# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuPd2 # 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 2022-05-24 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 7.274086718e+02 7.274086718e+02 1.00 6.641861244e+02 6.641861244e+02 1.02 6.071238519e+02 6.071238519e+02 1.04 5.555626307e+02 5.555626307e+02 1.06 5.089202841e+02 5.089202841e+02 1.08 4.666747601e+02 4.666747601e+02 1.10 4.283672483e+02 4.283672483e+02 1.12 3.935883526e+02 3.935883526e+02 1.14 3.619735832e+02 3.619735832e+02 1.16 3.331973166e+02 3.331973166e+02 1.18 3.069729138e+02 3.069729138e+02 1.20 2.830448985e+02 2.830448985e+02 1.22 2.611835243e+02 2.611835243e+02 1.24 2.411855795e+02 2.411855795e+02 1.26 2.228687142e+02 2.228687142e+02 1.28 2.060710926e+02 2.060710926e+02 1.30 1.906469663e+02 1.906469663e+02 1.32 1.764672351e+02 1.764672351e+02 1.34 1.634157419e+02 1.634157419e+02 1.36 1.513883133e+02 1.513883133e+02 1.38 1.402915193e+02 1.402915193e+02 1.40 1.300431529e+02 1.300431529e+02 1.42 1.205678489e+02 1.205678489e+02 1.44 1.117991416e+02 1.117991416e+02 1.46 1.036761036e+02 1.036761036e+02 1.48 9.614389405e+01 9.614389405e+01 1.50 8.915354281e+01 8.915354281e+01 1.52 8.266051376e+01 8.266051376e+01 1.54 7.662425659e+01 7.662425659e+01 1.56 7.100851577e+01 7.100851577e+01 1.58 6.578022836e+01 6.578022836e+01 1.60 6.090999571e+01 6.090999571e+01 1.62 5.637025434e+01 5.637025434e+01 1.64 5.213637893e+01 5.213637893e+01 1.66 4.818576248e+01 4.818576248e+01 1.68 4.449762978e+01 4.449762978e+01 1.70 4.105297407e+01 4.105297407e+01 1.72 3.783439245e+01 3.783439245e+01 1.74 3.482588669e+01 3.482588669e+01 1.76 3.201218019e+01 3.201218019e+01 1.78 2.937947718e+01 2.937947718e+01 1.80 2.691743297e+01 2.691743297e+01 1.82 2.461220017e+01 2.461220017e+01 1.84 2.244303091e+01 2.244303091e+01 1.86 2.042130679e+01 2.042130679e+01 1.88 1.852567089e+01 1.852567089e+01 1.90 1.674954570e+01 1.674954570e+01 1.92 1.508689151e+01 1.508689151e+01 1.94 1.353204958e+01 1.353204958e+01 1.96 1.207920802e+01 1.207920802e+01 1.98 1.072304857e+01 1.072304857e+01 2.00 9.458498199e+00 9.458498199e+00 2.02 8.280750351e+00 8.280750351e+00 2.04 7.185173589e+00 7.185173589e+00 2.06 6.167235804e+00 6.167235804e+00 2.08 5.222585964e+00 5.222585964e+00 2.10 4.347267979e+00 4.347267979e+00 2.12 3.537115831e+00 3.537115831e+00 2.14 2.788517593e+00 2.788517593e+00 2.16 2.097766402e+00 2.097766402e+00 2.18 1.461598090e+00 1.461598090e+00 2.20 8.768370610e-01 8.768370610e-01 2.22 3.409986145e-01 3.409986145e-01 2.24 -1.495779681e-01 -1.495779681e-01 2.26 -5.977389863e-01 -5.977389863e-01 2.28 -1.006151943e+00 -1.006151943e+00 2.30 -1.377381444e+00 -1.377381444e+00 2.32 -1.713860433e+00 -1.713860433e+00 2.34 -2.017729809e+00 -2.017729809e+00 2.36 -2.290870838e+00 -2.290870838e+00 2.38 -2.535410535e+00 -2.535410535e+00 2.40 -2.753524246e+00 -2.753524246e+00 2.42 -2.947070911e+00 -2.947070911e+00 2.44 -3.117606168e+00 -3.117606168e+00 2.46 -3.266713409e+00 -3.266713409e+00 2.48 -3.396179676e+00 -3.396179676e+00 2.50 -3.507569418e+00 -3.507569418e+00 2.52 -3.602067310e+00 -3.602067310e+00 2.54 -3.680946827e+00 -3.680946827e+00 2.56 -3.745401002e+00 -3.745401002e+00 2.58 -3.796532100e+00 -3.796532100e+00 2.60 -3.836049246e+00 -3.836049246e+00 2.62 -3.864482813e+00 -3.864482813e+00 2.64 -3.882289205e+00 -3.882289205e+00 2.66 -3.890563175e+00 -3.890563175e+00 2.68 -3.890331588e+00 -3.890331588e+00 2.70 -3.882178899e+00 -3.882178899e+00 2.72 -3.866810342e+00 -3.866810342e+00 2.74 -3.844885925e+00 -3.844885925e+00 2.76 -3.817015923e+00 -3.817015923e+00 2.78 -3.784345036e+00 -3.784345036e+00 2.80 -3.747101734e+00 -3.747101734e+00 2.82 -3.704841220e+00 -3.704841220e+00 2.84 -3.658724532e+00 -3.658724532e+00 2.86 -3.609175857e+00 -3.609175857e+00 2.88 -3.556595084e+00 -3.556595084e+00 2.90 -3.501375510e+00 -3.501375510e+00 2.92 -3.444083535e+00 -3.444083535e+00 2.94 -3.384773133e+00 -3.384773133e+00 2.96 -3.323740626e+00 -3.323740626e+00 2.98 -3.261264504e+00 -3.261264504e+00 3.00 -3.197550120e+00 -3.197550120e+00 3.02 -3.132764138e+00 -3.132764138e+00 3.04 -3.066343241e+00 -3.066343241e+00 3.06 -2.999189713e+00 -2.999189713e+00 3.08 -2.931740517e+00 -2.931740517e+00 3.10 -2.864159128e+00 -2.864159128e+00 3.12 -2.796595426e+00 -2.796595426e+00 3.14 -2.729185295e+00 -2.729185295e+00 3.16 -2.662052158e+00 -2.662052158e+00 3.18 -2.595307838e+00 -2.595307838e+00 3.20 -2.529053360e+00 -2.529053360e+00 3.22 -2.463379737e+00 -2.463379737e+00 3.24 -2.398357376e+00 -2.398357376e+00 3.26 -2.334647888e+00 -2.334647888e+00 3.28 -2.271903016e+00 -2.271903016e+00 3.30 -2.209976794e+00 -2.209976794e+00 3.32 -2.148921072e+00 -2.148921072e+00 3.34 -2.088782128e+00 -2.088782128e+00 3.36 -2.029598455e+00 -2.029598455e+00 3.38 -1.971413651e+00 -1.971413651e+00 3.40 -1.914263791e+00 -1.914263791e+00 3.42 -1.858301869e+00 -1.858301869e+00 3.44 -1.803352186e+00 -1.803352186e+00 3.46 -1.749380095e+00 -1.749380095e+00 3.48 -1.696402679e+00 -1.696402679e+00 3.50 -1.644511709e+00 -1.644511709e+00 3.52 -1.593754670e+00 -1.593754670e+00 3.54 -1.544120301e+00 -1.544120301e+00 3.56 -1.495603008e+00 -1.495603008e+00 3.58 -1.448209122e+00 -1.448209122e+00 3.60 -1.401922952e+00 -1.401922952e+00 3.62 -1.356737561e+00 -1.356737561e+00 3.64 -1.312658487e+00 -1.312658487e+00 3.66 -1.269641940e+00 -1.269641940e+00 3.68 -1.227598917e+00 -1.227598917e+00 3.70 -1.186456366e+00 -1.186456366e+00 3.72 -1.146237134e+00 -1.146237134e+00 3.74 -1.107003403e+00 -1.107003403e+00 3.76 -1.068809596e+00 -1.068809596e+00 3.78 -1.031663877e+00 -1.031663877e+00 3.80 -9.955440601e-01 -9.955440601e-01 3.82 -9.604335235e-01 -9.604335235e-01 3.84 -9.263007729e-01 -9.263007729e-01 3.86 -8.931180276e-01 -8.931180276e-01 3.88 -8.608695028e-01 -8.608695028e-01 3.90 -8.295472884e-01 -8.295472884e-01 3.92 -7.991437416e-01 -7.991437416e-01 3.94 -7.696194594e-01 -7.696194594e-01 3.96 -7.409016800e-01 -7.409016800e-01 3.98 -7.129422853e-01 -7.129422853e-01 4.00 -6.857876644e-01 -6.857876644e-01 4.02 -6.594828502e-01 -6.594828502e-01 4.04 -6.340590148e-01 -6.340590148e-01 