# 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 = Ag2FePt # 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 2.766549763e+02 2.766549763e+02 1.30 2.557432508e+02 2.557432508e+02 1.32 2.363888547e+02 2.363888547e+02 1.34 2.184749084e+02 2.184749084e+02 1.36 2.018929608e+02 2.018929608e+02 1.38 1.865381213e+02 1.865381213e+02 1.40 1.723074140e+02 1.723074140e+02 1.42 1.591023833e+02 1.591023833e+02 1.44 1.468334374e+02 1.468334374e+02 1.46 1.354230367e+02 1.354230367e+02 1.48 1.248060105e+02 1.248060105e+02 1.50 1.149268377e+02 1.149268377e+02 1.52 1.057354380e+02 1.057354380e+02 1.54 9.718380322e+01 9.718380322e+01 1.56 8.922483223e+01 8.922483223e+01 1.58 8.181296306e+01 8.181296306e+01 1.60 7.490536181e+01 7.490536181e+01 1.62 6.846284056e+01 6.846284056e+01 1.64 6.245035832e+01 6.245035832e+01 1.66 5.684163336e+01 5.684163336e+01 1.68 5.166819370e+01 5.166819370e+01 1.70 4.691892064e+01 4.691892064e+01 1.72 4.256287498e+01 4.256287498e+01 1.74 3.857053502e+01 3.857053502e+01 1.76 3.491328534e+01 3.491328534e+01 1.78 3.156327261e+01 3.156327261e+01 1.80 2.849386522e+01 2.849386522e+01 1.82 2.568028889e+01 2.568028889e+01 1.84 2.310000248e+01 2.310000248e+01 1.86 2.073268589e+01 2.073268589e+01 1.88 1.855999015e+01 1.855999015e+01 1.90 1.656526592e+01 1.656526592e+01 1.92 1.473338974e+01 1.473338974e+01 1.94 1.305067879e+01 1.305067879e+01 1.96 1.150482430e+01 1.150482430e+01 1.98 1.008478751e+01 1.008478751e+01 2.00 8.780646055e+00 8.780646055e+00 2.02 7.583416161e+00 7.583416161e+00 2.04 6.484891045e+00 6.484891045e+00 2.06 5.477521767e+00 5.477521767e+00 2.08 4.554337662e+00 4.554337662e+00 2.10 3.708887478e+00 3.708887478e+00 2.12 2.935188557e+00 2.935188557e+00 2.14 2.227685387e+00 2.227685387e+00 2.16 1.581224004e+00 1.581224004e+00 2.18 9.910426005e-01 9.910426005e-01 2.20 4.527702959e-01 4.527702959e-01 2.22 -3.757648473e-02 -3.757648473e-02 2.24 -4.836069270e-01 -4.836069270e-01 2.26 -8.885795150e-01 -8.885795150e-01 2.28 -1.255434388e+00 -1.255434388e+00 2.30 -1.586831226e+00 -1.586831226e+00 2.32 -1.885190117e+00 -1.885190117e+00 2.34 -2.152790602e+00 -2.152790602e+00 2.36 -2.392953385e+00 -2.392953385e+00 2.38 -2.607755933e+00 -2.607755933e+00 2.40 -2.798614837e+00 -2.798614837e+00 2.42 -2.966951267e+00 -2.966951267e+00 2.44 -3.114190561e+00 -3.114190561e+00 2.46 -3.241759283e+00 -3.241759283e+00 2.48 -3.351083360e+00 -3.351083360e+00 2.50 -3.443588591e+00 -3.443588591e+00 2.52 -3.520700213e+00 -3.520700213e+00 2.54 -3.583835074e+00 -3.583835074e+00 2.56 -3.634381621e+00 -3.634381621e+00 2.58 -3.673668826e+00 -3.673668826e+00 2.60 -3.702931042e+00 -3.702931042e+00 2.62 -3.723277468e+00 -3.723277468e+00 2.64 -3.735672259e+00 -3.735672259e+00 2.66 -3.740927789e+00 -3.740927789e+00 2.68 -3.739711413e+00 -3.739711413e+00 2.70 -3.732551625e+00 -3.732551625e+00 2.72 -3.719867269e+00 -3.719867269e+00 2.74 -3.701995577e+00 -3.701995577e+00 2.76 -3.679219261e+00 -3.679219261e+00 2.78 -3.651790989e+00 -3.651790989e+00 2.80 -3.619953395e+00 -3.619953395e+00 2.82 -3.583955309e+00 -3.583955309e+00 2.84 -3.544211244e+00 -3.544211244e+00 2.86 -3.500922762e+00 -3.500922762e+00 2.88 -3.454147746e+00 -3.454147746e+00 2.90 -3.404033834e+00 -3.404033834e+00 2.92 -3.350813734e+00 -3.350813734e+00 2.94 -3.294797139e+00 -3.294797139e+00 2.96 -3.236357601e+00 -3.236357601e+00 2.98 -3.175912481e+00 -3.175912481e+00 3.00 -3.113897500e+00 -3.113897500e+00 3.02 -3.050754617e+00 -3.050754617e+00 3.04 -2.987000084e+00 -2.987000084e+00 3.06 -2.923123699e+00 -2.923123699e+00 3.08 -2.859471488e+00 -2.859471488e+00 3.10 -2.796262929e+00 -2.796262929e+00 3.12 -2.733618439e+00 -2.733618439e+00 3.14 -2.671588438e+00 -2.671588438e+00 3.16 -2.610180205e+00 -2.610180205e+00 3.18 -2.549380536e+00 -2.549380536e+00 3.20 -2.489173363e+00 -2.489173363e+00 3.22 -2.429552304e+00 -2.429552304e+00 3.24 -2.370528425e+00 -2.370528425e+00 3.26 -2.312133683e+00 -2.312133683e+00 3.28 -2.254420673e+00 -2.254420673e+00 3.30 -2.197459423e+00 -2.197459423e+00 3.32 -2.141332146e+00 -2.141332146e+00 3.34 -2.086126896e+00 -2.086126896e+00 3.36 -2.031931048e+00 -2.031931048e+00 3.38 -1.978825414e+00 -1.978825414e+00 3.40 -1.926879559e+00 -1.926879559e+00 3.42 -1.876148655e+00 -1.876148655e+00 3.44 -1.826671910e+00 -1.826671910e+00 3.46 -1.778472420e+00 -1.778472420e+00 3.48 -1.731558144e+00 -1.731558144e+00 3.50 -1.685923617e+00 -1.685923617e+00 3.52 -1.641552055e+00 -1.641552055e+00 3.54 -1.598417556e+00 -1.598417556e+00 3.56 -1.556487152e+00 -1.556487152e+00 3.58 -1.515722601e+00 -1.515722601e+00 3.60 -1.476081840e+00 -1.476081840e+00 3.62 -1.437520111e+00 -1.437520111e+00 3.64 -1.399990784e+00 -1.399990784e+00 3.66 -1.363445955e+00 -1.363445955e+00 3.68 -1.327836875e+00 -1.327836875e+00 3.70 -1.293114286e+00 -1.293114286e+00 3.72 -1.259228723e+00 -1.259228723e+00 3.74 -1.226130818e+00 -1.226130818e+00 3.76 -1.193771635e+00 -1.193771635e+00 3.78 -1.162103032e+00 -1.162103032e+00 3.80 -1.131078044e+00 -1.131078044e+00 3.82 -1.100651253e+00 -1.100651253e+00 3.84 -1.070779122e+00 -1.070779122e+00 3.86 -1.041420264e+00 -1.041420264e+00 3.88 -1.012535627e+00 -1.012535627e+00 3.90 -9.840886160e-01 -9.840886160e-01 3.92 -9.560451574e-01 -9.560451574e-01 3.94 -9.283737783e-01 -9.283737783e-01 3.96 -9.010457274e-01 -9.010457274e-01 3.98 -8.740352449e-01 -8.740352449e-01 4.00 -8.473200124e-01 -8.473200124e-01 4.02 -8.208818356e-01 -8.208818356e-01 4.04 -7.947075665e-01 -7.947075665e-01 4.06 -7.687902241e-01 -7.687902241e-01 4.08 -7.431302233e-01 -7.431302233e-01 4.10 -7.177365562e-01 -7.177365562e-01 4.12 -6.926277592e-01 -6.926277592e-01 4.14 -6.678323734e-01 -6.678323734e-01 4.16 -6.433887900e-01 -6.433887900e-01 4.18 -6.193442527e-01 -6.193442527e-01 4.20 -5.957529982e-01 -5.957529982e-01 4.22 -5.726736104e-01 -5.726736104e-01 4.24 -5.501657999e-01 -5.501657999e-01 4.26 -5.282869242e-01 -5.282869242e-01 4.28 -5.070886083e-01 -5.070886083e-01 4.30 -4.866138016e-01 -4.866138016e-01 4.32 -4.668945228e-01 -4.668945228e-01 4.34 -4.479504282e-01 -4.479504282e-01 4.36 -4.297882197e-01 -4.297882197e-01 4.38 -4.124018138e-01 -4.124018138e-01 4.40 -3.957731370e-01 -3.957731370e-01 4.42 -3.798733878e-01 -3.798733878e-01 