# 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 = AuPdZr2 # 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 4.254726805e+02 4.254726805e+02 1.30 3.965852117e+02 3.965852117e+02 1.32 3.697483828e+02 3.697483828e+02 1.34 3.447993805e+02 3.447993805e+02 1.36 3.215894456e+02 3.215894456e+02 1.38 2.999837359e+02 2.999837359e+02 1.40 2.798601209e+02 2.798601209e+02 1.42 2.611078325e+02 2.611078325e+02 1.44 2.436263719e+02 2.436263719e+02 1.46 2.273236856e+02 2.273236856e+02 1.48 2.121140623e+02 2.121140623e+02 1.50 1.979174817e+02 1.979174817e+02 1.52 1.846603891e+02 1.846603891e+02 1.54 1.722759631e+02 1.722759631e+02 1.56 1.607032885e+02 1.607032885e+02 1.58 1.498857006e+02 1.498857006e+02 1.60 1.397697112e+02 1.397697112e+02 1.62 1.303048578e+02 1.303048578e+02 1.64 1.214443061e+02 1.214443061e+02 1.66 1.131452330e+02 1.131452330e+02 1.68 1.053688055e+02 1.053688055e+02 1.70 9.807969739e+01 9.807969739e+01 1.72 9.124537187e+01 9.124537187e+01 1.74 8.483545535e+01 8.483545535e+01 1.76 7.882146902e+01 7.882146902e+01 1.78 7.317686226e+01 7.317686226e+01 1.80 6.787716585e+01 6.787716585e+01 1.82 6.289996480e+01 6.289996480e+01 1.84 5.822488992e+01 5.822488992e+01 1.86 5.383346162e+01 5.383346162e+01 1.88 4.970870604e+01 4.970870604e+01 1.90 4.583464257e+01 4.583464257e+01 1.92 4.219595247e+01 4.219595247e+01 1.94 3.877844688e+01 3.877844688e+01 1.96 3.556852379e+01 3.556852379e+01 1.98 3.255688400e+01 3.255688400e+01 2.00 2.974567063e+01 2.974567063e+01 2.02 2.712579728e+01 2.712579728e+01 2.04 2.468449663e+01 2.468449663e+01 2.06 2.240999656e+01 2.240999656e+01 2.08 2.029142256e+01 2.029142256e+01 2.10 1.831873210e+01 1.831873210e+01 2.12 1.648257517e+01 1.648257517e+01 2.14 1.477418296e+01 1.477418296e+01 2.16 1.318524801e+01 1.318524801e+01 2.18 1.170784921e+01 1.170784921e+01 2.20 1.033445521e+01 1.033445521e+01 2.22 9.057943995e+00 9.057943995e+00 2.24 7.871643494e+00 7.871643494e+00 2.26 6.769367556e+00 6.769367556e+00 2.28 5.745423520e+00 5.745423520e+00 2.30 4.794630131e+00 4.794630131e+00 2.32 3.912287626e+00 3.912287626e+00 2.34 3.094101188e+00 3.094101188e+00 2.36 2.336127782e+00 2.336127782e+00 2.38 1.634697048e+00 1.634697048e+00 2.40 9.863471000e-01 9.863471000e-01 2.42 3.877682837e-01 3.877682837e-01 2.44 -1.642201660e-01 -1.642201660e-01 2.46 -6.726866764e-01 -6.726866764e-01 2.48 -1.140576184e+00 -1.140576184e+00 2.50 -1.570689633e+00 -1.570689633e+00 2.52 -1.965664315e+00 -1.965664315e+00 2.54 -2.327963786e+00 -2.327963786e+00 2.56 -2.659878643e+00 -2.659878643e+00 2.58 -2.963533748e+00 -2.963533748e+00 2.60 -3.240897007e+00 -3.240897007e+00 2.62 -3.493787267e+00 -3.493787267e+00 2.64 -3.723882682e+00 -3.723882682e+00 2.66 -3.932728536e+00 -3.932728536e+00 2.68 -4.121748278e+00 -4.121748278e+00 2.70 -4.292255840e+00 -4.292255840e+00 2.72 -4.445487108e+00 -4.445487108e+00 2.74 -4.582686865e+00 -4.582686865e+00 2.76 -4.704817548e+00 -4.704817548e+00 2.78 -4.812756201e+00 -4.812756201e+00 2.80 -4.907352068e+00 -4.907352068e+00 2.82 -4.989406800e+00 -4.989406800e+00 2.84 -5.059688199e+00 -5.059688199e+00 