4.06 -6.095356885e-01 -6.095356885e-01 4.08 -5.859253453e-01 -5.859253453e-01 4.10 -5.632879613e-01 -5.632879613e-01 4.12 -5.416279411e-01 -5.416279411e-01 4.14 -5.208058397e-01 -5.208058397e-01 4.16 -5.006301094e-01 -5.006301094e-01 4.18 -4.809555263e-01 -4.809555263e-01 4.20 -4.616747009e-01 -4.616747009e-01 4.22 -4.427108271e-01 -4.427108271e-01 4.24 -4.240115956e-01 -4.240115956e-01 4.26 -4.055438720e-01 -4.055438720e-01 4.28 -3.872630027e-01 -3.872630027e-01 4.30 -3.697636693e-01 -3.697636693e-01 4.32 -3.527508687e-01 -3.527508687e-01 4.34 -3.359451909e-01 -3.359451909e-01 4.36 -3.193424247e-01 -3.193424247e-01 4.38 -3.029951396e-01 -3.029951396e-01 4.40 -2.869806495e-01 -2.869806495e-01 4.42 -2.713667691e-01 -2.713667691e-01 4.44 -2.562048817e-01 -2.562048817e-01 4.46 -2.415326506e-01 -2.415326506e-01 4.48 -2.273763368e-01 -2.273763368e-01 4.50 -2.137527673e-01 -2.137527673e-01 4.52 -2.006710125e-01 -2.006710125e-01 4.54 -1.881338081e-01 -1.881338081e-01 4.56 -1.761386183e-01 -1.761386183e-01 4.58 -1.646670839e-01 -1.646670839e-01 4.60 -1.540472745e-01 -1.540472745e-01 4.62 -1.442346817e-01 -1.442346817e-01 4.64 -1.348748657e-01 -1.348748657e-01 4.66 -1.259650768e-01 -1.259650768e-01 4.68 -1.174900449e-01 -1.174900449e-01 4.70 -1.094338645e-01 -1.094338645e-01 4.72 -1.017802894e-01 -1.017802894e-01 4.74 -9.451293397e-02 -9.451293397e-02 4.76 -8.761543790e-02 -8.761543790e-02 4.78 -8.107159682e-02 -8.107159682e-02 4.80 -7.486230579e-02 -7.486230579e-02 4.82 -6.906873302e-02 -6.906873302e-02 4.84 -6.361239533e-02 -6.361239533e-02 4.86 -5.843926966e-02 -5.843926966e-02 4.88 -5.353569739e-02 -5.353569739e-02 4.90 -4.888850633e-02 -4.888850633e-02 4.92 -4.448478109e-02 -4.448478109e-02 4.94 -4.028350439e-02 -4.028350439e-02 4.96 -3.671990462e-02 -3.671990462e-02 4.98 -3.375106008e-02 -3.375106008e-02 5.00 -3.091289799e-02 -3.091289799e-02 5.02 -2.822567076e-02 -2.822567076e-02 5.04 -2.568179219e-02 -2.568179219e-02 5.06 -2.327382545e-02 -2.327382545e-02 5.08 -2.099469023e-02 -2.099469023e-02 5.10 -1.883765023e-02 -1.883765023e-02 5.12 -1.679630043e-02 -1.679630043e-02 5.14 -1.486455400e-02 -1.486455400e-02 5.16 -1.303662907e-02 -1.303662907e-02 5.18 -1.130703573e-02 -1.130703573e-02 5.20 -9.670563289e-03 -9.670563289e-03 5.22 -8.122267743e-03 -8.122267743e-03 5.24 -6.657459261e-03 -6.657459261e-03 5.26 -5.271664943e-03 -5.271664943e-03 5.28 -3.962317233e-03 -3.962317233e-03 5.30 -2.761168993e-03 -2.761168993e-03 5.32 -2.424240819e-03 -2.424240819e-03 5.34 -2.133039090e-03 -2.133039090e-03 5.36 -1.865189218e-03 -1.865189218e-03 5.38 -1.613316543e-03 -1.613316543e-03 5.40 -1.376500431e-03 -1.376500431e-03 5.42 -1.153871230e-03 -1.153871230e-03 5.44 -9.446075537e-04 -9.446075537e-04 5.46 -7.479337273e-04 -7.479337273e-04 5.48 -5.631173669e-04 -5.631173669e-04 5.50 -3.894670819e-04 -3.894670819e-04 5.52 -2.263302600e-04 -2.263302600e-04 5.54 -7.210724864e-05 -7.210724864e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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