4.44 -3.646646120e-01 -3.646646120e-01 4.46 -3.501014529e-01 -3.501014529e-01 4.48 -3.361329639e-01 -3.361329639e-01 4.50 -3.227043945e-01 -3.227043945e-01 4.52 -3.097588855e-01 -3.097588855e-01 4.54 -2.972390335e-01 -2.972390335e-01 4.56 -2.850883085e-01 -2.850883085e-01 4.58 -2.732523254e-01 -2.732523254e-01 4.60 -2.616799873e-01 -2.616799873e-01 4.62 -2.503245240e-01 -2.503245240e-01 4.64 -2.391444506e-01 -2.391444506e-01 4.66 -2.281044620e-01 -2.281044620e-01 4.68 -2.171762644e-01 -2.171762644e-01 4.70 -2.063393270e-01 -2.063393270e-01 4.72 -1.955815132e-01 -1.955815132e-01 4.74 -1.848995349e-01 -1.848995349e-01 4.76 -1.742991570e-01 -1.742991570e-01 4.78 -1.637950791e-01 -1.637950791e-01 4.80 -1.534104299e-01 -1.534104299e-01 4.82 -1.431758466e-01 -1.431758466e-01 4.84 -1.331281186e-01 -1.331281186e-01 4.86 -1.233084785e-01 -1.233084785e-01 4.88 -1.137606141e-01 -1.137606141e-01 4.90 -1.045285467e-01 -1.045285467e-01 4.92 -9.565453202e-02 -9.565453202e-02 4.94 -8.717713959e-02 -8.717713959e-02 4.96 -7.912964128e-02 -7.912964128e-02 4.98 -7.153880145e-02 -7.153880145e-02 5.00 -6.442411170e-02 -6.442411170e-02 5.02 -5.779746696e-02 -5.779746696e-02 5.04 -5.166324125e-02 -5.166324125e-02 5.06 -4.601869735e-02 -4.601869735e-02 5.08 -4.085464974e-02 -4.085464974e-02 5.10 -3.615630273e-02 -3.615630273e-02 5.12 -3.190420129e-02 -3.190420129e-02 5.14 -2.807520819e-02 -2.807520819e-02 5.16 -2.464340439e-02 -2.464340439e-02 5.18 -2.158067352e-02 -2.158067352e-02 5.20 -1.885883928e-02 -1.885883928e-02 5.22 -1.644952203e-02 -1.644952203e-02 5.24 -1.432424651e-02 -1.432424651e-02 5.26 -1.245542268e-02 -1.245542268e-02 5.28 -1.081676105e-02 -1.081676105e-02 5.30 -9.383554940e-03 -9.383554940e-03 5.32 -8.132860590e-03 -8.132860590e-03 5.34 -7.043591886e-03 -7.043591886e-03 5.36 -6.096545598e-03 -6.096545598e-03 5.38 -5.274372418e-03 -5.274372418e-03 5.40 -4.561507507e-03 -4.561507507e-03 5.42 -3.944072553e-03 -3.944072553e-03 5.44 -3.409759440e-03 -3.409759440e-03 5.46 -2.947703748e-03 -2.947703748e-03 5.48 -2.548354520e-03 -2.548354520e-03 5.50 -2.203345146e-03 -2.203345146e-03 5.52 -1.905368859e-03 -1.905368859e-03 5.54 -1.648061186e-03 -1.648061186e-03 5.56 -1.425890819e-03 -1.425890819e-03 5.58 -1.234059648e-03 -1.234059648e-03 5.60 -1.068412197e-03 -1.068412197e-03 5.62 -9.253543222e-04 -9.253543222e-04 5.64 -8.017807656e-04 -8.017807656e-04 5.66 -6.950110196e-04 -6.950110196e-04 5.68 -6.027328382e-04 -6.027328382e-04 5.70 -5.229527121e-04 -5.229527121e-04 5.72 -4.539526079e-04 -4.539526079e-04 5.74 -3.942523001e-04 -3.942523001e-04 5.76 -3.425766583e-04 -3.425766583e-04 5.78 -2.978273010e-04 -2.978273010e-04 5.80 -2.590580789e-04 -2.590580789e-04 5.82 -2.254539012e-04 -2.254539012e-04 5.84 -1.963124734e-04 -1.963124734e-04 5.86 -1.710285609e-04 -1.710285609e-04 5.88 -1.490804402e-04 -1.490804402e-04 5.90 -1.300182415e-04 -1.300182415e-04 5.92 -1.134539222e-04 -1.134539222e-04 5.94 -9.905264752e-05 -9.905264752e-05 5.96 -8.652538035e-05 -8.652538035e-05 5.98 -7.562251377e-05 -7.562251377e-05 6.00 -6.612839779e-05 -6.612839779e-05