# 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 = Au2CoTa # 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 3.265603071e+02 3.265603071e+02 1.30 3.027697987e+02 3.027697987e+02 1.32 2.807551124e+02 2.807551124e+02 1.34 2.603754699e+02 2.603754699e+02 1.36 2.414978041e+02 2.414978041e+02 1.38 2.239977623e+02 2.239977623e+02 1.40 2.077612828e+02 2.077612828e+02 1.42 1.926852302e+02 1.926852302e+02 1.44 1.786770043e+02 1.786770043e+02 1.46 1.656534787e+02 1.656534787e+02 1.48 1.535396132e+02 1.535396132e+02 1.50 1.422673168e+02 1.422673168e+02 1.52 1.317748783e+02 1.317748783e+02 1.54 1.220064373e+02 1.220064373e+02 1.56 1.129109249e+02 1.129109249e+02 1.58 1.044407464e+02 1.044407464e+02 1.60 9.655089595e+01 9.655089595e+01 1.62 8.919877581e+01 8.919877581e+01 1.64 8.234444758e+01 8.234444758e+01 1.66 7.595089417e+01 7.595089417e+01 1.68 6.998406136e+01 6.998406136e+01 1.70 6.441270377e+01 6.441270377e+01 1.72 5.920817867e+01 5.920817867e+01 1.74 5.434425233e+01 5.434425233e+01 1.76 4.979687197e+01 4.979687197e+01 1.78 4.554395002e+01 4.554395002e+01 1.80 4.156835037e+01 4.156835037e+01 1.82 3.785270839e+01 3.785270839e+01 1.84 3.439598184e+01 3.439598184e+01 1.86 3.118829942e+01 3.118829942e+01 1.88 2.821180178e+01 2.821180178e+01 1.90 2.545026023e+01 2.545026023e+01 1.92 2.288918552e+01 2.288918552e+01 1.94 2.051571753e+01 2.051571753e+01 1.96 1.831838801e+01 1.831838801e+01 1.98 1.628678094e+01 1.628678094e+01 2.00 1.441115630e+01 1.441115630e+01 2.02 1.268212394e+01 1.268212394e+01 2.04 1.109043581e+01 1.109043581e+01 2.06 9.626918058e+00 9.626918058e+00 2.08 8.282519611e+00 8.282519611e+00 2.10 7.048430593e+00 7.048430593e+00 2.12 5.916221263e+00 5.916221263e+00 2.14 4.877961886e+00 4.877961886e+00 2.16 3.926300422e+00 3.926300422e+00 2.18 3.054492007e+00 3.054492007e+00 2.20 2.256386231e+00 2.256386231e+00 2.22 1.526383788e+00 1.526383788e+00 2.24 8.593746880e-01 8.593746880e-01 2.26 2.506686036e-01 2.506686036e-01 2.28 -3.040740031e-01 -3.040740031e-01 2.30 -8.089026185e-01 -8.089026185e-01 2.32 -1.267622821e+00 -1.267622821e+00 2.34 -1.683823268e+00 -1.683823268e+00 2.36 -2.060882683e+00 -2.060882683e+00 2.38 -2.401960863e+00 -2.401960863e+00 2.40 -2.709982062e+00 -2.709982062e+00 2.42 -2.987620747e+00 -2.987620747e+00 2.44 -3.237188945e+00 -3.237188945e+00 2.46 -3.460896608e+00 -3.460896608e+00 2.48 -3.660882114e+00 -3.660882114e+00 2.50 -3.839049145e+00 -3.839049145e+00 2.52 -3.997112901e+00 -3.997112901e+00 2.54 -4.136644035e+00 -4.136644035e+00 2.56 -4.259099393e+00 -4.259099393e+00 2.58 -4.365673725e+00 -4.365673725e+00 2.60 -4.457359410e+00 -4.457359410e+00 2.62 -4.535177103e+00 -4.535177103e+00 2.64 -4.600149913e+00 -4.600149913e+00 2.66 -4.653264824e+00 -4.653264824e+00 2.68 -4.695442161e+00 -4.695442161e+00 2.70 -4.727552818e+00 -4.727552818e+00 2.72 -4.750343605e+00 -4.750343605e+00 2.74 -4.764437570e+00 -4.764437570e+00 2.76 -4.770403168e+00 -4.770403168e+00 2.78 -4.768765610e+00 -4.768765610e+00 2.80 -4.760016588e+00 -4.760016588e+00 2.82 -4.744621284e+00 -4.744621284e+00 2.84 -4.723084068e+00 -4.723084068e+00 2.86 -4.695896781e+00 -4.695896781e+00 2.88 -4.663266670e+00 -4.663266670e+00 2.90 -4.625402638e+00 -4.625402638e+00 2.92 -4.582538628e+00 -4.582538628e+00 2.94 -4.534929214e+00 -4.534929214e+00 2.96 -4.482847064e+00 -4.482847064e+00 2.98 -4.426581556e+00 -4.426581556e+00 3.00 -4.366437427e+00 -4.366437427e+00 3.02 -4.302725044e+00 -4.302725044e+00 3.04 -4.235755255e+00 -4.235755255e+00 3.06 -4.165843230e+00 -4.165843230e+00 3.08 -4.093299822e+00 -4.093299822e+00 3.10 -4.018421699e+00 -4.018421699e+00 3.12 -3.941483391e+00 -3.941483391e+00 3.14 -3.862733214e+00 -3.862733214e+00 3.16 -3.782393991e+00 -3.782393991e+00 3.18 -3.700668216e+00 -3.700668216e+00 3.20 -3.617746249e+00 -3.617746249e+00 3.22 -3.533815587e+00 -3.533815587e+00 3.24 -3.449069301e+00 -3.449069301e+00 3.26 -3.363712034e+00 -3.363712034e+00 3.28 -3.277962558e+00 -3.277962558e+00 3.30 -3.192052499e+00 -3.192052499e+00 3.32 -3.106221472e+00 -3.106221472e+00 3.34 -3.020709403e+00 -3.020709403e+00 3.36 -2.935747187e+00 -2.935747187e+00 3.38 -2.851547049e+00 -2.851547049e+00 3.40 -2.768293875e+00 -2.768293875e+00 3.42 -2.686138568e+00 -2.686138568e+00 3.44 -2.605194043e+00 -2.605194043e+00 3.46 -2.525534091e+00 -2.525534091e+00 3.48 -2.447194877e+00 -2.447194877e+00 3.50 -2.370178651e+00 -2.370178651e+00 3.52 -2.294459041e+00 -2.294459041e+00 3.54 -2.219987348e+00 -2.219987348e+00 3.56 -2.146699327e+00 -2.146699327e+00 3.58 -2.074522062e+00 -2.074522062e+00 3.60 -2.003380685e+00 -2.003380685e+00 3.62 -1.933204760e+00 -1.933204760e+00 3.64 -1.863934242e+00 -1.863934242e+00 3.66 -1.795524870e+00 -1.795524870e+00 3.68 -1.727952873e+00 -1.727952873e+00 3.70 -1.661218790e+00 -1.661218790e+00 3.72 -1.595350135e+00 -1.595350135e+00 3.74 -1.530402663e+00 -1.530402663e+00 3.76 -1.466459945e+00 -1.466459945e+00 3.78 -1.403631109e+00 -1.403631109e+00 3.80 -1.342046674e+00 -1.342046674e+00 3.82 -1.281852636e+00 -1.281852636e+00 3.84 -1.223203159e+00 -1.223203159e+00 3.86 -1.166252391e+00 -1.166252391e+00 3.88 -1.111146087e+00 -1.111146087e+00 3.90 -1.058013749e+00 -1.058013749e+00 3.92 -1.006961943e+00 -1.006961943e+00 3.94 -9.580693146e-01 -9.580693146e-01 3.96 -9.113836091e-01 -9.113836091e-01 3.98 -8.669207779e-01 -8.669207779e-01 4.00 -8.246660308e-01 -8.246660308e-01 4.02 -7.845765298e-01 -7.845765298e-01 4.04 -7.465853180e-01 -7.465853180e-01 4.06 -7.106060448e-01 -7.106060448e-01 4.08 -6.765380719e-01 -6.765380719e-01 4.10 -6.442716042e-01 -6.442716042e-01 4.12 -6.136925843e-01 -6.136925843e-01 4.14 -5.846871171e-01 -5.846871171e-01 4.16 -5.571453343e-01 -5.571453343e-01 4.18 -5.309645667e-01 -5.309645667e-01 4.20 -5.060517676e-01 -5.060517676e-01 4.22 -4.823251207e-01 -4.823251207e-01 4.24 -4.597147863e-01 -4.597147863e-01 4.26 -4.381627610e-01 -4.381627610e-01 4.28 -4.176218789e-01 -4.176218789e-01 4.30 -3.980540539e-01 -3.980540539e-01 4.32 -3.794279462e-01 -3.794279462e-01 4.34 -3.617163162e-01 -3.617163162e-01 4.36 -3.448933692e-01 -3.448933692e-01 4.38 -3.289323927e-01 -3.289323927e-01 4.40 -3.138039262e-01 -3.138039262e-01 4.42 -2.994746055e-01 -2.994746055e-01 