2.86 -5.118929565e+00 -5.118929565e+00 2.88 -5.167833957e+00 -5.167833957e+00 2.90 -5.206994169e+00 -5.206994169e+00 2.92 -5.236788408e+00 -5.236788408e+00 2.94 -5.257599389e+00 -5.257599389e+00 2.96 -5.269842602e+00 -5.269842602e+00 2.98 -5.273954229e+00 -5.273954229e+00 3.00 -5.270380480e+00 -5.270380480e+00 3.02 -5.259569109e+00 -5.259569109e+00 3.04 -5.241959530e+00 -5.241959530e+00 3.06 -5.217996119e+00 -5.217996119e+00 3.08 -5.188100190e+00 -5.188100190e+00 3.10 -5.152696130e+00 -5.152696130e+00 3.12 -5.112409904e+00 -5.112409904e+00 3.14 -5.067673498e+00 -5.067673498e+00 3.16 -5.018826743e+00 -5.018826743e+00 3.18 -4.966130956e+00 -4.966130956e+00 3.20 -4.909845929e+00 -4.909845929e+00 3.22 -4.850243835e+00 -4.850243835e+00 3.24 -4.787605840e+00 -4.787605840e+00 3.26 -4.722220647e+00 -4.722220647e+00 3.28 -4.654384132e+00 -4.654384132e+00 3.30 -4.584401774e+00 -4.584401774e+00 3.32 -4.512604561e+00 -4.512604561e+00 3.34 -4.439323456e+00 -4.439323456e+00 3.36 -4.364866436e+00 -4.364866436e+00 3.38 -4.289514367e+00 -4.289514367e+00 3.40 -4.213513896e+00 -4.213513896e+00 3.42 -4.137081690e+00 -4.137081690e+00 3.44 -4.060394392e+00 -4.060394392e+00 3.46 -3.983600379e+00 -3.983600379e+00 3.48 -3.906822952e+00 -3.906822952e+00 3.50 -3.830165702e+00 -3.830165702e+00 3.52 -3.753717046e+00 -3.753717046e+00 3.54 -3.677553538e+00 -3.677553538e+00 3.56 -3.601741973e+00 -3.601741973e+00 3.58 -3.526340521e+00 -3.526340521e+00 3.60 -3.451399219e+00 -3.451399219e+00 3.62 -3.376960162e+00 -3.376960162e+00 3.64 -3.303057676e+00 -3.303057676e+00 3.66 -3.229718735e+00 -3.229718735e+00 3.68 -3.156963809e+00 -3.156963809e+00 3.70 -3.084808285e+00 -3.084808285e+00 3.72 -3.013264545e+00 -3.013264545e+00 3.74 -2.942344672e+00 -2.942344672e+00 3.76 -2.872063660e+00 -2.872063660e+00 3.78 -2.802442817e+00 -2.802442817e+00 3.80 -2.733512930e+00 -2.733512930e+00 3.82 -2.665316587e+00 -2.665316587e+00 3.84 -2.597909068e+00 -2.597909068e+00 3.86 -2.531357323e+00 -2.531357323e+00 3.88 -2.465736871e+00 -2.465736871e+00 3.90 -2.401126918e+00 -2.401126918e+00 3.92 -2.337601051e+00 -2.337601051e+00 3.94 -2.275235577e+00 -2.275235577e+00 3.96 -2.214082276e+00 -2.214082276e+00 3.98 -2.154181400e+00 -2.154181400e+00 4.00 -2.095556805e+00 -2.095556805e+00 4.02 -2.038217327e+00 -2.038217327e+00 4.04 -1.982159585e+00 -1.982159585e+00 4.06 -1.927371486e+00 -1.927371486e+00 4.08 -1.873835722e+00 -1.873835722e+00 4.10 -1.821525721e+00 -1.821525721e+00 4.12 -1.770437330e+00 -1.770437330e+00 4.14 -1.720543659e+00 -1.720543659e+00 4.16 -1.671828354e+00 -1.671828354e+00 4.18 -1.624276858e+00 -1.624276858e+00 4.20 -1.577875969e+00 -1.577875969e+00 4.22 -1.532613226e+00 -1.532613226e+00 4.24 -1.488476248e+00 -1.488476248e+00 4.26 -1.445452143e+00 -1.445452143e+00 4.28 -1.403527021e+00 -1.403527021e+00 4.30 -1.362685611e+00 -1.362685611e+00 4.32 -1.322910956e+00 -1.322910956e+00 4.34 -1.284184175e+00 -1.284184175e+00 4.36 -1.246484277e+00 -1.246484277e+00 4.38 -1.209788034e+00 -1.209788034e+00 4.40 -1.174069946e+00 -1.174069946e+00 4.42 -1.139302302e+00 -1.139302302e+00 