# 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 = Au2FeZr # 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 3.496650774e+02 3.496650774e+02 1.30 3.240099958e+02 3.240099958e+02 1.32 3.002725090e+02 3.002725090e+02 1.34 2.782988945e+02 2.782988945e+02 1.36 2.579480004e+02 2.579480004e+02 1.38 2.390907916e+02 2.390907916e+02 1.40 2.216098274e+02 2.216098274e+02 1.42 2.053984724e+02 2.053984724e+02 1.44 1.903599072e+02 1.903599072e+02 1.46 1.764054239e+02 1.764054239e+02 1.48 1.634525658e+02 1.634525658e+02 1.50 1.514244501e+02 1.514244501e+02 1.52 1.402502425e+02 1.402502425e+02 1.54 1.298653072e+02 1.298653072e+02 1.56 1.202105568e+02 1.202105568e+02 1.58 1.112312634e+02 1.112312634e+02 1.60 1.028762735e+02 1.028762735e+02 1.62 9.509782348e+01 9.509782348e+01 1.64 8.785183450e+01 8.785183450e+01 1.66 8.109815280e+01 8.109815280e+01 1.68 7.480064343e+01 7.480064343e+01 1.70 6.892703878e+01 6.892703878e+01 1.72 6.344847886e+01 6.344847886e+01 1.74 5.833882103e+01 5.833882103e+01 1.76 5.357391754e+01 5.357391754e+01 1.78 4.913102493e+01 4.913102493e+01 1.80 4.498845074e+01 4.498845074e+01 1.82 4.112556047e+01 4.112556047e+01 1.84 3.752308819e+01 3.752308819e+01 1.86 3.417561679e+01 3.417561679e+01 1.88 3.107696352e+01 3.107696352e+01 1.90 2.820876958e+01 2.820876958e+01 1.92 2.555418852e+01 2.555418852e+01 1.94 2.309756492e+01 2.309756492e+01 1.96 2.082427402e+01 2.082427402e+01 1.98 1.872058970e+01 1.872058970e+01 2.00 1.677364671e+01 1.677364671e+01 2.02 1.497147460e+01 1.497147460e+01 2.04 1.330306395e+01 1.330306395e+01 2.06 1.175840473e+01 1.175840473e+01 2.08 1.032845475e+01 1.032845475e+01 2.10 9.005067592e+00 9.005067592e+00 2.12 7.780846372e+00 7.780846372e+00 2.14 6.649005794e+00 6.649005794e+00 2.16 5.603237595e+00 5.603237595e+00 2.18 4.637611368e+00 4.637611368e+00 2.20 3.746530803e+00 3.746530803e+00 2.22 2.924714176e+00 2.924714176e+00 2.24 2.167201340e+00 2.167201340e+00 2.26 1.469370951e+00 1.469370951e+00 2.28 8.269461839e-01 8.269461839e-01 2.30 2.360158038e-01 2.360158038e-01 2.32 -3.069805900e-01 -3.069805900e-01 2.34 -8.052858094e-01 -8.052858094e-01 2.36 -1.261853729e+00 -1.261853729e+00 2.38 -1.679391867e+00 -1.679391867e+00 2.40 -2.060399412e+00 -2.060399412e+00 2.42 -2.407204485e+00 -2.407204485e+00 2.44 -2.721987811e+00 -2.721987811e+00 2.46 -3.006807557e+00 -3.006807557e+00 2.48 -3.263614055e+00 -3.263614055e+00 2.50 -3.494263479e+00 -3.494263479e+00 2.52 -3.700533413e+00 -3.700533413e+00 2.54 -3.884156515e+00 -3.884156515e+00 2.56 -4.046867909e+00 -4.046867909e+00 2.58 -4.190220415e+00 -4.190220415e+00 2.60 -4.315719127e+00 -4.315719127e+00 2.62 -4.424822980e+00 -4.424822980e+00 2.64 -4.518916892e+00 -4.518916892e+00 2.66 -4.599283695e+00 -4.599283695e+00 2.68 -4.667081052e+00 -4.667081052e+00 2.70 -4.723198978e+00 -4.723198978e+00 2.72 -4.768311815e+00 -4.768311815e+00 2.74 -4.803047845e+00 -4.803047845e+00 2.76 -4.828003246e+00 -4.828003246e+00 2.78 -4.843748294e+00 -4.843748294e+00 2.80 -4.850841696e+00 -4.850841696e+00 2.82 -4.849824060e+00 -4.849824060e+00 2.84 -4.841230039e+00 -4.841230039e+00 2.86 -4.825588055e+00 -4.825588055e+00 2.88 -4.803420617e+00 -4.803420617e+00 2.90 -4.775308776e+00 -4.775308776e+00 2.92 -4.741833299e+00 -4.741833299e+00 2.94 -4.703354187e+00 -4.703354187e+00 2.96 -4.660230723e+00 -4.660230723e+00 2.98 -4.612828612e+00 -4.612828612e+00 3.00 -4.561514434e+00 -4.561514434e+00 3.02 -4.506651457e+00 -4.506651457e+00 3.04 -4.448594558e+00 -4.448594558e+00 3.06 -4.387694155e+00 -4.387694155e+00 3.08 -4.324272060e+00 -4.324272060e+00 3.10 -4.258595053e+00 -4.258595053e+00 3.12 -4.190836967e+00 -4.190836967e+00 3.14 -4.121169283e+00 -4.121169283e+00 3.16 -4.049762553e+00 -4.049762553e+00 3.18 -3.976794483e+00 -3.976794483e+00 3.20 -3.902449771e+00 -3.902449771e+00 3.22 -3.826923307e+00 -3.826923307e+00 3.24 -3.750423544e+00 -3.750423544e+00 3.26 -3.673174918e+00 -3.673174918e+00 3.28 -3.595418038e+00 -3.595418038e+00 3.30 -3.517406611e+00 -3.517406611e+00 3.32 -3.439400629e+00 -3.439400629e+00 3.34 -3.361656396e+00 -3.361656396e+00 3.36 -3.284415026e+00 -3.284415026e+00 3.38 -3.207891674e+00 -3.207891674e+00 3.40 -3.132266542e+00 -3.132266542e+00 3.42 -3.057685545e+00 -3.057685545e+00 3.44 -2.984253395e+00 -2.984253395e+00 3.46 -2.912042227e+00 -2.912042227e+00 3.48 -2.841095640e+00 -2.841095640e+00 3.50 -2.771434734e+00 -2.771434734e+00 3.52 -2.703063803e+00 -2.703063803e+00 3.54 -2.635975181e+00 -2.635975181e+00 3.56 -2.570153029e+00 -2.570153029e+00 3.58 -2.505576135e+00 -2.505576135e+00 3.60 -2.442219876e+00 -2.442219876e+00 3.62 -2.380057558e+00 -2.380057558e+00 3.64 -2.319061355e+00 -2.319061355e+00 3.66 -2.259203017e+00 -2.259203017e+00 3.68 -2.200454537e+00 -2.200454537e+00 3.70 -2.142788879e+00 -2.142788879e+00 3.72 -2.086180880e+00 -2.086180880e+00 3.74 -2.030608339e+00 -2.030608339e+00 3.76 -1.976053271e+00 -1.976053271e+00 3.78 -1.922503198e+00 -1.922503198e+00 3.80 -1.869952277e+00 -1.869952277e+00 3.82 -1.818401987e+00 -1.818401987e+00 3.84 -1.767861079e+00 -1.767861079e+00 3.86 -1.718344573e+00 -1.718344573e+00 3.88 -1.669871735e+00 -1.669871735e+00 3.90 -1.622463221e+00 -1.622463221e+00 3.92 -1.576136273e+00 -1.576136273e+00 3.94 -1.530907884e+00 -1.530907884e+00 3.96 -1.486782335e+00 -1.486782335e+00 3.98 -1.443756841e+00 -1.443756841e+00 4.00 -1.401819496e+00 -1.401819496e+00 4.02 -1.360950175e+00 -1.360950175e+00 4.04 -1.321122199e+00 -1.321122199e+00 4.06 -1.282304401e+00 -1.282304401e+00 4.08 -1.244463243e+00 -1.244463243e+00 4.10 -1.207560711e+00 -1.207560711e+00 4.12 -1.171572890e+00 -1.171572890e+00 4.14 -1.136464529e+00 -1.136464529e+00 4.16 -1.102208826e+00 -1.102208826e+00 4.18 -1.068783097e+00 -1.068783097e+00 4.20 -1.036169174e+00 -1.036169174e+00 4.22 -1.004353556e+00 -1.004353556e+00 4.24 -9.733272885e-01 -9.733272885e-01 4.26 -9.430855670e-01 -9.430855670e-01 4.28 -9.136270556e-01 -9.136270556e-01 4.30 -8.849529276e-01 -8.849529276e-01 4.32 -8.570656826e-01 -8.570656826e-01 4.34 -8.299678229e-01 -8.299678229e-01 4.36 -8.036605050e-01 -8.036605050e-01 4.38 -7.781422980e-01 -7.781422980e-01 4.40 -7.534081720e-01 -7.534081720e-01 4.42 -7.294488076e-01 -7.294488076e-01 