# 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 = AgAl2Au # 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 1.745735105e+02 1.745735105e+02 1.30 1.621719517e+02 1.621719517e+02 1.32 1.506613097e+02 1.506613097e+02 1.34 1.399711097e+02 1.399711097e+02 1.36 1.300370420e+02 1.300370420e+02 1.38 1.207997616e+02 1.207997616e+02 1.40 1.122043755e+02 1.122043755e+02 1.42 1.042004947e+02 1.042004947e+02 1.44 9.674253448e+01 9.674253448e+01 1.46 8.978992146e+01 8.978992146e+01 1.48 8.330677721e+01 8.330677721e+01 1.50 7.726090127e+01 7.726090127e+01 1.52 7.162250472e+01 7.162250472e+01 1.54 6.636332845e+01 6.636332845e+01 1.56 6.145632204e+01 6.145632204e+01 1.58 5.687568729e+01 5.687568729e+01 1.60 5.259709839e+01 5.259709839e+01 1.62 4.860043506e+01 4.860043506e+01 1.64 4.487556786e+01 4.487556786e+01 1.66 4.140503422e+01 4.140503422e+01 1.68 3.817147156e+01 3.817147156e+01 1.70 3.516019065e+01 3.516019065e+01 1.72 3.235779840e+01 3.235779840e+01 1.74 2.974935215e+01 2.974935215e+01 1.76 2.732078105e+01 2.732078105e+01 1.78 2.505893590e+01 2.505893590e+01 1.80 2.295164478e+01 2.295164478e+01 1.82 2.098775991e+01 2.098775991e+01 1.84 1.915716941e+01 1.915716941e+01 1.86 1.745074824e+01 1.745074824e+01 1.88 1.586024870e+01 1.586024870e+01 1.90 1.437815742e+01 1.437815742e+01 1.92 1.299755298e+01 1.299755298e+01 1.94 1.171199252e+01 1.171199252e+01 1.96 1.051544016e+01 1.051544016e+01 1.98 9.402229760e+00 9.402229760e+00 2.00 8.367041993e+00 8.367041993e+00 2.02 7.404881402e+00 7.404881402e+00 2.04 6.511050162e+00 6.511050162e+00 2.06 5.681119362e+00 5.681119362e+00 2.08 4.910898275e+00 4.910898275e+00 2.10 4.196405106e+00 4.196405106e+00 2.12 3.533845916e+00 3.533845916e+00 2.14 2.919607083e+00 2.919607083e+00 2.16 2.350262357e+00 2.350262357e+00 2.18 1.822591431e+00 1.822591431e+00 2.20 1.333603796e+00 1.333603796e+00 2.22 8.805593824e-01 8.805593824e-01 2.24 4.609783242e-01 4.609783242e-01 2.26 7.263649918e-02 7.263649918e-02 2.28 -2.864510698e-01 -2.864510698e-01 2.30 -6.180538472e-01 -6.180538472e-01 2.32 -9.237521318e-01 -9.237521318e-01 2.34 -1.204963831e+00 -1.204963831e+00 2.36 -1.462971698e+00 -1.462971698e+00 2.38 -1.698951437e+00 -1.698951437e+00 2.40 -1.914000655e+00 -1.914000655e+00 2.42 -2.109167536e+00 -2.109167536e+00 2.44 -2.285477104e+00 -2.285477104e+00 2.46 -2.443952653e+00 -2.443952653e+00 2.48 -2.585630408e+00 -2.585630408e+00 2.50 -2.711567138e+00 -2.711567138e+00 2.52 -2.822842722e+00 -2.822842722e+00 2.54 -2.920561081e+00 -2.920561081e+00 2.56 -3.005851655e+00 -3.005851655e+00 2.58 -3.079869212e+00 -3.079869212e+00 2.60 -3.143784966e+00 -3.143784966e+00 2.62 -3.198761446e+00 -3.198761446e+00 2.64 -3.245933104e+00 -3.245933104e+00 2.66 -3.286364747e+00 -3.286364747e+00 2.68 -3.320841328e+00 -3.320841328e+00 2.70 -3.349986110e+00 -3.349986110e+00 2.72 -3.375167757e+00 -3.375167757e+00 2.74 -3.397155241e+00 -3.397155241e+00 2.76 -3.415664866e+00 -3.415664866e+00 2.78 -3.430451839e+00 -3.430451839e+00 2.80 -3.441315661e+00 -3.441315661e+00 2.82 -3.448100994e+00 -3.448100994e+00 2.84 -3.450694170e+00 -3.450694170e+00 2.86 -3.449060092e+00 -3.449060092e+00 2.88 -3.443208849e+00 -3.443208849e+00 2.90 -3.433097305e+00 -3.433097305e+00 2.92 -3.418743481e+00 -3.418743481e+00 2.94 -3.400210962e+00 -3.400210962e+00 2.96 -3.377612556e+00 -3.377612556e+00 2.98 -3.351117455e+00 -3.351117455e+00 3.00 -3.320958568e+00 -3.320958568e+00 3.02 -3.287436746e+00 -3.287436746e+00 3.04 -3.250918411e+00 -3.250918411e+00 3.06 -3.211825348e+00 -3.211825348e+00 3.08 -3.170615709e+00 -3.170615709e+00 3.10 -3.127751875e+00 -3.127751875e+00 3.12 -3.083669769e+00 -3.083669769e+00 3.14 -3.038753080e+00 -3.038753080e+00 3.16 -2.993316144e+00 -2.993316144e+00 3.18 -2.947597723e+00 -2.947597723e+00 3.20 -2.901764559e+00 -2.901764559e+00 3.22 -2.855921880e+00 -2.855921880e+00 3.24 -2.810127290e+00 -2.810127290e+00 3.26 -2.764405016e+00 -2.764405016e+00 3.28 -2.718758525e+00 -2.718758525e+00 3.30 -2.673180595e+00 -2.673180595e+00 3.32 -2.627660724e+00 -2.627660724e+00 3.34 -2.582190217e+00 -2.582190217e+00 3.36 -2.536765437e+00 -2.536765437e+00 3.38 -2.491389700e+00 -2.491389700e+00 3.40 -2.446074175e+00 -2.446074175e+00 3.42 -2.400838065e+00 -2.400838065e+00 3.44 -2.355708188e+00 -2.355708188e+00 3.46 -2.310718150e+00 -2.310718150e+00 3.48 -2.265907141e+00 -2.265907141e+00 3.50 -2.221318482e+00 -2.221318482e+00 3.52 -2.176998026e+00 -2.176998026e+00 3.54 -2.132992507e+00 -2.132992507e+00 3.56 -2.089347949e+00 -2.089347949e+00 3.58 -2.046108201e+00 -2.046108201e+00 3.60 -2.003313660e+00 -2.003313660e+00 3.62 -1.961000226e+00 -1.961000226e+00 3.64 -1.919198478e+00 -1.919198478e+00 3.66 -1.877933094e+00 -1.877933094e+00 3.68 -1.837222493e+00 -1.837222493e+00 3.70 -1.797078681e+00 -1.797078681e+00 3.72 -1.757507308e+00 -1.757507308e+00 3.74 -1.718507897e+00 -1.718507897e+00 3.76 -1.680074257e+00 -1.680074257e+00 3.78 -1.642195042e+00 -1.642195042e+00 3.80 -1.604854446e+00 -1.604854446e+00 3.82 -1.568032999e+00 -1.568032999e+00 3.84 -1.531708416e+00 -1.531708416e+00 3.86 -1.495856458e+00 -1.495856458e+00 3.88 -1.460451752e+00 -1.460451752e+00 3.90 -1.425468518e+00 -1.425468518e+00 3.92 -1.390881153e+00 -1.390881153e+00 3.94 -1.356664702e+00 -1.356664702e+00 3.96 -1.322795094e+00 -1.322795094e+00 3.98 -1.289249322e+00 -1.289249322e+00 4.00 -1.256005498e+00 -1.256005498e+00 4.02 -1.223042898e+00 -1.223042898e+00 4.04 -1.190342075e+00 -1.190342075e+00 4.06 -1.157885119e+00 -1.157885119e+00 4.08 -1.125656149e+00 -1.125656149e+00 4.10 -1.093642083e+00 -1.093642083e+00 4.12 -1.061833825e+00 -1.061833825e+00 4.14 -1.030227556e+00 -1.030227556e+00 4.16 -9.988264832e-01 -9.988264832e-01 4.18 -9.676425766e-01 -9.676425766e-01 4.20 -9.366982400e-01 -9.366982400e-01 4.22 -9.060276338e-01 -9.060276338e-01 4.24 -8.756773672e-01 -8.756773672e-01 4.26 -8.457062831e-01 -8.457062831e-01 4.28 -8.161841270e-01 -8.161841270e-01 4.30 -7.871890100e-01 -7.871890100e-01 4.32 -7.588037446e-01 -7.588037446e-01 4.34 -7.311113181e-01 -7.311113181e-01 4.36 -7.041899326e-01 -7.041899326e-01 4.38 -6.781081397e-01 -6.781081397e-01 4.40 -6.529206047e-01 -6.529206047e-01 4.42 -6.286649462e-01 -6.286649462e-01 4.44 -6.053599250e-01 -6.053599250e-01 4.46 -5.830050539e-01 -5.830050539e-01 4.48 -5.615815044e-01 -5.615815044e-01 4.50 -5.410540439e-01 -5.410540439e-01 4.52 -5.213736593e-01 -5.213736593e-01 4.54 -5.024805176e-01 -5.024805176e-01 4.56 -4.843069614e-01 -4.843069614e-01 4.58 -4.667803151e-01 -4.667803151e-01 4.60 -4.498253668e-01 -4.498253668e-01 4.62 -4.333664700e-01 -4.333664700e-01 4.64 -4.173292761e-01 -4.173292761e-01 4.66 -4.016421491e-01 -4.016421491e-01 4.68 -3.862373404e-01 -3.862373404e-01 4.70 -3.710520100e-01 -3.710520100e-01 4.72 -3.560291706e-01 -3.560291706e-01 4.74 -3.411186213e-01 -3.411186213e-01 4.76 -3.262779128e-01 -3.262779128e-01 4.78 -3.114733560e-01 -3.114733560e-01 4.80 -2.966810481e-01 -2.966810481e-01 4.82 -2.818879363e-01 -2.818879363e-01 4.84 -2.670926513e-01 -2.670926513e-01 4.86 -2.523062546e-01 -2.523062546e-01 4.88 -2.375525759e-01 -2.375525759e-01 4.90 -2.228680890e-01 -2.228680890e-01 4.92 -2.083011970e-01 -2.083011970e-01 4.94 -1.939108496e-01 -1.939108496e-01 4.96 -1.797644755e-01 -1.797644755e-01 4.98 -1.659352881e-01 -1.659352881e-01 5.00 -1.524991026e-01 -1.524991026e-01 5.02 -1.395308748e-01 -1.395308748e-01 5.04 -1.271012349e-01 -1.271012349e-01 5.06 -1.152732705e-01 -1.152732705e-01 5.08 -1.040998296e-01 -1.040998296e-01 5.10 -9.362154118e-02 -9.362154118e-02 5.12 -8.386564992e-02 -8.386564992e-02 5.14 -7.484572568e-02 -7.484572568e-02 5.16 -6.656214931e-02 -6.656214931e-02 5.18 -5.900324519e-02 -5.900324519e-02 5.20 -5.214682132e-02 -5.214682132e-02 5.22 -4.596178771e-02 -4.596178771e-02 5.24 -4.041118490e-02 -4.041118490e-02 5.26 -3.545348190e-02 -3.545348190e-02 5.28 -3.104427828e-02 -3.104427828e-02 5.30 -2.713793199e-02 -2.713793199e-02 5.32 -2.368891392e-02 -2.368891392e-02 5.34 -2.065287447e-02 -2.065287447e-02 5.36 -1.798743371e-02 -1.798743371e-02 5.38 -1.565234169e-02 -1.565234169e-02 5.40 -1.361068695e-02 -1.361068695e-02 5.42 -1.182883146e-02 -1.182883146e-02 5.44 -1.027607239e-02 -1.027607239e-02 5.46 -8.924648888e-03 -8.924648888e-03 5.48 -7.749655364e-03 -7.749655364e-03 5.50 -6.728892737e-03 -6.728892737e-03 5.52 -5.842681558e-03 -5.842681558e-03 5.54 -5.073655276e-03 -5.073655276e-03 5.56 -4.406546764e-03 -4.406546764e-03 5.58 -3.827977325e-03 -3.827977325e-03 5.60 -3.326254383e-03 -3.326254383e-03 5.62 -2.891181685e-03 -2.891181685e-03 5.64 -2.513884198e-03 -2.513884198e-03 5.66 -2.186648631e-03 -2.186648631e-03 5.68 -1.902779656e-03 -1.902779656e-03 5.70 -1.656471357e-03 -1.656471357e-03 5.72 -1.442693050e-03 -1.442693050e-03 5.74 -1.257088429e-03 -1.257088429e-03 5.76 -1.095886869e-03 -1.095886869e-03 5.78 -9.558257282e-04 -9.558257282e-04 5.80 -8.340824768e-04 -8.340824768e-04 5.82 -7.282155761e-04 -7.282155761e-04 5.84 -6.361130746e-04 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