# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuNi2 # 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 4.211107140e+02 4.211107140e+02 1.00 3.838677443e+02 3.838677443e+02 1.02 3.500661892e+02 3.500661892e+02 1.04 3.193720567e+02 3.193720567e+02 1.06 2.914861580e+02 2.914861580e+02 1.08 2.661384971e+02 2.661384971e+02 1.10 2.430874974e+02 2.430874974e+02 1.12 2.221127457e+02 2.221127457e+02 1.14 2.030163996e+02 2.030163996e+02 1.16 1.856296010e+02 1.856296010e+02 1.18 1.697923316e+02 1.697923316e+02 1.20 1.553651109e+02 1.553651109e+02 1.22 1.422125583e+02 1.422125583e+02 1.24 1.302219800e+02 1.302219800e+02 1.26 1.192839676e+02 1.192839676e+02 1.28 1.093006339e+02 1.093006339e+02 1.30 1.001870845e+02 1.001870845e+02 1.32 9.186124014e+01 9.186124014e+01 1.34 8.424992950e+01 8.424992950e+01 1.36 7.728964259e+01 7.728964259e+01 1.38 7.092066923e+01 7.092066923e+01 1.40 6.508809352e+01 6.508809352e+01 1.42 5.974402808e+01 5.974402808e+01 1.44 5.484607546e+01 5.484607546e+01 1.46 5.035202880e+01 5.035202880e+01 1.48 4.622525701e+01 4.622525701e+01 1.50 4.243533075e+01 4.243533075e+01 1.52 3.895307683e+01 3.895307683e+01 1.54 3.575114169e+01 3.575114169e+01 1.56 3.280568295e+01 3.280568295e+01 1.58 3.009459196e+01 3.009459196e+01 1.60 2.759785647e+01 2.759785647e+01 1.62 2.529629921e+01 2.529629921e+01 1.64 2.317410373e+01 2.317410373e+01 1.66 2.121573495e+01 2.121573495e+01 1.68 1.940808119e+01 1.940808119e+01 1.70 1.773966603e+01 1.773966603e+01 1.72 1.619776432e+01 1.619776432e+01 1.74 1.477434503e+01 1.477434503e+01 1.76 1.345944795e+01 1.345944795e+01 1.78 1.224556616e+01 1.224556616e+01 1.80 1.112466498e+01 1.112466498e+01 1.82 1.003033428e+01 1.003033428e+01 1.84 9.037867149e+00 9.037867149e+00 1.86 8.089498005e+00 8.089498005e+00 1.88 7.183422014e+00 7.183422014e+00 1.90 6.321682998e+00 6.321682998e+00 1.92 5.503526604e+00 5.503526604e+00 1.94 4.728594092e+00 4.728594092e+00 1.96 3.996030782e+00 3.996030782e+00 1.98 3.304237319e+00 3.304237319e+00 2.00 2.652752196e+00 2.652752196e+00 2.02 2.040939255e+00 2.040939255e+00 2.04 1.467654428e+00 1.467654428e+00 2.06 9.316919859e-01 9.316919859e-01 2.08 4.317969231e-01 4.317969231e-01 2.10 -3.227079459e-02 -3.227079459e-02 2.12 -4.630553554e-01 -4.630553554e-01 2.14 -8.618616028e-01 -8.618616028e-01 2.16 -1.230249368e+00 -1.230249368e+00 2.18 -1.569367707e+00 -1.569367707e+00 2.20 -1.880441223e+00 -1.880441223e+00 2.22 -2.164913829e+00 -2.164913829e+00 2.24 -2.423971812e+00 -2.423971812e+00 2.26 -2.658114604e+00 -2.658114604e+00 2.28 -2.869449250e+00 -2.869449250e+00 2.30 -3.059206543e+00 -3.059206543e+00 2.32 -3.228582661e+00 -3.228582661e+00 2.34 -3.378432568e+00 -3.378432568e+00 2.36 -3.510021485e+00 -3.510021485e+00 2.38 -3.624554931e+00 -3.624554931e+00 2.40 -3.723203312e+00 -3.723203312e+00 2.42 -3.807371680e+00 -3.807371680e+00 2.44 -3.877637745e+00 -3.877637745e+00 2.46 -3.934945936e+00 -3.934945936e+00 2.48 -3.979983684e+00 -3.979983684e+00 2.50 -4.013939148e+00 -4.013939148e+00 2.52 -4.038177757e+00 -4.038177757e+00 2.54 -4.053215365e+00 -4.053215365e+00 2.56 -4.059506616e+00 -4.059506616e+00 2.58 -4.057742481e+00 -4.057742481e+00 2.60 -4.049210482e+00 -4.049210482e+00 2.62 -4.034040609e+00 -4.034040609e+00 2.64 -4.012587577e+00 -4.012587577e+00 2.66 -3.985513292e+00 -3.985513292e+00 2.68 -3.953349607e+00 -3.953349607e+00 2.70 -3.916596353e+00 -3.916596353e+00 2.72 -3.875715715e+00 -3.875715715e+00 2.74 -3.830763063e+00 -3.830763063e+00 2.76 -3.781951194e+00 -3.781951194e+00 2.78 -3.730304819e+00 -3.730304819e+00 2.80 -3.676031637e+00 -3.676031637e+00 2.82 -3.618834224e+00 -3.618834224e+00 2.84 -3.559820066e+00 -3.559820066e+00 2.86 -3.499235944e+00 -3.499235944e+00 2.88 -3.437330510e+00 -3.437330510e+00 2.90 -3.374347093e+00 -3.374347093e+00 2.92 -3.310637900e+00 -3.310637900e+00 2.94 -3.246245878e+00 -3.246245878e+00 2.96 -3.181936937e+00 -3.181936937e+00 2.98 -3.117168590e+00 -3.117168590e+00 3.00 -3.051886023e+00 -3.051886023e+00 3.02 -2.986524155e+00 -2.986524155e+00 3.04 -2.921397378e+00 -2.921397378e+00 3.06 -2.856678924e+00 -2.856678924e+00 3.08 -2.792195967e+00 -2.792195967e+00 3.10 -2.728046630e+00 -2.728046630e+00 3.12 -2.664315911e+00 -2.664315911e+00 3.14 -2.601080304e+00 -2.601080304e+00 3.16 -2.538408456e+00 -2.538408456e+00 3.18 -2.476361783e+00 -2.476361783e+00 3.20 -2.414995032e+00 -2.414995032e+00 3.22 -2.354356735e+00 -2.354356735e+00 3.24 -2.294489708e+00 -2.294489708e+00 3.26 -2.235431731e+00 -2.235431731e+00 3.28 -2.177213732e+00 -2.177213732e+00 3.30 -2.119875854e+00 -2.119875854e+00 3.32 -2.063421879e+00 -2.063421879e+00 3.34 -2.007837041e+00 -2.007837041e+00 3.36 -1.953076769e+00 -1.953076769e+00 3.38 -1.899116027e+00 -1.899116027e+00 3.40 -1.846126338e+00 -1.846126338e+00 3.42 -1.794371637e+00 -1.794371637e+00 3.44 -1.743448725e+00 -1.743448725e+00 3.46 -1.693238362e+00 -1.693238362e+00 3.48 -1.643912757e+00 -1.643912757e+00 3.50 -1.595606760e+00 -1.595606760e+00 3.52 -1.548308159e+00 -1.548308159e+00 3.54 -1.502000044e+00 -1.502000044e+00 3.56 -1.456659491e+00 -1.456659491e+00 3.58 -1.412263312e+00 -1.412263312e+00 3.60 -1.368797562e+00 -1.368797562e+00 3.62 -1.326258971e+00 -1.326258971e+00 3.64 -1.284653457e+00 -1.284653457e+00 3.66 -1.243989373e+00 -1.243989373e+00 3.68 -1.204246640e+00 -1.204246640e+00 3.70 -1.165410250e+00 -1.165410250e+00 3.72 -1.127478616e+00 -1.127478616e+00 3.74 -1.090445434e+00 -1.090445434e+00 3.76 -1.054298767e+00 -1.054298767e+00 3.78 -1.018958298e+00 -1.018958298e+00 3.80 -9.844119859e-01 -9.844119859e-01 3.82 -9.506927298e-01 -9.506927298e-01 3.84 -9.178338204e-01 -9.178338204e-01 3.86 -8.858830266e-01 -8.858830266e-01 3.88 -8.548755665e-01 -8.548755665e-01 3.90 -8.248813286e-01 -8.248813286e-01 3.92 -7.958935648e-01 -7.958935648e-01 3.94 -7.676444726e-01 -7.676444726e-01 3.96 -7.400093478e-01 -7.400093478e-01 3.98 -7.129329566e-01 -7.129329566e-01 4.00 -6.863848177e-01 -6.863848177e-01 4.02 -6.603526123e-01 -6.603526123e-01 4.04 -6.348369272e-01 -6.348369272e-01 4.06 -6.098489472e-01 -6.098489472e-01 4.08 -5.855419878e-01 -5.855419878e-01 4.10 -5.618012515e-01 -5.618012515e-01 4.12 -5.383999255e-01 -5.383999255e-01 4.14 -5.152455600e-01 -5.152455600e-01 4.16 -4.923957166e-01 -4.923957166e-01 4.18 -4.705397183e-01 -4.705397183e-01 4.20 -4.489230332e-01 -4.489230332e-01 4.22 -4.275902738e-01 -4.275902738e-01 4.24 -4.065684099e-01 -4.065684099e-01 4.26 -3.858833483e-01 -3.858833483e-01 4.28 -3.655214263e-01 -3.655214263e-01 4.30 -3.463354173e-01 -3.463354173e-01 4.32 -3.277984362e-01 -3.277984362e-01 4.34 -3.095773364e-01 -3.095773364e-01 4.36 -2.917798268e-01 -2.917798268e-01 4.38 -2.744819396e-01 -2.744819396e-01 4.40 -2.577399405e-01 -2.577399405e-01 4.42 -2.415937429e-01 -2.415937429e-01 4.44 -2.260697821e-01 -2.260697821e-01 4.46 -2.111834526e-01 -2.111834526e-01 4.48 -1.969411753e-01 -1.969411753e-01 4.50 -1.833421291e-01 -1.833421291e-01 4.52 -1.703797103e-01 -1.703797103e-01 4.54 -1.580427571e-01 -1.580427571e-01 4.56 -1.463165781e-01 -1.463165781e-01 4.58 -1.351838015e-01 -1.351838015e-01 4.60 -1.246250806e-01 -1.246250806e-01 4.62 -1.146196785e-01 -1.146196785e-01 4.64 -1.051459487e-01 -1.051459487e-01 4.66 -9.618172587e-02 -9.618172587e-02 4.68 -8.770464088e-02 -8.770464088e-02 4.70 -7.969237810e-02 -7.969237810e-02 4.72 -7.212287476e-02 -7.212287476e-02 4.74 -6.497447959e-02 -6.497447959e-02 4.76 -5.822607668e-02 -5.822607668e-02 4.78 -5.186287555e-02 -5.186287555e-02 4.80 -4.586719552e-02 -4.586719552e-02 4.82 -4.167732698e-02 -4.167732698e-02 4.84 -3.777784960e-02 -3.777784960e-02 4.86 -3.409684951e-02 -3.409684951e-02 4.88 -3.062293839e-02 -3.062293839e-02 4.90 -2.734508241e-02 -2.734508241e-02 4.92 -2.425231650e-02 -2.425231650e-02 4.94 -2.128639466e-02 -2.128639466e-02 4.96 -1.918246825e-02 -1.918246825e-02 4.98 -1.787412316e-02 -1.787412316e-02 5.00 -1.659650328e-02 -1.659650328e-02 5.02 -1.539260220e-02 -1.539260220e-02 5.04 -1.425862328e-02 -1.425862328e-02 5.06 -1.319062980e-02 -1.319062980e-02 5.08 -1.218489834e-02 -1.218489834e-02 5.10 -1.123790799e-02 -1.123790799e-02 5.12 -1.034633016e-02 -1.034633016e-02 5.14 -9.507018586e-03 -9.507018586e-03 5.16 -8.716999850e-03 -8.716999850e-03 5.18 -7.973464288e-03 -7.973464288e-03 5.20 -7.273757408e-03 -7.273757408e-03 5.22 -6.615371706e-03 -6.615371706e-03 5.24 -5.995938764e-03 -5.995938764e-03 5.26 -5.413221793e-03 -5.413221793e-03 5.28 -4.865108561e-03 -4.865108561e-03 5.30 -4.349604727e-03 -4.349604727e-03 5.32 -3.864827463e-03 -3.864827463e-03 5.34 -3.408999368e-03 -3.408999368e-03 5.36 -2.980442731e-03 -2.980442731e-03 5.38 -2.577574122e-03 -2.577574122e-03 5.40 -2.198899282e-03 -2.198899282e-03 5.42 -1.843008223e-03 -1.843008223e-03 5.44 -1.508570592e-03 -1.508570592e-03 5.46 -1.194331309e-03 -1.194331309e-03 5.48 -8.991064501e-04 -8.991064501e-04 5.50 -6.217793555e-04 -6.217793555e-04 5.52 -3.612968878e-04 -3.612968878e-04 5.54 -1.150956408e-04 -1.150956408e-04 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 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00