# 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 = AgPbTi2 # 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 3.366872175e+02 3.366872175e+02 1.30 3.134303014e+02 3.134303014e+02 1.32 2.918485337e+02 2.918485337e+02 1.34 2.718099991e+02 2.718099991e+02 1.36 2.531925372e+02 2.531925372e+02 1.38 2.358837079e+02 2.358837079e+02 1.40 2.197813977e+02 2.197813977e+02 1.42 2.047937724e+02 2.047937724e+02 1.44 1.908381533e+02 1.908381533e+02 1.46 1.778392785e+02 1.778392785e+02 1.48 1.657277483e+02 1.657277483e+02 1.50 1.544391727e+02 1.544391727e+02 1.52 1.439138977e+02 1.439138977e+02 1.54 1.340968544e+02 1.340968544e+02 1.56 1.249372426e+02 1.249372426e+02 1.58 1.163880706e+02 1.163880706e+02 1.60 1.084057348e+02 1.084057348e+02 1.62 1.009498291e+02 1.009498291e+02 1.64 9.398309772e+01 9.398309772e+01 1.66 8.747133398e+01 8.747133398e+01 1.68 8.138313496e+01 8.138313496e+01 1.70 7.568962285e+01 7.568962285e+01 1.72 7.036416327e+01 7.036416327e+01 1.74 6.538204351e+01 6.538204351e+01 1.76 6.072013637e+01 6.072013637e+01 1.78 5.635694055e+01 5.635694055e+01 1.80 5.227267324e+01 5.227267324e+01 1.82 4.845432523e+01 4.845432523e+01 1.84 4.488598760e+01 4.488598760e+01 1.86 4.155101090e+01 4.155101090e+01 1.88 3.843418082e+01 3.843418082e+01 1.90 3.552153561e+01 3.552153561e+01 1.92 3.280018362e+01 3.280018362e+01 1.94 3.025813351e+01 3.025813351e+01 1.96 2.788412784e+01 2.788412784e+01 1.98 2.566750465e+01 2.566750465e+01 2.00 2.359810462e+01 2.359810462e+01 2.02 2.166623974e+01 2.166623974e+01 2.04 1.986271054e+01 1.986271054e+01 2.06 1.817885308e+01 1.817885308e+01 2.08 1.660659437e+01 1.660659437e+01 2.10 1.513849513e+01 1.513849513e+01 2.12 1.376775458e+01 1.376775458e+01 2.14 1.248816500e+01 1.248816500e+01 2.16 1.129403212e+01 1.129403212e+01 2.18 1.018008522e+01 1.018008522e+01 2.20 9.141394286e+00 9.141394286e+00 2.22 8.173308860e+00 8.173308860e+00 2.24 7.271418970e+00 7.271418970e+00 2.26 6.431540110e+00 6.431540110e+00 2.28 5.649713633e+00 5.649713633e+00 2.30 4.922217965e+00 4.922217965e+00 2.32 4.245564106e+00 4.245564106e+00 2.34 3.616488778e+00 3.616488778e+00 2.36 3.031932431e+00 3.031932431e+00 2.38 2.489022489e+00 2.489022489e+00 2.40 1.985061133e+00 1.985061133e+00 2.42 1.517518212e+00 1.517518212e+00 2.44 1.084025580e+00 1.084025580e+00 2.46 6.823714110e-01 6.823714110e-01 2.48 3.104921179e-01 3.104921179e-01 2.50 -3.353766185e-02 -3.353766185e-02 2.52 -3.515159279e-01 -3.515159279e-01 2.54 -6.451235902e-01 -6.451235902e-01 2.56 -9.159333568e-01 -9.159333568e-01 2.58 -1.165417310e+00 -1.165417310e+00 2.60 -1.394953476e+00 -1.394953476e+00 2.62 -1.605830870e+00 -1.605830870e+00 2.64 -1.799258846e+00 -1.799258846e+00 2.66 -1.976458001e+00 -1.976458001e+00 2.68 -2.138431791e+00 -2.138431791e+00 2.70 -2.286056521e+00 -2.286056521e+00 2.72 -2.420166542e+00 -2.420166542e+00 2.74 -2.541555910e+00 -2.541555910e+00 2.76 -2.650980742e+00 -2.650980742e+00 2.78 -2.749161482e+00 -2.749161482e+00 2.80 -2.836785528e+00 -2.836785528e+00 2.82 -2.914474117e+00 -2.914474117e+00 2.84 -2.982669704e+00 -2.982669704e+00 2.86 -3.041782191e+00 -3.041782191e+00 2.88 -3.092239626e+00 -3.092239626e+00 2.90 -3.134483218e+00 -3.134483218e+00 2.92 -3.168962982e+00 -3.168962982e+00 2.94 -3.196133919e+00 -3.196133919e+00 2.96 -3.216453170e+00 -3.216453170e+00 2.98 -3.230378534e+00 -3.230378534e+00 3.00 -3.238367965e+00 -3.238367965e+00 3.02 -3.240878735e+00 -3.240878735e+00 3.04 -3.238364066e+00 -3.238364066e+00 3.06 -3.231303875e+00 -3.231303875e+00 3.08 -3.220189042e+00 -3.220189042e+00 3.10 -3.205331514e+00 -3.205331514e+00 3.12 -3.187021061e+00 -3.187021061e+00 3.14 -3.165534679e+00 -3.165534679e+00 3.16 -3.141129761e+00 -3.141129761e+00 3.18 -3.114046987e+00 -3.114046987e+00 3.20 -3.084510494e+00 -3.084510494e+00 3.22 -3.052728963e+00 -3.052728963e+00 3.24 -3.018898244e+00 -3.018898244e+00 3.26 -2.983204099e+00 -2.983204099e+00 3.28 -2.945817202e+00 -2.945817202e+00 3.30 -2.906893214e+00 -2.906893214e+00 3.32 -2.866574215e+00 -2.866574215e+00 3.34 -2.824999142e+00 -2.824999142e+00 3.36 -2.782313349e+00 -2.782313349e+00 3.38 -2.738606338e+00 -2.738606338e+00 3.40 -2.693963631e+00 -2.693963631e+00 3.42 -2.648474584e+00 -2.648474584e+00 3.44 -2.602233128e+00 -2.602233128e+00 3.46 -2.555340028e+00 -2.555340028e+00 3.48 -2.507904114e+00 -2.507904114e+00 3.50 -2.460043022e+00 -2.460043022e+00 3.52 -2.411882185e+00 -2.411882185e+00 3.54 -2.363547669e+00 -2.363547669e+00 3.56 -2.315165071e+00 -2.315165071e+00 3.58 -2.266859012e+00 -2.266859012e+00 3.60 -2.218746994e+00 -2.218746994e+00 3.62 -2.170933769e+00 -2.170933769e+00 3.64 -2.123507335e+00 -2.123507335e+00 3.66 -2.076537193e+00 -2.076537193e+00 3.68 -2.030074940e+00 -2.030074940e+00 3.70 -1.984156659e+00 -1.984156659e+00 3.72 -1.938806315e+00 -1.938806315e+00 3.74 -1.894039342e+00 -1.894039342e+00 3.76 -1.849865795e+00 -1.849865795e+00 3.78 -1.806292781e+00 -1.806292781e+00 3.80 -1.763326090e+00 -1.763326090e+00 3.82 -1.720971145e+00 -1.720971145e+00 3.84 -1.679233482e+00 -1.679233482e+00 3.86 -1.638118906e+00 -1.638118906e+00 3.88 -1.597633495e+00 -1.597633495e+00 3.90 -1.557783512e+00 -1.557783512e+00 3.92 -1.518574908e+00 -1.518574908e+00 3.94 -1.480014675e+00 -1.480014675e+00 3.96 -1.442108250e+00 -1.442108250e+00 3.98 -1.404860976e+00 -1.404860976e+00 4.00 -1.368277418e+00 -1.368277418e+00 4.02 -1.332361134e+00 -1.332361134e+00 4.04 -1.297114481e+00 -1.297114481e+00 4.06 -1.262538465e+00 -1.262538465e+00 4.08 -1.228632664e+00 -1.228632664e+00 4.10 -1.195393970e+00 -1.195393970e+00 4.12 -1.162821945e+00 -1.162821945e+00 4.14 -1.130910709e+00 -1.130910709e+00 4.16 -1.099655003e+00 -1.099655003e+00 4.18 -1.069048967e+00 -1.069048967e+00 4.20 -1.039086477e+00 -1.039086477e+00 4.22 -1.009761513e+00 -1.009761513e+00 4.24 -9.810684726e-01 -9.810684726e-01 4.26 -9.530024341e-01 -9.530024341e-01 4.28 -9.255593021e-01 -9.255593021e-01 4.30 -8.987358224e-01 -8.987358224e-01 4.32 -8.725294472e-01 -8.725294472e-01 4.34 -8.469380582e-01 -8.469380582e-01 4.36 -8.219595765e-01 -8.219595765e-01 4.38 -7.975915043e-01 -7.975915043e-01 4.40 -7.738304585e-01 -7.738304585e-01 4.42 -7.506717518e-01 -7.506717518e-01 