# 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 = Ag2PdPt # 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 7.970751389e+02 7.970751389e+02 1.00 7.308430621e+02 7.308430621e+02 1.02 6.708158798e+02 6.708158798e+02 1.04 6.163489333e+02 6.163489333e+02 1.06 5.668710034e+02 5.668710034e+02 1.08 5.218692456e+02 5.218692456e+02 1.10 4.808956872e+02 4.808956872e+02 1.12 4.435467783e+02 4.435467783e+02 1.14 4.094610315e+02 4.094610315e+02 1.16 3.783189241e+02 3.783189241e+02 1.18 3.498330750e+02 3.498330750e+02 1.20 3.237457034e+02 3.237457034e+02 1.22 2.998248318e+02 2.998248318e+02 1.24 2.778680819e+02 2.778680819e+02 1.26 2.576903941e+02 2.576903941e+02 1.28 2.391258555e+02 2.391258555e+02 1.30 2.220227408e+02 2.220227408e+02 1.32 2.062497340e+02 2.062497340e+02 1.34 1.916874207e+02 1.916874207e+02 1.36 1.782275282e+02 1.782275282e+02 1.38 1.657730513e+02 1.657730513e+02 1.40 1.542361756e+02 1.542361756e+02 1.42 1.435367691e+02 1.435367691e+02 1.44 1.336052471e+02 1.336052471e+02 1.46 1.243771232e+02 1.243771232e+02 1.48 1.157943977e+02 1.157943977e+02 1.50 1.078048865e+02 1.078048865e+02 1.52 1.003611364e+02 1.003611364e+02 1.54 9.341976501e+01 9.341976501e+01 1.56 8.694108250e+01 8.694108250e+01 1.58 8.088958272e+01 8.088958272e+01 1.60 7.523464599e+01 7.523464599e+01 1.62 6.994656492e+01 6.994656492e+01 1.64 6.499888286e+01 6.499888286e+01 1.66 6.036727660e+01 6.036727660e+01 1.68 5.602943214e+01 5.602943214e+01 1.70 5.196489485e+01 5.196489485e+01 1.72 4.815477799e+01 4.815477799e+01 1.74 4.458202711e+01 4.458202711e+01 1.76 4.123079534e+01 4.123079534e+01 1.78 3.808550249e+01 3.808550249e+01 1.80 3.513332903e+01 3.513332903e+01 1.82 3.236233060e+01 3.236233060e+01 1.84 2.976096412e+01 2.976096412e+01 1.86 2.731851628e+01 2.731851628e+01 1.88 2.499401549e+01 2.499401549e+01 1.90 2.284102108e+01 2.284102108e+01 1.92 2.082581085e+01 2.082581085e+01 1.94 1.893730379e+01 1.893730379e+01 1.96 1.716808291e+01 1.716808291e+01 1.98 1.551100893e+01 1.551100893e+01 2.00 1.395990256e+01 1.395990256e+01 2.02 1.250878636e+01 1.250878636e+01 2.04 1.115204879e+01 1.115204879e+01 2.06 9.884362987e+00 9.884362987e+00 2.08 8.700725276e+00 8.700725276e+00 2.10 7.596628593e+00 7.596628593e+00 2.12 6.567093036e+00 6.567093036e+00 2.14 5.608469663e+00 5.608469663e+00 2.16 4.717027339e+00 4.717027339e+00 2.18 3.889128312e+00 3.889128312e+00 2.20 3.121404103e+00 3.121404103e+00 2.22 2.410484320e+00 2.410484320e+00 2.24 1.753271997e+00 1.753271997e+00 2.26 1.146808944e+00 1.146808944e+00 2.28 5.882586364e-01 5.882586364e-01 2.30 7.489218550e-02 7.489218550e-02 2.32 -3.959145836e-01 -3.959145836e-01 2.34 -8.263086961e-01 -8.263086961e-01 2.36 -1.218674065e+00 -1.218674065e+00 2.38 -1.575399650e+00 -1.575399650e+00 2.40 -1.898651772e+00 -1.898651772e+00 2.42 -2.190506154e+00 -2.190506154e+00 2.44 -2.452862863e+00 -2.452862863e+00 2.46 -2.687401048e+00 -2.687401048e+00 2.48 -2.895864317e+00 -2.895864317e+00 2.50 -3.080136983e+00 -3.080136983e+00 