# 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 = Cu2NiTi # 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 1.294153013e+02 1.294153013e+02 1.30 1.189263511e+02 1.189263511e+02 1.32 1.092632256e+02 1.092632256e+02 1.34 1.003539662e+02 1.003539662e+02 1.36 9.213512974e+01 9.213512974e+01 1.38 8.455154289e+01 8.455154289e+01 1.40 7.755417458e+01 7.755417458e+01 1.42 7.109825469e+01 7.109825469e+01 1.44 6.514230538e+01 6.514230538e+01 1.46 5.964757391e+01 5.964757391e+01 1.48 5.457747736e+01 5.457747736e+01 1.50 4.989735246e+01 4.989735246e+01 1.52 4.557480284e+01 4.557480284e+01 1.54 4.158024873e+01 4.158024873e+01 1.56 3.788707498e+01 3.788707498e+01 1.58 3.447135492e+01 3.447135492e+01 1.60 3.131160302e+01 3.131160302e+01 1.62 2.838883509e+01 2.838883509e+01 1.64 2.568661756e+01 2.568661756e+01 1.66 2.319031195e+01 2.319031195e+01 1.68 2.088640268e+01 2.088640268e+01 1.70 1.876190769e+01 1.876190769e+01 1.72 1.680403606e+01 1.680403606e+01 1.74 1.500010400e+01 1.500010400e+01 1.76 1.333778359e+01 1.333778359e+01 1.78 1.180542812e+01 1.180542812e+01 1.80 1.039236414e+01 1.039236414e+01 1.82 9.089079510e+00 9.089079510e+00 1.84 7.887236418e+00 7.887236418e+00 1.86 6.779495899e+00 6.779495899e+00 1.88 5.759233477e+00 5.759233477e+00 1.90 4.820271049e+00 4.820271049e+00 1.92 3.956715093e+00 3.956715093e+00 1.94 3.162930325e+00 3.162930325e+00 1.96 2.433619874e+00 2.433619874e+00 1.98 1.763938548e+00 1.763938548e+00 2.00 1.149553076e+00 1.149553076e+00 2.02 5.866081021e-01 5.866081021e-01 2.04 7.162572592e-02 7.162572592e-02 2.06 -3.985995174e-01 -3.985995174e-01 2.08 -8.270659457e-01 -8.270659457e-01 2.10 -1.216586059e+00 -1.216586059e+00 2.12 -1.569787948e+00 -1.569787948e+00 2.14 -1.889122828e+00 -1.889122828e+00 2.16 -2.176889541e+00 -2.176889541e+00 2.18 -2.435273204e+00 -2.435273204e+00 2.20 -2.666388219e+00 -2.666388219e+00 2.22 -2.872315676e+00 -2.872315676e+00 2.24 -3.055126671e+00 -3.055126671e+00 2.26 -3.216888374e+00 -3.216888374e+00 2.28 -3.359654875e+00 -3.359654875e+00 2.30 -3.485444717e+00 -3.485444717e+00 2.32 -3.596204073e+00 -3.596204073e+00 2.34 -3.693750458e+00 -3.693750458e+00 2.36 -3.779703862e+00 -3.779703862e+00 2.38 -3.855424817e+00 -3.855424817e+00 2.40 -3.922005900e+00 -3.922005900e+00 2.42 -3.980289342e+00 -3.980289342e+00 2.44 -4.030787050e+00 -4.030787050e+00 2.46 -4.073877573e+00 -4.073877573e+00 2.48 -4.109875963e+00 -4.109875963e+00 2.50 -4.139080302e+00 -4.139080302e+00 2.52 -4.161795666e+00 -4.161795666e+00 2.54 -4.178341694e+00 -4.178341694e+00 2.56 -4.189002826e+00 -4.189002826e+00 2.58 -4.193992887e+00 -4.193992887e+00 2.60 -4.193550620e+00 -4.193550620e+00 2.62 -4.187864542e+00 -4.187864542e+00 2.64 -4.177346012e+00 -4.177346012e+00 2.66 -4.162402361e+00 -4.162402361e+00 2.68 -4.142898963e+00 -4.142898963e+00 2.70 -4.118830791e+00 -4.118830791e+00 2.72 -4.090315343e+00 -4.090315343e+00 2.74 -4.057565839e+00 -4.057565839e+00 2.76 -4.020859020e+00 -4.020859020e+00 2.78 -3.980501035e+00 -3.980501035e+00 2.80 -3.936804088e+00 -3.936804088e+00 2.82 -3.890099660e+00 -3.890099660e+00 2.84 -3.840690925e+00 -3.840690925e+00 2.86 -3.788836616e+00 -3.788836616e+00 2.88 -3.734761914e+00 -3.734761914e+00 2.90 -3.678671750e+00 -3.678671750e+00 2.92 -3.620762630e+00 -3.620762630e+00 2.94 -3.561231116e+00 -3.561231116e+00 2.96 -3.500278856e+00 -3.500278856e+00 2.98 -3.438114800e+00 -3.438114800e+00 3.00 -3.374955133e+00 -3.374955133e+00 3.02 -3.311020852e+00 -3.311020852e+00 3.04 -3.246532661e+00 -3.246532661e+00 3.06 -3.181703633e+00 -3.181703633e+00 3.08 -3.116730242e+00 -3.116730242e+00 3.10 -3.051784673e+00 -3.051784673e+00 3.12 -2.987009590e+00 -2.987009590e+00 3.14 -2.922516845e+00 -2.922516845e+00 3.16 -2.858389095e+00 -2.858389095e+00 3.18 -2.794684068e+00 -2.794684068e+00 3.20 -2.731439443e+00 -2.731439443e+00 3.22 -2.668677668e+00 -2.668677668e+00 3.24 -2.606410233e+00 -2.606410233e+00 3.26 -2.544641316e+00 -2.544641316e+00 3.28 -2.483370939e+00 -2.483370939e+00 3.30 -2.422597740e+00 -2.422597740e+00 3.32 -2.362321386e+00 -2.362321386e+00 3.34 -2.302544591e+00 -2.302544591e+00 3.36 -2.243274654e+00 -2.243274654e+00 3.38 -2.184524468e+00 -2.184524468e+00 3.40 -2.126312997e+00 -2.126312997e+00 3.42 -2.068665402e+00 -2.068665402e+00 3.44 -2.011612682e+00 -2.011612682e+00 3.46 -1.955191289e+00 -1.955191289e+00 3.48 -1.899442452e+00 -1.899442452e+00 3.50 -1.844411259e+00 -1.844411259e+00 3.52 -1.790145290e+00 -1.790145290e+00 3.54 -1.736692648e+00 -1.736692648e+00 3.56 -1.684099351e+00 -1.684099351e+00 3.58 -1.632406298e+00 -1.632406298e+00 3.60 -1.581646306e+00 -1.581646306e+00 3.62 -1.531841847e+00 -1.531841847e+00 3.64 -1.483004108e+00 -1.483004108e+00 3.66 -1.435133698e+00 -1.435133698e+00 3.68 -1.388223007e+00 -1.388223007e+00 3.70 -1.342259846e+00 -1.342259846e+00 3.72 -1.297231794e+00 -1.297231794e+00 3.74 -1.253130622e+00 -1.253130622e+00 3.76 -1.209956178e+00 -1.209956178e+00 3.78 -1.167719206e+00 -1.167719206e+00 3.80 -1.126442704e+00 -1.126442704e+00 3.82 -1.086161555e+00 -1.086161555e+00 3.84 -1.046920358e+00 -1.046920358e+00 3.86 -1.008769633e+00 -1.008769633e+00 3.88 -9.717608036e-01 -9.717608036e-01 3.90 -9.359406371e-01 -9.359406371e-01 3.92 -9.013458489e-01 -9.013458489e-01 3.94 -8.679987718e-01 -8.679987718e-01 3.96 -8.359042801e-01 -8.359042801e-01 3.98 -8.050487268e-01 -8.050487268e-01 4.00 -7.754004665e-01 -7.754004665e-01 4.02 -7.469118123e-01 -7.469118123e-01 4.04 -7.195219362e-01 -7.195219362e-01 4.06 -6.931602167e-01 -6.931602167e-01 4.08 -6.677496080e-01 -6.677496080e-01 4.10 -6.432096650e-01 -6.432096650e-01 4.12 -6.194594339e-01 -6.194594339e-01 4.14 -5.964192167e-01 -5.964192167e-01 4.16 -5.740125734e-01 -5.740125734e-01 4.18 -5.521676475e-01 -5.521676475e-01 4.20 -5.308183586e-01 -5.308183586e-01 4.22 -5.099055051e-01 -5.099055051e-01 4.24 -4.893778631e-01 -4.893778631e-01 4.26 -4.691933281e-01 -4.691933281e-01 4.28 -4.493200964e-01 -4.493200964e-01 4.30 -4.297378266e-01 -4.297378266e-01 4.32 -4.104386711e-01 -4.104386711e-01 4.34 -3.914280197e-01 -3.914280197e-01 4.36 -3.727247680e-01 -3.727247680e-01 4.38 -3.543609261e-01 -3.543609261e-01 4.40 -3.363804140e-01 -3.363804140e-01 4.42 -3.188369693e-01 -3.188369693e-01 4.44 -3.017911986e-01 -3.017911986e-01 4.46 -2.853069333e-01 -2.853069333e-01 4.48 -2.694471729e-01 -2.694471729e-01 4.50 -2.542699862e-01 -2.542699862e-01 4.52 -2.398247736e-01 -2.398247736e-01 4.54 -2.261492566e-01 -2.261492566e-01 4.56 -2.132674632e-01 -2.132674632e-01 4.58 -2.011888393e-01 -2.011888393e-01 4.60 -1.899084630e-01 -1.899084630e-01 4.62 -1.794082140e-01 -1.794082140e-01 4.64 -1.696586522e-01 -1.696586522e-01 4.66 -1.606213294e-01 -1.606213294e-01 4.68 -1.522512643e-01 -1.522512643e-01 4.70 -1.444993490e-01 -1.444993490e-01 4.72 -1.373142908e-01 -1.373142908e-01 4.74 -1.306449445e-01 -1.306449445e-01 4.76 -1.244417224e-01 -1.244417224e-01 4.78 -1.186573966e-01 -1.186573966e-01 4.80 -1.132478889e-01 -1.132478889e-01 4.82 -1.081729801e-01 -1.081729801e-01 4.84 -1.033963349e-01 -1.033963349e-01 4.86 -9.888581560e-02 -9.888581560e-02 4.88 -9.461342027e-02 -9.461342027e-02 4.90 -9.055517353e-02 -9.055517353e-02 4.92 -8.669094006e-02 -8.669094006e-02 4.94 -8.300417237e-02 -8.300417237e-02 4.96 -7.948159737e-02 -7.948159737e-02 4.98 -7.611284268e-02 -7.611284268e-02 5.00 -7.289000792e-02 -7.289000792e-02 5.02 -6.980718938e-02 -6.980718938e-02 5.04 -6.685997550e-02 -6.685997550e-02 5.06 -6.404493819e-02 -6.404493819e-02 5.08 -6.135914471e-02 -6.135914471e-02 5.10 -5.879959721e-02 -5.879959721e-02 5.12 -5.636320891e-02 -5.636320891e-02 5.14 -5.404645396e-02 -5.404645396e-02 5.16 -5.184513553e-02 -5.184513553e-02 5.18 -4.975435744e-02 -4.975435744e-02 5.20 -4.776857796e-02 -4.776857796e-02 5.22 -4.588172209e-02 -4.588172209e-02 5.24 -4.408732749e-02 -4.408732749e-02 5.26 -4.237870165e-02 -4.237870165e-02 5.28 -4.074907223e-02 -4.074907223e-02 5.30 -3.919171897e-02 -3.919171897e-02 5.32 -3.770008041e-02 -3.770008041e-02 5.34 -3.626783389e-02 -3.626783389e-02 5.36 -3.488895059e-02 -3.488895059e-02 5.38 -3.355772937e-02 -3.355772937e-02 5.40 -3.226881443e-02 -3.226881443e-02 5.42 -3.101720216e-02 -3.101720216e-02 5.44 -2.979824216e-02 -2.979824216e-02 5.46 -2.860763684e-02 -2.860763684e-02 5.48 -2.744144363e-02 -2.744144363e-02 5.50 -2.629608244e-02 -2.629608244e-02 5.52 -2.516835081e-02 -2.516835081e-02 5.54 -2.405544775e-02 -2.405544775e-02 5.56 -2.295500637e-02 -2.295500637e-02 5.58 -2.186513475e-02 -2.186513475e-02 5.60 -2.078446294e-02 -2.078446294e-02 5.62 -1.971219240e-02 -1.971219240e-02 5.64 -1.864814347e-02 -1.864814347e-02 5.66 -1.759279480e-02 -1.759279480e-02 5.68 -1.654730798e-02 -1.654730798e-02 5.70 -1.551353025e-02 -1.551353025e-02 5.72 -1.449396865e-02 -1.449396865e-02 5.74 -1.349173033e-02 -1.349173033e-02 5.76 -1.251042450e-02 -1.251042450e-02 5.78 -1.155392295e-02 -1.155392295e-02 5.80 -1.062639685e-02 -1.062639685e-02 5.82 -9.732119502e-03 -9.732119502e-03 5.84 -8.875189814e-03 -8.875189814e-03 5.86 -8.059342879e-03 -8.059342879e-03 5.88 -7.287780874e-03 -7.287780874e-03 5.90 -6.563037254e-03 -6.563037254e-03 5.92 -5.886883704e-03 -5.886883704e-03 5.94 -5.260284627e-03 -5.260284627e-03 5.96 -4.683398939e-03 -4.683398939e-03 5.98 -4.155624425e-03 -4.155624425e-03 6.00 -3.675676509e-03 -3.675676509e-03