4.44 -7.281090699e-01 -7.281090699e-01 4.46 -7.061342744e-01 -7.061342744e-01 4.48 -6.847373389e-01 -6.847373389e-01 4.50 -6.639064064e-01 -6.639064064e-01 4.52 -6.436279437e-01 -6.436279437e-01 4.54 -6.238869582e-01 -6.238869582e-01 4.56 -6.046672486e-01 -6.046672486e-01 4.58 -5.859516604e-01 -5.859516604e-01 4.60 -5.677223297e-01 -5.677223297e-01 4.62 -5.499609062e-01 -5.499609062e-01 4.64 -5.326487545e-01 -5.326487545e-01 4.66 -5.157671376e-01 -5.157671376e-01 4.68 -4.992973927e-01 -4.992973927e-01 4.70 -4.832211093e-01 -4.832211093e-01 4.72 -4.675203223e-01 -4.675203223e-01 4.74 -4.521777282e-01 -4.521777282e-01 4.76 -4.371769350e-01 -4.371769350e-01 4.78 -4.225027484e-01 -4.225027484e-01 4.80 -4.081406977e-01 -4.081406977e-01 4.82 -3.940807037e-01 -3.940807037e-01 4.84 -3.803122660e-01 -3.803122660e-01 4.86 -3.668284370e-01 -3.668284370e-01 4.88 -3.536251983e-01 -3.536251983e-01 4.90 -3.407017079e-01 -3.407017079e-01 4.92 -3.280604265e-01 -3.280604265e-01 4.94 -3.157070773e-01 -3.157070773e-01 4.96 -3.036504037e-01 -3.036504037e-01 4.98 -2.919017033e-01 -2.919017033e-01 5.00 -2.804741379e-01 -2.804741379e-01 5.02 -2.693818517e-01 -2.693818517e-01 5.04 -2.586389578e-01 -2.586389578e-01 5.06 -2.482584788e-01 -2.482584788e-01 5.08 -2.382513398e-01 -2.382513398e-01 5.10 -2.286255139e-01 -2.286255139e-01 5.12 -2.193853981e-01 -2.193853981e-01 5.14 -2.105314685e-01 -2.105314685e-01 5.16 -2.020602271e-01 -2.020602271e-01 5.18 -1.939644114e-01 -1.939644114e-01 5.20 -1.862334156e-01 -1.862334156e-01 5.22 -1.788538485e-01 -1.788538485e-01 5.24 -1.718101577e-01 -1.718101577e-01 5.26 -1.650852497e-01 -1.650852497e-01 5.28 -1.586610592e-01 -1.586610592e-01 5.30 -1.525190313e-01 -1.525190313e-01 5.32 -1.466405061e-01 -1.466405061e-01 5.34 -1.410070035e-01 -1.410070035e-01 5.36 -1.356004223e-01 -1.356004223e-01 5.38 -1.304031699e-01 -1.304031699e-01 5.40 -1.253982434e-01 -1.253982434e-01 5.42 -1.205692811e-01 -1.205692811e-01 5.44 -1.159006012e-01 -1.159006012e-01 5.46 -1.113772417e-01 -1.113772417e-01 5.48 -1.069850094e-01 -1.069850094e-01 5.50 -1.027105454e-01 -1.027105454e-01 5.52 -9.854141012e-02 -9.854141012e-02 5.54 -9.446618850e-02 -9.446618850e-02 5.56 -9.047461400e-02 -9.047461400e-02 5.58 -8.655770791e-02 -8.655770791e-02 5.60 -8.270792814e-02 -8.270792814e-02 5.62 -7.891931908e-02 -7.891931908e-02 5.64 -7.518765106e-02 -7.518765106e-02 5.66 -7.151053623e-02 -7.151053623e-02 5.68 -6.788750284e-02 -6.788750284e-02 5.70 -6.432001494e-02 -6.432001494e-02 5.72 -6.081141958e-02 -6.081141958e-02 5.74 -5.736680945e-02 -5.736680945e-02 5.76 -5.399279491e-02 -5.399279491e-02 5.78 -5.069718899e-02 -5.069718899e-02 5.80 -4.748861400e-02 -4.748861400e-02 5.82 -4.437605351e-02 -4.437605351e-02 5.84 -4.136838217e-02 -4.136838217e-02 5.86 -3.847390624e-02 -3.847390624e-02 5.88 -3.569995122e-02 -3.569995122e-02 5.90 -3.305252801e-02 -3.305252801e-02 5.92 -3.053591283e-02 -3.053591283e-02 5.94 -2.815237422e-02 -2.815237422e-02 5.96 -2.590327739e-02 -2.590327739e-02 5.98 -2.378845990e-02 -2.378845990e-02 6.00 -2.180625326e-02 -2.180625326e-02