# 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 = CuPd2Pt # 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 8.520003600e+02 8.520003600e+02 0.98 7.775300175e+02 7.775300175e+02 1.00 7.103039906e+02 7.103039906e+02 1.02 6.495451293e+02 6.495451293e+02 1.04 5.945729099e+02 5.945729099e+02 1.06 5.447839875e+02 5.447839875e+02 1.08 4.996360038e+02 4.996360038e+02 1.10 4.586527372e+02 4.586527372e+02 1.12 4.214075433e+02 4.214075433e+02 1.14 3.875194987e+02 3.875194987e+02 1.16 3.566496497e+02 3.566496497e+02 1.18 3.284982226e+02 3.284982226e+02 1.20 3.027963851e+02 3.027963851e+02 1.22 2.793021578e+02 2.793021578e+02 1.24 2.578018836e+02 2.578018836e+02 1.26 2.381028217e+02 2.381028217e+02 1.28 2.200333255e+02 2.200333255e+02 1.30 2.034383959e+02 2.034383959e+02 1.32 1.881814777e+02 1.881814777e+02 1.34 1.741390481e+02 1.741390481e+02 1.36 1.611999063e+02 1.611999063e+02 1.38 1.492638439e+02 1.492638439e+02 1.40 1.382421739e+02 1.382421739e+02 1.42 1.280543328e+02 1.280543328e+02 1.44 1.186290071e+02 1.186290071e+02 1.46 1.099007767e+02 1.099007767e+02 1.48 1.018104628e+02 1.018104628e+02 1.50 9.430497558e+01 9.430497558e+01 1.52 8.733619472e+01 8.733619472e+01 1.54 8.085994298e+01 8.085994298e+01 1.56 7.483700259e+01 7.483700259e+01 1.58 6.923191932e+01 6.923191932e+01 1.60 6.401293522e+01 6.401293522e+01 1.62 5.915046855e+01 5.915046855e+01 1.64 5.461753388e+01 5.461753388e+01 1.66 5.038952913e+01 5.038952913e+01 1.68 4.644393915e+01 4.644393915e+01 1.70 4.276018320e+01 4.276018320e+01 1.72 3.931941943e+01 3.931941943e+01 1.74 3.610435485e+01 3.610435485e+01 1.76 3.309851277e+01 3.309851277e+01 1.78 3.028689855e+01 3.028689855e+01 1.80 2.765865241e+01 2.765865241e+01 1.82 2.520001659e+01 2.520001659e+01 1.84 2.289317363e+01 2.289317363e+01 1.86 2.074708848e+01 2.074708848e+01 1.88 1.873855769e+01 1.873855769e+01 1.90 1.686005160e+01 1.686005160e+01 1.92 1.510467049e+01 1.510467049e+01 1.94 1.346591290e+01 1.346591290e+01 1.96 1.193743366e+01 1.193743366e+01 1.98 1.051332500e+01 1.051332500e+01 2.00 9.187973552e+00 9.187973552e+00 2.02 7.956054716e+00 7.956054716e+00 2.04 6.812459054e+00 6.812459054e+00 2.06 5.752097611e+00 5.752097611e+00 2.08 4.770156627e+00 4.770156627e+00 2.10 3.862492815e+00 3.862492815e+00 2.12 3.024379668e+00 3.024379668e+00 2.14 2.251959772e+00 2.251959772e+00 2.16 1.541355425e+00 1.541355425e+00 2.18 8.889708239e-01 8.889708239e-01 2.20 2.912775687e-01 2.912775687e-01 2.22 -2.542029526e-01 -2.542029526e-01 2.24 -7.516031806e-01 -7.516031806e-01 2.26 -1.204051102e+00 -1.204051102e+00 2.28 -1.614441831e+00 -1.614441831e+00 2.30 -1.985574321e+00 -1.985574321e+00 2.32 -2.320161596e+00 -2.320161596e+00 2.34 -2.620514146e+00 -2.620514146e+00 2.36 -2.888764764e+00 -2.888764764e+00 