4.44 -1.105455374e+00 -1.105455374e+00 4.46 -1.072497737e+00 -1.072497737e+00 4.48 -1.040396703e+00 -1.040396703e+00 4.50 -1.009118861e+00 -1.009118861e+00 4.52 -9.786306802e-01 -9.786306802e-01 4.54 -9.488991602e-01 -9.488991602e-01 4.56 -9.198924887e-01 -9.198924887e-01 4.58 -8.915806906e-01 -8.915806906e-01 4.60 -8.639362391e-01 -8.639362391e-01 4.62 -8.369346058e-01 -8.369346058e-01 4.64 -8.105547238e-01 -8.105547238e-01 4.66 -7.847793336e-01 -7.847793336e-01 4.68 -7.595951833e-01 -7.595951833e-01 4.70 -7.349930539e-01 -7.349930539e-01 4.72 -7.109675919e-01 -7.109675919e-01 4.74 -6.875169430e-01 -6.875169430e-01 4.76 -6.646422011e-01 -6.646422011e-01 4.78 -6.423467071e-01 -6.423467071e-01 4.80 -6.206291376e-01 -6.206291376e-01 4.82 -5.995081750e-01 -5.995081750e-01 4.84 -5.789817545e-01 -5.789817545e-01 4.86 -5.590543297e-01 -5.590543297e-01 4.88 -5.397289683e-01 -5.397289683e-01 4.90 -5.210069696e-01 -5.210069696e-01 4.92 -5.028876308e-01 -5.028876308e-01 4.94 -4.853681299e-01 -4.853681299e-01 4.96 -4.684434899e-01 -4.684434899e-01 4.98 -4.521065820e-01 -4.521065820e-01 5.00 -4.363481422e-01 -4.363481422e-01 5.02 -4.211567852e-01 -4.211567852e-01 5.04 -4.065190189e-01 -4.065190189e-01 5.06 -3.924192741e-01 -3.924192741e-01 5.08 -3.788399693e-01 -3.788399693e-01 5.10 -3.657616321e-01 -3.657616321e-01 5.12 -3.531630931e-01 -3.531630931e-01 5.14 -3.410217561e-01 -3.410217561e-01 5.16 -3.293139441e-01 -3.293139441e-01 5.18 -3.180153082e-01 -3.180153082e-01 5.20 -3.071012835e-01 -3.071012835e-01 5.22 -2.965475726e-01 -2.965475726e-01 5.24 -2.863306394e-01 -2.863306394e-01 5.26 -2.764281943e-01 -2.764281943e-01 5.28 -2.668196566e-01 -2.668196566e-01 5.30 -2.574865787e-01 -2.574865787e-01 5.32 -2.484130151e-01 -2.484130151e-01 5.34 -2.395858223e-01 -2.395858223e-01 5.36 -2.309948660e-01 -2.309948660e-01 5.38 -2.226331183e-01 -2.226331183e-01 5.40 -2.144966226e-01 -2.144966226e-01 5.42 -2.065843112e-01 -2.065843112e-01 5.44 -1.988976678e-01 -1.988976678e-01 5.46 -1.914402399e-01 -1.914402399e-01 5.48 -1.842170239e-01 -1.842170239e-01 5.50 -1.772337561e-01 -1.772337561e-01 5.52 -1.704961672e-01 -1.704961672e-01 5.54 -1.640092543e-01 -1.640092543e-01 5.56 -1.577766334e-01 -1.577766334e-01 5.58 -1.518000216e-01 -1.518000216e-01 5.60 -1.460787746e-01 -1.460787746e-01 5.62 -1.406096508e-01 -1.406096508e-01 5.64 -1.353874982e-01 -1.353874982e-01 5.66 -1.304048705e-01 -1.304048705e-01 5.68 -1.256522730e-01 -1.256522730e-01 5.70 -1.211185367e-01 -1.211185367e-01 5.72 -1.167912247e-01 -1.167912247e-01 5.74 -1.126570370e-01 -1.126570370e-01 5.76 -1.087021844e-01 -1.087021844e-01 5.78 -1.049127135e-01 -1.049127135e-01 5.80 -1.012747759e-01 -1.012747759e-01 5.82 -9.777483666e-02 -9.777483666e-02 5.84 -9.439982829e-02 -9.439982829e-02 5.86 -9.113725661e-02 -9.113725661e-02 5.88 -8.797526752e-02 -8.797526752e-02 5.90 -8.490268468e-02 -8.490268468e-02 5.92 -8.190902778e-02 -8.190902778e-02 5.94 -7.898451979e-02 -7.898451979e-02 5.96 -7.612009098e-02 -7.612009098e-02 5.98 -7.330738601e-02 -7.330738601e-02 6.00 -7.053877892e-02 -7.053877892e-02