# 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 = Au2NiPt # 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 3.139855834e+02 3.139855834e+02 1.30 2.917206148e+02 2.917206148e+02 1.32 2.710182834e+02 2.710182834e+02 1.34 2.517673965e+02 2.517673965e+02 1.36 2.338640808e+02 2.338640808e+02 1.38 2.172060636e+02 2.172060636e+02 1.40 2.016934084e+02 2.016934084e+02 1.42 1.872331035e+02 1.872331035e+02 1.44 1.737429875e+02 1.737429875e+02 1.46 1.611522098e+02 1.611522098e+02 1.48 1.493986590e+02 1.493986590e+02 1.50 1.384255632e+02 1.384255632e+02 1.52 1.281788107e+02 1.281788107e+02 1.54 1.186055130e+02 1.186055130e+02 1.56 1.096539909e+02 1.096539909e+02 1.58 1.012748993e+02 1.012748993e+02 1.60 9.342270719e+01 9.342270719e+01 1.62 8.605674041e+01 8.605674041e+01 1.64 7.914136261e+01 7.914136261e+01 1.66 7.264542724e+01 7.264542724e+01 1.68 6.654159231e+01 6.654159231e+01 1.70 6.080595858e+01 6.080595858e+01 1.72 5.541784687e+01 5.541784687e+01 1.74 5.037030500e+01 5.037030500e+01 1.76 4.567189474e+01 4.567189474e+01 1.78 4.135377411e+01 4.135377411e+01 1.80 3.739291473e+01 3.739291473e+01 1.82 3.375863816e+01 3.375863816e+01 1.84 3.042200888e+01 3.042200888e+01 1.86 2.735648057e+01 2.735648057e+01 1.88 2.453823216e+01 2.453823216e+01 1.90 2.194624193e+01 2.194624193e+01 1.92 1.956215138e+01 1.956215138e+01 1.94 1.736992249e+01 1.736992249e+01 1.96 1.535532198e+01 1.535532198e+01 1.98 1.350536505e+01 1.350536505e+01 2.00 1.180789239e+01 1.180789239e+01 2.02 1.025137160e+01 1.025137160e+01 2.04 8.824887007e+00 8.824887007e+00 2.06 7.518213875e+00 7.518213875e+00 2.08 6.321883534e+00 6.321883534e+00 2.10 5.227194400e+00 5.227194400e+00 2.12 4.226170147e+00 4.226170147e+00 2.14 3.311491384e+00 3.311491384e+00 2.16 2.476428731e+00 2.476428731e+00 2.18 1.714791436e+00 1.714791436e+00 2.20 1.020890202e+00 1.020890202e+00 2.22 3.895062337e-01 3.895062337e-01 2.24 -1.841394707e-01 -1.841394707e-01 2.26 -7.044179303e-01 -7.044179303e-01 2.28 -1.175324531e+00 -1.175324531e+00 2.30 -1.600512706e+00 -1.600512706e+00 2.32 -1.983331527e+00 -1.983331527e+00 2.34 -2.326868403e+00 -2.326868403e+00 2.36 -2.633993672e+00 -2.633993672e+00 2.38 -2.907399629e+00 -2.907399629e+00 2.40 -3.149626613e+00 -3.149626613e+00 2.42 -3.363073513e+00 -3.363073513e+00 2.44 -3.549996534e+00 -3.549996534e+00 2.46 -3.712504914e+00 -3.712504914e+00 2.48 -3.853127094e+00 -3.853127094e+00 2.50 -3.974715237e+00 -3.974715237e+00 2.52 -4.078609592e+00 -4.078609592e+00 2.54 -4.166090773e+00 -4.166090773e+00 2.56 -4.238442817e+00 -4.238442817e+00 2.58 -4.296948835e+00 -4.296948835e+00 2.60 -4.342870796e+00 -4.342870796e+00 2.62 -4.377418738e+00 -4.377418738e+00 2.64 -4.401716866e+00 -4.401716866e+00 2.66 -4.416777559e+00 -4.416777559e+00 2.68 -4.423491310e+00 -4.423491310e+00 2.70 -4.422627938e+00 -4.422627938e+00 2.72 -4.414894629e+00 -4.414894629e+00 2.74 -4.400962480e+00 -4.400962480e+00 2.76 -4.381200375e+00 -4.381200375e+00 2.78 -4.355919527e+00 -4.355919527e+00 2.80 -4.325317033e+00 -4.325317033e+00 2.82 -4.289552665e+00 -4.289552665e+00 2.84 -4.248805522e+00 -4.248805522e+00 2.86 -4.203277460e+00 -4.203277460e+00 2.88 -4.153200396e+00 -4.153200396e+00 2.90 -4.098842977e+00 -4.098842977e+00 2.92 -4.040513754e+00 -4.040513754e+00 2.94 -3.978577576e+00 -3.978577576e+00 2.96 -3.913457262e+00 -3.913457262e+00 2.98 -3.845623474e+00 -3.845623474e+00 3.00 -3.775575601e+00 -3.775575601e+00 3.02 -3.703816446e+00 -3.703816446e+00 3.04 -3.630825448e+00 -3.630825448e+00 3.06 -3.557035591e+00 -3.557035591e+00 3.08 -3.482817682e+00 -3.482817682e+00 3.10 -3.408473449e+00 -3.408473449e+00 3.12 -3.334236644e+00 -3.334236644e+00 3.14 -3.260280095e+00 -3.260280095e+00 3.16 -3.186726210e+00 -3.186726210e+00 3.18 -3.113658734e+00 -3.113658734e+00 3.20 -3.041134040e+00 -3.041134040e+00 3.22 -2.969192886e+00 -2.969192886e+00 3.24 -2.897910762e+00 -2.897910762e+00 3.26 -2.827389870e+00 -2.827389870e+00 3.28 -2.757712690e+00 -2.757712690e+00 3.30 -2.688946402e+00 -2.688946402e+00 3.32 -2.621147390e+00 -2.621147390e+00 3.34 -2.554364086e+00 -2.554364086e+00 3.36 -2.488638648e+00 -2.488638648e+00 3.38 -2.424007881e+00 -2.424007881e+00 3.40 -2.360503659e+00 -2.360503659e+00 3.42 -2.298153048e+00 -2.298153048e+00 3.44 -2.236978263e+00 -2.236978263e+00 3.46 -2.176996595e+00 -2.176996595e+00 3.48 -2.118220364e+00 -2.118220364e+00 3.50 -2.060656959e+00 -2.060656959e+00 3.52 -2.004309004e+00 -2.004309004e+00 3.54 -1.949174615e+00 -1.949174615e+00 3.56 -1.895247759e+00 -1.895247759e+00 3.58 -1.842518640e+00 -1.842518640e+00 3.60 -1.790974102e+00 -1.790974102e+00 3.62 -1.740597996e+00 -1.740597996e+00 3.64 -1.691371523e+00 -1.691371523e+00 3.66 -1.643273541e+00 -1.643273541e+00 3.68 -1.596280884e+00 -1.596280884e+00 3.70 -1.550368708e+00 -1.550368708e+00 3.72 -1.505510896e+00 -1.505510896e+00 3.74 -1.461680527e+00 -1.461680527e+00 3.76 -1.418850377e+00 -1.418850377e+00 3.78 -1.376993391e+00 -1.376993391e+00 3.80 -1.336083052e+00 -1.336083052e+00 3.82 -1.296093552e+00 -1.296093552e+00 3.84 -1.256999708e+00 -1.256999708e+00 3.86 -1.218776581e+00 -1.218776581e+00 3.88 -1.181398870e+00 -1.181398870e+00 3.90 -1.144840174e+00 -1.144840174e+00 3.92 -1.109072286e+00 -1.109072286e+00 3.94 -1.074064728e+00 -1.074064728e+00 3.96 -1.039784648e+00 -1.039784648e+00 3.98 -1.006197209e+00 -1.006197209e+00 4.00 -9.732664834e-01 -9.732664834e-01 4.02 -9.409567947e-01 -9.409567947e-01 4.04 -9.092343984e-01 -9.092343984e-01 4.06 -8.780693564e-01 -8.780693564e-01 4.08 -8.474374295e-01 -8.474374295e-01 4.10 -8.173218011e-01 -8.173218011e-01 4.12 -7.877144727e-01 -7.877144727e-01 4.14 -7.586170862e-01 -7.586170862e-01 4.16 -7.300411145e-01 -7.300411145e-01 4.18 -7.020072532e-01 -7.020072532e-01 4.20 -6.745440309e-01 -6.745440309e-01 4.22 -6.476857219e-01 -6.476857219e-01 4.24 -6.214697544e-01 -6.214697544e-01 4.26 -5.959338843e-01 -5.959338843e-01 4.28 -5.711134397e-01 -5.711134397e-01 4.30 -5.470389193e-01 -5.470389193e-01 4.32 -5.237341577e-01 -5.237341577e-01 4.34 -5.012151734e-01 -5.012151734e-01 4.36 -4.794897065e-01 -4.794897065e-01 4.38 -4.585573618e-01 -4.585573618e-01 4.40 -4.384102072e-01 -4.384102072e-01 4.42 -4.190336466e-01 -4.190336466e-01 