187008993e-01 -2.187008993e-01 4.78 -2.085173866e-01 -2.085173866e-01 4.80 -1.983845060e-01 -1.983845060e-01 4.82 -1.882910373e-01 -1.882910373e-01 4.84 -1.782334729e-01 -1.782334729e-01 4.86 -1.682164520e-01 -1.682164520e-01 4.88 -1.582529510e-01 -1.582529510e-01 4.90 -1.483641902e-01 -1.483641902e-01 4.92 -1.385791775e-01 -1.385791775e-01 4.94 -1.289338353e-01 -1.289338353e-01 4.96 -1.194696989e-01 -1.194696989e-01 4.98 -1.102322154e-01 -1.102322154e-01 5.00 -1.012687247e-01 -1.012687247e-01 5.02 -9.262625644e-02 -9.262625644e-02 5.04 -8.434929851e-02 -8.434929851e-02 5.06 -7.647771263e-02 -7.647771263e-02 5.08 -6.904496614e-02 -6.904496614e-02 5.10 -6.207680398e-02 -6.207680398e-02 5.12 -5.559044503e-02 -5.559044503e-02 5.14 -4.959433154e-02 -4.959433154e-02 5.16 -4.408838414e-02 -4.408838414e-02 5.18 -3.906468528e-02 -3.906468528e-02 5.20 -3.450833499e-02 -3.450833499e-02 5.22 -3.039869002e-02 -3.039869002e-02 5.24 -2.671133072e-02 -2.671133072e-02 5.26 -2.341867712e-02 -2.341867712e-02 5.28 -2.049080293e-02 -2.049080293e-02 5.30 -1.789753882e-02 -1.789753882e-02 5.32 -1.560884565e-02 -1.560884565e-02 5.34 -1.359531274e-02 -1.359531274e-02 5.36 -1.182874205e-02 -1.182874205e-02 5.38 -1.028255586e-02 -1.028255586e-02 5.40 -8.932054722e-03 -8.932054722e-03 5.42 -7.754553654e-03 -7.754553654e-03 5.44 -6.729423286e-03 -6.729423286e-03 5.46 -5.838060097e-03 -5.838060097e-03 5.48 -5.063806211e-03 -5.063806211e-03 5.50 -4.391835640e-03 -4.391835640e-03 5.52 -3.809020339e-03 -3.809020339e-03 5.54 -3.303786316e-03 -3.303786316e-03 5.56 -2.865967365e-03 -2.865967365e-03 5.58 -2.486661769e-03 -2.486661769e-03 5.60 -2.158095633e-03 -2.158095633e-03 5.62 -1.873495080e-03 -1.873495080e-03 5.64 -1.626968583e-03 -1.626968583e-03 5.66 -1.413399940e-03 -1.413399940e-03 5.68 -1.228351881e-03 -1.228351881e-03 5.70 -1.067979937e-03 -1.067979937e-03 5.72 -9.289559840e-04 -9.289559840e-04 5.74 -8.084007486e-04 -8.084007486e-04 5.76 -7.038244792e-04 -7.038244792e-04 5.78 -6.130750007e-04 -6.130750007e-04 5.80 -5.342923691e-04 -5.342923691e-04 5.82 -4.658693927e-04 -4.658693927e-04 5.84 -4.064173326e-04 -4.064173326e-04 5.86 -3.547361571e-04 -3.547361571e-04 5.88 -3.097887822e-04 -3.097887822e-04 5.90 -2.706787910e-04 -2.706787910e-04 5.92 -2.366311803e-04 -2.366311803e-04 5.94 -2.069757352e-04 -2.069757352e-04 5.96 -1.811326819e-04 -1.811326819e-04 5.98 -1.586003119e-04 -1.586003119e-04 6.00 -1.389443097e-04 -1.389443097e-04