2.38 -3.126900672e+00 -3.126900672e+00 2.40 -3.337401316e+00 -3.337401316e+00 2.42 -3.522235339e+00 -3.522235339e+00 2.44 -3.683073639e+00 -3.683073639e+00 2.46 -3.821708013e+00 -3.821708013e+00 2.48 -3.939928138e+00 -3.939928138e+00 2.50 -4.039449972e+00 -4.039449972e+00 2.52 -4.121576066e+00 -4.121576066e+00 2.54 -4.187672085e+00 -4.187672085e+00 2.56 -4.239015365e+00 -4.239015365e+00 2.58 -4.276787665e+00 -4.276787665e+00 2.60 -4.302839178e+00 -4.302839178e+00 2.62 -4.317720491e+00 -4.317720491e+00 2.64 -4.321877885e+00 -4.321877885e+00 2.66 -4.316572956e+00 -4.316572956e+00 2.68 -4.302846658e+00 -4.302846658e+00 2.70 -4.281271393e+00 -4.281271393e+00 2.72 -4.252590846e+00 -4.252590846e+00 2.74 -4.217497851e+00 -4.217497851e+00 2.76 -4.176642879e+00 -4.176642879e+00 2.78 -4.131628061e+00 -4.131628061e+00 2.80 -4.082383301e+00 -4.082383301e+00 2.82 -4.028414958e+00 -4.028414958e+00 2.84 -3.970818579e+00 -3.970818579e+00 2.86 -3.910038049e+00 -3.910038049e+00 2.88 -3.846046167e+00 -3.846046167e+00 2.90 -3.779330708e+00 -3.779330708e+00 2.92 -3.710592650e+00 -3.710592650e+00 2.94 -3.640153274e+00 -3.640153274e+00 2.96 -3.568312188e+00 -3.568312188e+00 2.98 -3.495344202e+00 -3.495344202e+00 3.00 -3.421489205e+00 -3.421489205e+00 3.02 -3.347038885e+00 -3.347038885e+00 3.04 -3.271056722e+00 -3.271056722e+00 3.06 -3.194946902e+00 -3.194946902e+00 3.08 -3.118838240e+00 -3.118838240e+00 3.10 -3.042885992e+00 -3.042885992e+00 3.12 -2.967236488e+00 -2.967236488e+00 3.14 -2.892020112e+00 -2.892020112e+00 3.16 -2.817354463e+00 -2.817354463e+00 3.18 -2.743345264e+00 -2.743345264e+00 3.20 -2.670087230e+00 -2.670087230e+00 3.22 -2.597664891e+00 -2.597664891e+00 3.24 -2.526145939e+00 -2.526145939e+00 3.26 -2.456495187e+00 -2.456495187e+00 3.28 -2.388150938e+00 -2.388150938e+00 3.30 -2.320827002e+00 -2.320827002e+00 3.32 -2.254571276e+00 -2.254571276e+00 3.34 -2.189424954e+00 -2.189424954e+00 3.36 -2.125421820e+00 -2.125421820e+00 3.38 -2.062601671e+00 -2.062601671e+00 3.40 -2.000977693e+00 -2.000977693e+00 3.42 -1.940544287e+00 -1.940544287e+00 3.44 -1.881293364e+00 -1.881293364e+00 3.46 -1.823184439e+00 -1.823184439e+00 3.48 -1.766251079e+00 -1.766251079e+00 3.50 -1.710576994e+00 -1.710576994e+00 3.52 -1.656183625e+00 -1.656183625e+00 3.54 -1.603050106e+00 -1.603050106e+00 3.56 -1.551158240e+00 -1.551158240e+00 3.58 -1.500471027e+00 -1.500471027e+00 3.60 -1.450950632e+00 -1.450950632e+00 3.62 -1.402616163e+00 -1.402616163e+00 3.64 -1.355502292e+00 -1.355502292e+00 3.66 -1.309562633e+00 -1.309562633e+00 3.68 -1.264711600e+00 -1.264711600e+00 3.70 -1.220899156e+00 -1.220899156e+00 3.72 -1.178174705e+00 -1.178174705e+00 3.74 -1.136595919e+00 -1.136595919e+00 3.76 -1.096197202e+00 -1.096197202e+00 3.78 -1.056954612e+00 -1.056954612e+00 3.80 -1.018837021e+00 -1.018837021e+00 3.82 -9.818192208e-01 -9.818192208e-01 3.84 -9.458675231e-01 -9.458675231e-01 3.86 -9.109497414e-01 -9.109497414e-01 3.88 -8.770494221e-01 -8.770494221e-01 3.90 -8.441547285e-01 -8.441547285e-01 3.92 -8.122541741e-01 -8.122541741e-01 3.94 -7.813131506e-01 -7.813131506e-01 3.96 -7.512438282e-01 -7.512438282e-01 3.98 -7.220049237e-01 -7.220049237e-01 4.00 -6.936410556e-01 -6.936410556e-01 4.02 -6.661855657e-01 -6.661855657e-01 4.04 -6.396601780e-01 -6.396601780e-01 4.06 -6.140768498e-01 -6.140768498e-01 4.08 -5.894413849e-01 -5.894413849e-01 4.10 -5.658060935e-01 -5.658060935e-01 4.12 -5.431888464e-01 -5.431888464e-01 4.14 -5.214195531e-01 -5.214195531e-01 4.16 -5.003292675e-01 -5.003292675e-01 4.18 -4.797896110e-01 -4.797896110e-01 4.20 -4.597052245e-01 -4.597052245e-01 4.22 -4.400074107e-01 -4.400074107e-01 4.24 -4.206487994e-01 -4.206487994e-01 4.26 -4.015987083e-01 -4.015987083e-01 4.28 -3.828076161e-01 -3.828076161e-01 4.30 -3.649120043e-01 -3.649120043e-01 4.32 -3.475726749e-01 -3.475726749e-01 4.34 -3.304808623e-01 -3.304808623e-01 4.36 -3.136423636e-01 -3.136423636e-01 4.38 -2.971166495e-01 -2.971166495e-01 4.40 -2.809783150e-01 -2.809783150e-01 4.42 -2.652850954e-01 -2.652850954e-01 4.44 -2.500798784e-01 -2.500798784e-01 4.46 -2.353931867e-01 -2.353931867e-01 4.48 -2.212452945e-01 -2.212452945e-01 4.50 -2.076480291e-01 -2.076480291e-01 4.52 -1.946063008e-01 -1.946063008e-01 4.54 -1.821193989e-01 -1.821193989e-01 4.56 -1.701820877e-01 -1.701820877e-01 4.58 -1.587876750e-01 -1.587876750e-01 4.60 -1.483719271e-01 -1.483719271e-01 4.62 -1.388812401e-01 -1.388812401e-01 4.64 -1.298380313e-01 -1.298380313e-01 4.66 -1.212274950e-01 -1.212274950e-01 4.68 -1.130342462e-01 -1.130342462e-01 4.70 -1.052425529e-01 -1.052425529e-01 4.72 -9.783652706e-02 -9.783652706e-02 4.74 -9.080028110e-02 -9.080028110e-02 4.76 -8.411805423e-02 -8.411805423e-02 4.78 -7.777431411e-02 -7.777431411e-02 4.80 -7.175383727e-02 -7.175383727e-02 4.82 -6.604177171e-02 -6.604177171e-02 4.84 -6.062368451e-02 -6.062368451e-02 4.86 -5.548559673e-02 -5.548559673e-02 4.88 -5.061400843e-02 -5.061400843e-02 4.90 -4.599591432e-02 -4.599591432e-02 4.92 -4.161855857e-02 -4.161855857e-02 4.94 -3.744658399e-02 -3.744658399e-02 4.96 -3.390871181e-02 -3.390871181e-02 4.98 -3.094570377e-02 -3.094570377e-02 5.00 -2.812213815e-02 -2.812213815e-02 5.02 -2.544774564e-02 -2.544774564e-02 5.04 -2.291499966e-02 -2.291499966e-02 5.06 -2.051661322e-02 -2.051661322e-02 5.08 -1.824564682e-02 -1.824564682e-02 5.10 -1.609549597e-02 -1.609549597e-02 5.12 -1.405987848e-02 -1.405987848e-02 5.14 -1.213282167e-02 -1.213282167e-02 5.16 -1.030864954e-02 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