# 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 = Ag2PdZr # 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 3.341346177e+02 3.341346177e+02 1.30 3.103787493e+02 3.103787493e+02 1.32 2.883519618e+02 2.883519618e+02 1.34 2.679189947e+02 2.679189947e+02 1.36 2.489557187e+02 2.489557187e+02 1.38 2.313470859e+02 2.313470859e+02 1.40 2.149863159e+02 2.149863159e+02 1.42 1.997752980e+02 1.997752980e+02 1.44 1.856250520e+02 1.856250520e+02 1.46 1.724556110e+02 1.724556110e+02 1.48 1.601952274e+02 1.601952274e+02 1.50 1.487790466e+02 1.487790466e+02 1.52 1.381474941e+02 1.381474941e+02 1.54 1.282449432e+02 1.282449432e+02 1.56 1.190188905e+02 1.190188905e+02 1.58 1.104198108e+02 1.104198108e+02 1.60 1.024014280e+02 1.024014280e+02 1.62 9.492108631e+01 9.492108631e+01 1.64 8.793991750e+01 8.793991750e+01 1.66 8.142269041e+01 8.142269041e+01 1.68 7.533737106e+01 7.533737106e+01 1.70 6.965448958e+01 6.965448958e+01 1.72 6.434657978e+01 6.434657978e+01 1.74 5.938782445e+01 5.938782445e+01 1.76 5.475421572e+01 5.475421572e+01 1.78 5.042354371e+01 5.042354371e+01 1.80 4.637582757e+01 4.637582757e+01 1.82 4.260373081e+01 4.260373081e+01 1.84 3.909365076e+01 3.909365076e+01 1.86 3.582784766e+01 3.582784766e+01 1.88 3.278943495e+01 3.278943495e+01 1.90 2.996274206e+01 2.996274206e+01 1.92 2.733328886e+01 2.733328886e+01 1.94 2.488778447e+01 2.488778447e+01 1.96 2.261403449e+01 2.261403449e+01 1.98 2.050082109e+01 2.050082109e+01 2.00 1.853776345e+01 1.853776345e+01 2.02 1.671516729e+01 1.671516729e+01 2.04 1.502389064e+01 1.502389064e+01 2.06 1.345524340e+01 1.345524340e+01 2.08 1.200093617e+01 1.200093617e+01 2.10 1.065306159e+01 1.065306159e+01 2.12 9.404125144e+00 9.404125144e+00 2.14 8.247080826e+00 8.247080826e+00 2.16 7.175372830e+00 7.175372830e+00 2.18 6.182948927e+00 6.182948927e+00 2.20 5.264253055e+00 5.264253055e+00 2.22 4.414183359e+00 4.414183359e+00 2.24 3.628050592e+00 3.628050592e+00 2.26 2.901543052e+00 2.901543052e+00 2.28 2.230700462e+00 2.230700462e+00 2.30 1.611893188e+00 1.611893188e+00 2.32 1.041781336e+00 1.041781336e+00 2.34 5.172885480e-01 5.172885480e-01 2.36 3.554514728e-02 3.554514728e-02 2.38 -4.061519153e-01 -4.061519153e-01 2.40 -8.103738376e-01 -8.103738376e-01 2.42 -1.179589635e+00 -1.179589635e+00 2.44 -1.516179781e+00 -1.516179781e+00 2.46 -1.822449882e+00 -1.822449882e+00 2.48 -2.100635043e+00 -2.100635043e+00 2.50 -2.352945650e+00 -2.352945650e+00 2.52 -2.581367604e+00 -2.581367604e+00 2.54 -2.787734583e+00 -2.787734583e+00 2.56 -2.973750883e+00 -2.973750883e+00 2.58 -3.140981546e+00 -3.140981546e+00 2.60 -3.290856277e+00 -3.290856277e+00 2.62 -3.424680488e+00 -3.424680488e+00 2.64 -3.543631738e+00 -3.543631738e+00 2.66 -3.648640087e+00 -3.648640087e+00 2.68 -3.740535324e+00 -3.740535324e+00 2.70 -3.820111782e+00 -3.820111782e+00 2.72 -3.888126138e+00 -3.888126138e+00 2.74 -3.945297266e+00 -3.945297266e+00 2.76 -3.992307913e+00 -3.992307913e+00 2.78 -4.029805196e+00 -4.029805196e+00 2.80 -4.058411288e+00 -4.058411288e+00 2.82 -4.078943678e+00 -4.078943678e+00 2.84 -4.092047661e+00 -4.092047661e+00 