4.44 -4.004073830e-01 -4.004073830e-01 4.46 -3.825063223e-01 -3.825063223e-01 4.48 -3.653013163e-01 -3.653013163e-01 4.50 -3.487597127e-01 -3.487597127e-01 4.52 -3.328457430e-01 -3.328457430e-01 4.54 -3.175208339e-01 -3.175208339e-01 4.56 -3.027439554e-01 -3.027439554e-01 4.58 -2.884721137e-01 -2.884721137e-01 4.60 -2.746610763e-01 -2.746610763e-01 4.62 -2.612663635e-01 -2.612663635e-01 4.64 -2.482444965e-01 -2.482444965e-01 4.66 -2.355544417e-01 -2.355544417e-01 4.68 -2.231591608e-01 -2.231591608e-01 4.70 -2.110271530e-01 -2.110271530e-01 4.72 -1.991338676e-01 -1.991338676e-01 4.74 -1.874628685e-01 -1.874628685e-01 4.76 -1.760066402e-01 -1.760066402e-01 4.78 -1.647669442e-01 -1.647669442e-01 4.80 -1.537546594e-01 -1.537546594e-01 4.82 -1.429890891e-01 -1.429890891e-01 4.84 -1.324967274e-01 -1.324967274e-01 4.86 -1.223095856e-01 -1.223095856e-01 4.88 -1.124631685e-01 -1.124631685e-01 4.90 -1.029942639e-01 -1.029942639e-01 4.92 -9.393871576e-02 -9.393871576e-02 4.94 -8.532935312e-02 -8.532935312e-02 4.96 -7.719422040e-02 -7.719422040e-02 4.98 -6.955521769e-02 -6.955521769e-02 5.00 -6.242720765e-02 -6.242720765e-02 5.02 -5.581759731e-02 -5.581759731e-02 5.04 -4.972636058e-02 -4.972636058e-02 5.06 -4.414643658e-02 -4.414643658e-02 5.08 -3.906442167e-02 -3.906442167e-02 5.10 -3.446146068e-02 -3.446146068e-02 5.12 -3.031427064e-02 -3.031427064e-02 5.14 -2.659620070e-02 -2.659620070e-02 5.16 -2.327822982e-02 -2.327822982e-02 5.18 -2.032959079e-02 -2.032959079e-02 5.20 -1.771967130e-02 -1.771967130e-02 5.22 -1.541852584e-02 -1.541852584e-02 5.24 -1.339630384e-02 -1.339630384e-02 5.26 -1.162431683e-02 -1.162431683e-02 5.28 -1.007560100e-02 -1.007560100e-02 5.30 -8.725118363e-03 -8.725118363e-03 5.32 -7.549862885e-03 -7.549862885e-03 5.34 -6.528889555e-03 -6.528889555e-03 5.36 -5.643283329e-03 -5.643283329e-03 5.38 -4.876083198e-03 -4.876083198e-03 5.40 -4.212174700e-03 -4.212174700e-03 5.42 -3.638162066e-03 -3.638162066e-03 5.44 -3.142229125e-03 -3.142229125e-03 5.46 -2.713996077e-03 -2.713996077e-03 5.48 -2.344377525e-03 -2.344377525e-03 5.50 -2.025445616e-03 -2.025445616e-03 5.52 -1.750300901e-03 -1.750300901e-03 5.54 -1.512952499e-03 -1.512952499e-03 5.56 -1.308208420e-03 -1.308208420e-03 5.58 -1.131576264e-03 -1.131576264e-03 5.60 -9.791741547e-04 -9.791741547e-04 5.62 -8.476514503e-04 -8.476514503e-04 5.64 -7.341186073e-04 -7.341186073e-04 5.66 -6.360854716e-04 -6.360854716e-04 5.68 -5.514072273e-04 -5.514072273e-04 5.70 -4.782372309e-04 -4.782372309e-04 5.72 -4.149859846e-04 -4.149859846e-04 5.74 -3.602855431e-04 -3.602855431e-04 5.76 -3.129587040e-04 -3.129587040e-04 5.78 -2.719923865e-04 -2.719923865e-04 5.80 -2.365146655e-04 -2.365146655e-04 5.82 -2.057749830e-04 -2.057749830e-04 5.84 -1.791271140e-04 -1.791271140e-04 5.86 -1.560145160e-04 -1.560145160e-04 5.88 -1.359577355e-04 -1.359577355e-04 5.90 -1.185435886e-04 -1.185435886e-04 5.92 -1.034158671e-04 -1.034158671e-04 5.94 -9.026735909e-05 -9.026735909e-05 5.96 -7.883299680e-05 -7.883299680e-05 5.98 -6.888397340e-05 -6.888397340e-05 6.00 -6.022269157e-05 -6.022269157e-05