2.52 -3.241831596e+00 -3.241831596e+00 2.54 -3.382485070e+00 -3.382485070e+00 2.56 -3.503561165e+00 -3.503561165e+00 2.58 -3.606452740e+00 -3.606452740e+00 2.60 -3.692392205e+00 -3.692392205e+00 2.62 -3.762560484e+00 -3.762560484e+00 2.64 -3.818291349e+00 -3.818291349e+00 2.66 -3.860865969e+00 -3.860865969e+00 2.68 -3.891407792e+00 -3.891407792e+00 2.70 -3.910751438e+00 -3.910751438e+00 2.72 -3.919708225e+00 -3.919708225e+00 2.74 -3.919161109e+00 -3.919161109e+00 2.76 -3.910108051e+00 -3.910108051e+00 2.78 -3.893809245e+00 -3.893809245e+00 2.80 -3.870821121e+00 -3.870821121e+00 2.82 -3.841502655e+00 -3.841502655e+00 2.84 -3.806502169e+00 -3.806502169e+00 2.86 -3.766424533e+00 -3.766424533e+00 2.88 -3.721832307e+00 -3.721832307e+00 2.90 -3.673275620e+00 -3.673275620e+00 2.92 -3.621514731e+00 -3.621514731e+00 2.94 -3.566665899e+00 -3.566665899e+00 2.96 -3.509105035e+00 -3.509105035e+00 2.98 -3.448618213e+00 -3.448618213e+00 3.00 -3.386109152e+00 -3.386109152e+00 3.02 -3.322034771e+00 -3.322034771e+00 3.04 -3.256686390e+00 -3.256686390e+00 3.06 -3.190351785e+00 -3.190351785e+00 3.08 -3.122569284e+00 -3.122569284e+00 3.10 -3.054100150e+00 -3.054100150e+00 3.12 -2.985245825e+00 -2.985245825e+00 3.14 -2.916300577e+00 -2.916300577e+00 3.16 -2.847438021e+00 -2.847438021e+00 3.18 -2.778803194e+00 -2.778803194e+00 3.20 -2.710527534e+00 -2.710527534e+00 3.22 -2.642728571e+00 -2.642728571e+00 3.24 -2.575499077e+00 -2.575499077e+00 3.26 -2.509557966e+00 -2.509557966e+00 3.28 -2.444547635e+00 -2.444547635e+00 3.30 -2.380324067e+00 -2.380324067e+00 3.32 -2.316951997e+00 -2.316951997e+00 3.34 -2.254489054e+00 -2.254489054e+00 3.36 -2.192984955e+00 -2.192984955e+00 3.38 -2.132482049e+00 -2.132482049e+00 3.40 -2.073025866e+00 -2.073025866e+00 3.42 -2.014755441e+00 -2.014755441e+00 3.44 -1.957570472e+00 -1.957570472e+00 3.46 -1.901490630e+00 -1.901490630e+00 3.48 -1.846532391e+00 -1.846532391e+00 3.50 -1.792710127e+00 -1.792710127e+00 3.52 -1.740026359e+00 -1.740026359e+00 3.54 -1.688492670e+00 -1.688492670e+00 3.56 -1.638110068e+00 -1.638110068e+00 3.58 -1.588807098e+00 -1.588807098e+00 3.60 -1.540534584e+00 -1.540534584e+00 3.62 -1.493318208e+00 -1.493318208e+00 3.64 -1.447167597e+00 -1.447167597e+00 3.66 -1.402076855e+00 -1.402076855e+00 3.68 -1.358051439e+00 -1.358051439e+00 3.70 -1.315118813e+00 -1.315118813e+00 3.72 -1.273302778e+00 -1.273302778e+00 3.74 -1.232593800e+00 -1.232593800e+00 3.76 -1.192969294e+00 -1.192969294e+00 3.78 -1.154397455e+00 -1.154397455e+00 3.80 -1.116857171e+00 -1.116857171e+00 3.82 -1.080320797e+00 -1.080320797e+00 3.84 -1.044777667e+00 -1.044777667e+00 3.86 -1.010192274e+00 -1.010192274e+00 3.88 -9.765560598e-01 -9.765560598e-01 3.90 -9.438510891e-01 -9.438510891e-01 3.92 -9.119988203e-01 -9.119988203e-01 3.94 -8.810324075e-01 -8.810324075e-01 3.96 -8.508926353e-01 -8.508926353e-01 3.98 -8.214594356e-01 -8.214594356e-01 4.00 -7.928697811e-01 -7.928697811e-01 4.02 -7.652334343e-01 -7.652334343e-01 4.04 -7.386575661e-01 -7.386575661e-01 4.06 -7.132314788e-01 -7.132314788e-01 4.08 -6.888614495e-01 -6.888614495e-01 4.10 -6.654644692e-01 -6.654644692e-01 4.12 -6.431418139e-01 -6.431418139e-01 4.14 -6.216986063e-01 -6.216986063e-01 4.16 -6.008186818e-01 -6.008186818e-01 4.18 -5.802702803e-01 -5.802702803e-01 4.20 -5.598895563e-01 -5.598895563e-01 4.22 -5.395668187e-01 -5.395668187e-01 4.24 -5.192350917e-01 -5.192350917e-01 4.26 -4.988549857e-01 -4.988549857e-01 4.28 -4.783768967e-01 -4.783768967e-01 4.30 -4.578508861e-01 -4.578508861e-01 4.32 -4.373469093e-01 -4.373469093e-01 4.34 -4.169302417e-01 -4.169302417e-01 4.36 -3.966299540e-01 -3.966299540e-01 4.38 -3.764714832e-01 -3.764714832e-01 4.40 -3.566079983e-01 -3.566079983e-01 4.42 -3.371655674e-01 -3.371655674e-01 4.44 -3.182405689e-01 -3.182405689e-01 4.46 -2.999047801e-01 -2.999047801e-01 4.48 -2.822096803e-01 -2.822096803e-01 4.50 -2.651900835e-01 -2.651900835e-01 4.52 -2.488671990e-01 -2.488671990e-01 4.54 -2.332512055e-01 -2.332512055e-01 4.56 -2.183432394e-01 -2.183432394e-01 4.58 -2.041230793e-01 -2.041230793e-01 4.60 -1.909910641e-01 -1.909910641e-01 4.62 -1.788893993e-01 -1.788893993e-01 4.64 -1.673845853e-01 -1.673845853e-01 4.66 -1.564719276e-01 -1.564719276e-01 4.68 -1.461308561e-01 -1.461308561e-01 4.70 -1.363396013e-01 -1.363396013e-01 4.72 -1.270756977e-01 -1.270756977e-01 4.74 -1.183163436e-01 -1.183163436e-01 4.76 -1.100386907e-01 -1.100386907e-01 4.78 -1.022200740e-01 -1.022200740e-01 4.80 -9.483207716e-02 -9.483207716e-02 4.82 -8.803984036e-02 -8.803984036e-02 4.84 -8.169902462e-02 -8.169902462e-02 4.86 -7.571320017e-02 -7.571320017e-02 4.88 -7.006387519e-02 -7.006387519e-02 4.90 -6.473328222e-02 -6.473328222e-02 4.92 -5.970439393e-02 -5.970439393e-02 4.94 -5.496092894e-02 -5.496092894e-02 4.96 -5.048734876e-02 -5.048734876e-02 4.98 -4.626884855e-02 -4.626884855e-02 5.00 -4.229134268e-02 -4.229134268e-02 5.02 -3.854144733e-02 -3.854144733e-02 5.04 -3.500645966e-02 -3.500645966e-02 5.06 -3.167433386e-02 -3.167433386e-02 5.08 -2.853365686e-02 -2.853365686e-02 5.10 -2.557362290e-02 -2.557362290e-02 5.12 -2.278400791e-02 -2.278400791e-02 5.14 -2.015514327e-02 -2.015514327e-02 5.16 -1.767788982e-02 -1.767788982e-02 5.18 -1.534361234e-02 -1.534361234e-02 5.20 -1.314415471e-02 -1.314415471e-02 5.22 -1.107181581e-02 -1.107181581e-02 5.24 -9.119325649e-03 -9.119325649e-03 5.26 -7.279790827e-03 -7.279790827e-03 5.28 -5.548817025e-03 -5.548817025e-03 5.30 -3.965394625e-03 -3.965394625e-03 5.32 -3.479846589e-03 -3.479846589e-03 5.34 -3.056936425e-03 -3.056936425e-03 5.36 -2.668063381e-03 -2.668063381e-03 5.38 -2.303558984e-03 -2.303558984e-03 5.40 -1.961928675e-03 -1.961928675e-03 5.42 -1.641767613e-03 -1.641767613e-03 5.44 -1.341755374e-03 -1.341755374e-03 5.46 -1.060650981e-03 -1.060650981e-03 5.48 -7.972882362e-04 -7.972882362e-04 5.50 -5.505713268e-04 -5.505713268e-04 5.52 -3.194706283e-04 -3.194706283e-04 5.54 -1.016341197e-04 -1.016341197e-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