4.44 -7.062502755e-01 -7.062502755e-01 4.46 -6.837940814e-01 -6.837940814e-01 4.48 -6.620575257e-01 -6.620575257e-01 4.50 -6.410143009e-01 -6.410143009e-01 4.52 -6.206352323e-01 -6.206352323e-01 4.54 -6.008890748e-01 -6.008890748e-01 4.56 -5.817432945e-01 -5.817432945e-01 4.58 -5.631647844e-01 -5.631647844e-01 4.60 -5.451204890e-01 -5.451204890e-01 4.62 -5.275779310e-01 -5.275779310e-01 4.64 -5.105056482e-01 -5.105056482e-01 4.66 -4.938735601e-01 -4.938735601e-01 4.68 -4.776532842e-01 -4.776532842e-01 4.70 -4.618184260e-01 -4.618184260e-01 4.72 -4.463448589e-01 -4.463448589e-01 4.74 -4.312110093e-01 -4.312110093e-01 4.76 -4.163981505e-01 -4.163981505e-01 4.78 -4.018907028e-01 -4.018907028e-01 4.80 -3.876734041e-01 -3.876734041e-01 4.82 -3.737445982e-01 -3.737445982e-01 4.84 -3.600960224e-01 -3.600960224e-01 4.86 -3.467272030e-01 -3.467272030e-01 4.88 -3.336416717e-01 -3.336416717e-01 4.90 -3.208467772e-01 -3.208467772e-01 4.92 -3.083532998e-01 -3.083532998e-01 4.94 -2.961748544e-01 -2.961748544e-01 4.96 -2.843270920e-01 -2.843270920e-01 4.98 -2.728267307e-01 -2.728267307e-01 5.00 -2.616904718e-01 -2.616904718e-01 5.02 -2.509338786e-01 -2.509338786e-01 5.04 -2.405703029e-01 -2.405703029e-01 5.06 -2.306099480e-01 -2.306099480e-01 5.08 -2.210591411e-01 -2.210591411e-01 5.10 -2.119198691e-01 -2.119198691e-01 5.12 -2.031896005e-01 -2.031896005e-01 5.14 -1.948613884e-01 -1.948613884e-01 5.16 -1.869242238e-01 -1.869242238e-01 5.18 -1.793635872e-01 -1.793635872e-01 5.20 -1.721621222e-01 -1.721621222e-01 5.22 -1.653002285e-01 -1.653002285e-01 5.24 -1.587573348e-01 -1.587573348e-01 5.26 -1.525124007e-01 -1.525124007e-01 5.28 -1.465445187e-01 -1.465445187e-01 5.30 -1.408335507e-01 -1.408335507e-01 5.32 -1.353606579e-01 -1.353606579e-01 5.34 -1.301087166e-01 -1.301087166e-01 5.36 -1.250626164e-01 -1.250626164e-01 5.38 -1.202094396e-01 -1.202094396e-01 5.40 -1.155385226e-01 -1.155385226e-01 5.42 -1.110414010e-01 -1.110414010e-01 5.44 -1.067116452e-01 -1.067116452e-01 5.46 -1.025445963e-01 -1.025445963e-01 5.48 -9.853702264e-02 -9.853702264e-02 5.50 -9.468671671e-02 -9.468671671e-02 5.52 -9.099206826e-02 -9.099206826e-02 5.54 -8.745164420e-02 -8.745164420e-02 5.56 -8.406380759e-02 -8.406380759e-02 5.58 -8.082640376e-02 -8.082640376e-02 5.60 -7.773648687e-02 -7.773648687e-02 5.62 -7.479001000e-02 -7.479001000e-02 5.64 -7.198241538e-02 -7.198241538e-02 5.66 -6.930828392e-02 -6.930828392e-02 5.68 -6.676136312e-02 -6.676136312e-02 5.70 -6.433473182e-02 -6.433473182e-02 5.72 -6.202098436e-02 -6.202098436e-02 5.74 -5.981241552e-02 -5.981241552e-02 5.76 -5.770119212e-02 -5.770119212e-02 5.78 -5.567950207e-02 -5.567950207e-02 5.80 -5.373967608e-02 -5.373967608e-02 5.82 -5.187428110e-02 -5.187428110e-02 5.84 -5.007618737e-02 -5.007618737e-02 5.86 -4.833861258e-02 -4.833861258e-02 5.88 -4.665514770e-02 -4.665514770e-02 5.90 -4.501976944e-02 -4.501976944e-02 5.92 -4.342684395e-02 -4.342684395e-02 5.94 -4.187112603e-02 -4.187112603e-02 5.96 -4.034775784e-02 -4.034775784e-02 5.98 -3.885226991e-02 -3.885226991e-02 6.00 -3.738058712e-02 -3.738058712e-02