2.86 -4.098115557e+00 -4.098115557e+00 2.88 -4.097550740e+00 -4.097550740e+00 2.90 -4.090766708e+00 -4.090766708e+00 2.92 -4.078185261e+00 -4.078185261e+00 2.94 -4.060233041e+00 -4.060233041e+00 2.96 -4.037336499e+00 -4.037336499e+00 2.98 -4.009919134e+00 -4.009919134e+00 3.00 -3.978421819e+00 -3.978421819e+00 3.02 -3.943279091e+00 -3.943279091e+00 3.04 -3.904893745e+00 -3.904893745e+00 3.06 -3.863646569e+00 -3.863646569e+00 3.08 -3.819880690e+00 -3.819880690e+00 3.10 -3.773930093e+00 -3.773930093e+00 3.12 -3.726240576e+00 -3.726240576e+00 3.14 -3.676988959e+00 -3.676988959e+00 3.16 -3.626271017e+00 -3.626271017e+00 3.18 -3.574188148e+00 -3.574188148e+00 3.20 -3.520843177e+00 -3.520843177e+00 3.22 -3.466339871e+00 -3.466339871e+00 3.24 -3.410783931e+00 -3.410783931e+00 3.26 -3.354285123e+00 -3.354285123e+00 3.28 -3.296959785e+00 -3.296959785e+00 3.30 -3.238937187e+00 -3.238937187e+00 3.32 -3.180361598e+00 -3.180361598e+00 3.34 -3.121379991e+00 -3.121379991e+00 3.36 -3.062136767e+00 -3.062136767e+00 3.38 -3.002768900e+00 -3.002768900e+00 3.40 -2.943400840e+00 -2.943400840e+00 3.42 -2.884146656e+00 -2.884146656e+00 3.44 -2.825102426e+00 -2.825102426e+00 3.46 -2.766352255e+00 -2.766352255e+00 3.48 -2.707968577e+00 -2.707968577e+00 3.50 -2.650013899e+00 -2.650013899e+00 3.52 -2.592542208e+00 -2.592542208e+00 3.54 -2.535599881e+00 -2.535599881e+00 3.56 -2.479226132e+00 -2.479226132e+00 3.58 -2.423453130e+00 -2.423453130e+00 3.60 -2.368305953e+00 -2.368305953e+00 3.62 -2.313802533e+00 -2.313802533e+00 3.64 -2.259953738e+00 -2.259953738e+00 3.66 -2.206763708e+00 -2.206763708e+00 3.68 -2.154230524e+00 -2.154230524e+00 3.70 -2.102347291e+00 -2.102347291e+00 3.72 -2.051103648e+00 -2.051103648e+00 3.74 -2.000487698e+00 -2.000487698e+00 3.76 -1.950488257e+00 -1.950488257e+00 3.78 -1.901097229e+00 -1.901097229e+00 3.80 -1.852311855e+00 -1.852311855e+00 3.82 -1.804136468e+00 -1.804136468e+00 3.84 -1.756583419e+00 -1.756583419e+00 3.86 -1.709672892e+00 -1.709672892e+00 3.88 -1.663431520e+00 -1.663431520e+00 3.90 -1.617889973e+00 -1.617889973e+00 3.92 -1.573078602e+00 -1.573078602e+00 3.94 -1.529030069e+00 -1.529030069e+00 3.96 -1.485767981e+00 -1.485767981e+00 3.98 -1.443311792e+00 -1.443311792e+00 4.00 -1.401674879e+00 -1.401674879e+00 4.02 -1.360865333e+00 -1.360865333e+00 4.04 -1.320887429e+00 -1.320887429e+00 4.06 -1.281743351e+00 -1.281743351e+00 4.08 -1.243434758e+00 -1.243434758e+00 4.10 -1.205960053e+00 -1.205960053e+00 4.12 -1.169331120e+00 -1.169331120e+00 4.14 -1.133547801e+00 -1.133547801e+00 4.16 -1.098615387e+00 -1.098615387e+00 4.18 -1.064539116e+00 -1.064539116e+00 4.20 -1.031323374e+00 -1.031323374e+00 4.22 -9.989709935e-01 -9.989709935e-01 4.24 -9.674827710e-01 -9.674827710e-01 4.26 -9.368572091e-01 -9.368572091e-01 4.28 -9.070904580e-01 -9.070904580e-01 4.30 -8.781763579e-01 -8.781763579e-01 4.32 -8.501064874e-01 -8.501064874e-01 4.34 -8.228701400e-01 -8.228701400e-01 4.36 -7.964542002e-01 -7.964542002e-01 4.38 -7.708429385e-01 -7.708429385e-01 4.40 -7.460177857e-01 -7.460177857e-01 4.42 -7.219571668e-01 -7.219571668e-01 