4.44 -2.859067090e-01 -2.859067090e-01 4.46 -2.730583310e-01 -2.730583310e-01 4.48 -2.608840353e-01 -2.608840353e-01 4.50 -2.493358136e-01 -2.493358136e-01 4.52 -2.383641743e-01 -2.383641743e-01 4.54 -2.279192228e-01 -2.279192228e-01 4.56 -2.179516344e-01 -2.179516344e-01 4.58 -2.084134650e-01 -2.084134650e-01 4.60 -1.992587861e-01 -1.992587861e-01 4.62 -1.904441559e-01 -1.904441559e-01 4.64 -1.819289571e-01 -1.819289571e-01 4.66 -1.736756413e-01 -1.736756413e-01 4.68 -1.656499207e-01 -1.656499207e-01 4.70 -1.578209442e-01 -1.578209442e-01 4.72 -1.501614878e-01 -1.501614878e-01 4.74 -1.426481786e-01 -1.426481786e-01 4.76 -1.352617613e-01 -1.352617613e-01 4.78 -1.279874011e-01 -1.279874011e-01 4.80 -1.208150033e-01 -1.208150033e-01 4.82 -1.137395199e-01 -1.137395199e-01 4.84 -1.067611813e-01 -1.067611813e-01 4.86 -9.988561809e-02 -9.988561809e-02 4.88 -9.312379275e-02 -9.312379275e-02 4.90 -8.649169258e-02 -8.649169258e-02 4.92 -8.000974169e-02 -8.000974169e-02 4.94 -7.370191657e-02 -7.370191657e-02 4.96 -6.759450238e-02 -6.759450238e-02 4.98 -6.171466722e-02 -6.171466722e-02 5.00 -5.608944359e-02 -5.608944359e-02 5.02 -5.074388409e-02 -5.074388409e-02 5.04 -4.569966042e-02 -4.569966042e-02 5.06 -4.097394014e-02 -4.097394014e-02 5.08 -3.657860175e-02 -3.657860175e-02 5.10 -3.251982647e-02 -3.251982647e-02 5.12 -2.879807487e-02 -2.879807487e-02 5.14 -2.540839793e-02 -2.540839793e-02 5.16 -2.234102104e-02 -2.234102104e-02 5.18 -1.958211950e-02 -1.958211950e-02 5.20 -1.711466876e-02 -1.711466876e-02 5.22 -1.491906216e-02 -1.491906216e-02 5.24 -1.297474432e-02 -1.297474432e-02 5.26 -1.126056648e-02 -1.126056648e-02 5.28 -9.755279518e-03 -9.755279518e-03 5.30 -8.438092027e-03 -8.438092027e-03 5.32 -7.289091791e-03 -7.289091791e-03 5.34 -6.289542239e-03 -6.289542239e-03 5.36 -5.422070781e-03 -5.422070781e-03 5.38 -4.670768020e-03 -4.670768020e-03 5.40 -4.021216744e-03 -4.021216744e-03 5.42 -3.460468182e-03 -3.460468182e-03 5.44 -2.976980705e-03 -2.976980705e-03 5.46 -2.560533618e-03 -2.560533618e-03 5.48 -2.202126120e-03 -2.202126120e-03 5.50 -1.893869209e-03 -1.893869209e-03 5.52 -1.628876238e-03 -1.628876238e-03 5.54 -1.401156183e-03 -1.401156183e-03 5.56 -1.205512329e-03 -1.205512329e-03 5.58 -1.037448030e-03 -1.037448030e-03 5.60 -8.930804216e-04 -8.930804216e-04 5.62 -7.690624140e-04 -7.690624140e-04 5.64 -6.625128627e-04 -6.625128627e-04 5.66 -5.709545899e-04 -5.709545899e-04 5.68 -4.922597374e-04 -4.922597374e-04 5.70 -4.246018586e-04 -4.246018586e-04 5.72 -3.664141120e-04 -3.664141120e-04 5.74 -3.163529232e-04 -3.163529232e-04 5.76 -2.732664999e-04 -2.732664999e-04 5.78 -2.361676276e-04 -2.361676276e-04 5.80 -2.042102155e-04 -2.042102155e-04 5.82 -1.766691135e-04 -1.766691135e-04 5.84 -1.529227701e-04 -1.529227701e-04 5.86 -1.324383502e-04 -1.324383502e-04 5.88 -1.147589765e-04 -1.147589765e-04 5.90 -9.949280003e-05 -9.949280003e-05 5.92 -8.630364306e-05 -8.630364306e-05 5.94 -7.490299229e-05 -7.490299229e-05 5.96 -6.504314912e-05 -6.504314912e-05 5.98 -5.651137138e-05 -5.651137138e-05 6.00 -4.912486325e-05 -4.912486325e-05