4.44 -6.986364685e-01 -6.986364685e-01 4.46 -6.760281941e-01 -6.760281941e-01 4.48 -6.541023230e-01 -6.541023230e-01 4.50 -6.328268601e-01 -6.328268601e-01 4.52 -6.121685356e-01 -6.121685356e-01 4.54 -5.920936005e-01 -5.920936005e-01 4.56 -5.725686614e-01 -5.725686614e-01 4.58 -5.535615010e-01 -5.535615010e-01 4.60 -5.350418429e-01 -5.350418429e-01 4.62 -5.169820240e-01 -5.169820240e-01 4.64 -4.993575493e-01 -4.993575493e-01 4.66 -4.821475059e-01 -4.821475059e-01 4.68 -4.653348210e-01 -4.653348210e-01 4.70 -4.489063500e-01 -4.489063500e-01 4.72 -4.328527921e-01 -4.328527921e-01 4.74 -4.171684392e-01 -4.171684392e-01 4.76 -4.018507802e-01 -4.018507802e-01 4.78 -3.868999950e-01 -3.868999950e-01 4.80 -3.723152537e-01 -3.723152537e-01 4.82 -3.581071987e-01 -3.581071987e-01 4.84 -3.442769338e-01 -3.442769338e-01 4.86 -3.308298961e-01 -3.308298961e-01 4.88 -3.177717356e-01 -3.177717356e-01 4.90 -3.051080710e-01 -3.051080710e-01 4.92 -2.928443242e-01 -2.928443242e-01 4.94 -2.809855921e-01 -2.809855921e-01 4.96 -2.695365131e-01 -2.695365131e-01 4.98 -2.585010890e-01 -2.585010890e-01 5.00 -2.478824408e-01 -2.478824408e-01 5.02 -2.376824967e-01 -2.376824967e-01 5.04 -2.279016341e-01 -2.279016341e-01 5.06 -2.185383128e-01 -2.185383128e-01 5.08 -2.095887478e-01 -2.095887478e-01 5.10 -2.010466682e-01 -2.010466682e-01 5.12 -1.929031976e-01 -1.929031976e-01 5.14 -1.851468803e-01 -1.851468803e-01 5.16 -1.777638546e-01 -1.777638546e-01 5.18 -1.707381581e-01 -1.707381581e-01 5.20 -1.640520571e-01 -1.640520571e-01 5.22 -1.576865654e-01 -1.576865654e-01 5.24 -1.516222821e-01 -1.516222821e-01 5.26 -1.458395936e-01 -1.458395936e-01 5.28 -1.403191680e-01 -1.403191680e-01 5.30 -1.350424137e-01 -1.350424137e-01 5.32 -1.299918679e-01 -1.299918679e-01 5.34 -1.251515052e-01 -1.251515052e-01 5.36 -1.205069617e-01 -1.205069617e-01 5.38 -1.160456702e-01 -1.160456702e-01 5.40 -1.117569040e-01 -1.117569040e-01 5.42 -1.076317358e-01 -1.076317358e-01 5.44 -1.036629125e-01 -1.036629125e-01 5.46 -9.984465663e-02 -9.984465663e-02 5.48 -9.617240541e-02 -9.617240541e-02 5.50 -9.264251205e-02 -9.264251205e-02 5.52 -8.925192191e-02 -8.925192191e-02 5.54 -8.599785444e-02 -8.599785444e-02 5.56 -8.287751568e-02 -8.287751568e-02 5.58 -7.988785976e-02 -7.988785976e-02 5.60 -7.702539986e-02 -7.702539986e-02 5.62 -7.428604964e-02 -7.428604964e-02 5.64 -7.166526652e-02 -7.166526652e-02 5.66 -6.915795894e-02 -6.915795894e-02 5.68 -6.675853010e-02 -6.675853010e-02 5.70 -6.446097973e-02 -6.446097973e-02 5.72 -6.225902167e-02 -6.225902167e-02 5.74 -6.014620378e-02 -6.014620378e-02 5.76 -5.811602030e-02 -5.811602030e-02 5.78 -5.616200991e-02 -5.616200991e-02 5.80 -5.427783591e-02 -5.427783591e-02 5.82 -5.245734781e-02 -5.245734781e-02 5.84 -5.069462549e-02 -5.069462549e-02 5.86 -4.898400837e-02 -4.898400837e-02 5.88 -4.732011295e-02 -4.732011295e-02 5.90 -4.569784213e-02 -4.569784213e-02 5.92 -4.411238992e-02 -4.411238992e-02 5.94 -4.255924457e-02 -4.255924457e-02 5.96 -4.103419315e-02 -4.103419315e-02 5.98 -3.953332980e-02 -3.953332980e-02 6.00 -3.805306968e-02 -3.805306968e-02