# 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 = CuPdPt2 # 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 9.603674226e+02 9.603674226e+02 0.98 8.776314836e+02 8.776314836e+02 1.00 8.026755267e+02 8.026755267e+02 1.02 7.346919993e+02 7.346919993e+02 1.04 6.729720037e+02 6.729720037e+02 1.06 6.168868504e+02 6.168868504e+02 1.08 5.658723291e+02 5.658723291e+02 1.10 5.194302792e+02 5.194302792e+02 1.12 4.771136237e+02 4.771136237e+02 1.14 4.385221826e+02 4.385221826e+02 1.16 4.032962239e+02 4.032962239e+02 1.18 3.711171907e+02 3.711171907e+02 1.20 3.416976941e+02 3.416976941e+02 1.22 3.147786508e+02 3.147786508e+02 1.24 2.901279574e+02 2.901279574e+02 1.26 2.675354248e+02 2.675354248e+02 1.28 2.468126012e+02 2.468126012e+02 1.30 2.277882140e+02 2.277882140e+02 1.32 2.103099855e+02 2.103099855e+02 1.34 1.942393769e+02 1.942393769e+02 1.36 1.794505718e+02 1.794505718e+02 1.38 1.658295847e+02 1.658295847e+02 1.40 1.532747589e+02 1.532747589e+02 1.42 1.416930906e+02 1.416930906e+02 1.44 1.310012916e+02 1.310012916e+02 1.46 1.211235226e+02 1.211235226e+02 1.48 1.119903983e+02 1.119903983e+02 1.50 1.035389271e+02 1.035389271e+02 1.52 9.571216867e+01 9.571216867e+01 1.54 8.845786412e+01 8.845786412e+01 1.56 8.172925309e+01 8.172925309e+01 1.58 7.548388473e+01 7.548388473e+01 1.60 6.968356947e+01 6.968356947e+01 1.62 6.429292755e+01 6.429292755e+01 1.64 5.927972666e+01 5.927972666e+01 1.66 5.461469098e+01 5.461469098e+01 1.68 5.027088158e+01 5.027088158e+01 1.70 4.622357846e+01 4.622357846e+01 1.72 4.245038954e+01 4.245038954e+01 1.74 3.893082367e+01 3.893082367e+01 1.76 3.564552963e+01 3.564552963e+01 1.78 3.257699530e+01 3.257699530e+01 1.80 2.971361562e+01 2.971361562e+01 1.82 2.704058271e+01 2.704058271e+01 1.84 2.455316848e+01 2.455316848e+01 1.86 2.223861878e+01 2.223861878e+01 1.88 2.008513074e+01 2.008513074e+01 1.90 1.806476128e+01 1.806476128e+01 1.92 1.619183148e+01 1.619183148e+01 1.94 1.444253912e+01 1.444253912e+01 1.96 1.280976084e+01 1.280976084e+01 1.98 1.128696181e+01 1.128696181e+01 2.00 9.867937593e+00 9.867937593e+00 2.02 8.546952279e+00 8.546952279e+00 2.04 7.318642659e+00 7.318642659e+00 2.06 6.177731869e+00 6.177731869e+00 2.08 5.119251881e+00 5.119251881e+00 2.10 4.138989798e+00 4.138989798e+00 2.12 3.232208477e+00 3.232208477e+00 2.14 2.394975272e+00 2.394975272e+00 2.16 1.623335599e+00 1.623335599e+00 2.18 9.136452564e-01 9.136452564e-01 2.20 2.623096095e-01 2.623096095e-01 2.22 -3.340865680e-01 -3.340865680e-01 2.24 -8.784918960e-01 -8.784918960e-01 2.26 -1.374401900e+00 -1.374401900e+00 2.28 -1.824210988e+00 -1.824210988e+00 2.30 -2.231367800e+00 -2.231367800e+00 2.32 -2.598872728e+00 -2.598872728e+00 2.34 -2.929152210e+00 -2.929152210e+00 2.36 -3.224651492e+00 -3.224651492e+00 2.38 -3.487692955e+00 -3.487692955e+00 2.40 -3.720457894e+00 -3.720457894e+00 2.42 -3.924762082e+00 -3.924762082e+00 2.44 -4.102876518e+00 -4.102876518e+00 2.46 -4.256672750e+00 -4.256672750e+00 2.48 -4.387975741e+00 -4.387975741e+00 2.50 -4.498386276e+00 -4.498386276e+00 2.52 -4.588907610e+00 -4.588907610e+00 2.54 -4.661654108e+00 -4.661654108e+00 2.56 -4.718025625e+00 -4.718025625e+00 2.58 -4.759316575e+00 -4.759316575e+00 2.60 -4.787747294e+00 -4.787747294e+00 2.62 -4.803799030e+00 -4.803799030e+00 2.64 -4.808263188e+00 -4.808263188e+00 2.66 -4.802412969e+00 -4.802412969e+00 2.68 -4.786982085e+00 -4.786982085e+00 2.70 -4.762730317e+00 -4.762730317e+00 2.72 -4.730555905e+00 -4.730555905e+00 2.74 -4.691233517e+00 -4.691233517e+00 2.76 -4.645490144e+00 -4.645490144e+00 2.78 -4.594931112e+00 -4.594931112e+00 2.80 -4.539798708e+00 -4.539798708e+00 2.82 -4.480044222e+00 -4.480044222e+00 2.84 -4.416210714e+00 -4.416210714e+00 2.86 -4.348643352e+00 -4.348643352e+00 2.88 -4.277348448e+00 -4.277348448e+00 2.90 -4.203372624e+00 -4.203372624e+00 2.92 -4.125838511e+00 -4.125838511e+00 2.94 -4.046394708e+00 -4.046394708e+00 2.96 -3.965474764e+00 -3.965474764e+00 2.98 -3.883380357e+00 -3.883380357e+00 3.00 -3.800391036e+00 -3.800391036e+00 3.02 -3.716764495e+00 -3.716764495e+00 3.04 -3.632914347e+00 -3.632914347e+00 3.06 -3.548935266e+00 -3.548935266e+00 3.08 -3.464381801e+00 -3.464381801e+00 3.10 -3.380019879e+00 -3.380019879e+00 3.12 -3.296020603e+00 -3.296020603e+00 3.14 -3.212525173e+00 -3.212525173e+00 3.16 -3.129663020e+00 -3.129663020e+00 3.18 -3.047549920e+00 -3.047549920e+00 3.20 -2.966289343e+00 -2.966289343e+00 3.22 -2.885973381e+00 -2.885973381e+00 3.24 -2.806675940e+00 -2.806675940e+00 3.26 -2.729397487e+00 -2.729397487e+00 3.28 -2.653559498e+00 -2.653559498e+00 3.30 -2.578868357e+00 -2.578868357e+00 3.32 -2.505375625e+00 -2.505375625e+00 3.34 -2.433125346e+00 -2.433125346e+00 3.36 -2.362155030e+00 -2.362155030e+00 3.38 -2.292496506e+00 -2.292496506e+00 3.40 -2.224175070e+00 -2.224175070e+00 3.42 -2.157210163e+00 -2.157210163e+00 3.44 -2.091627220e+00 -2.091627220e+00 3.46 -2.027425422e+00 -2.027425422e+00 3.48 -1.964588983e+00 -1.964588983e+00 3.50 -1.903106377e+00 -1.903106377e+00 3.52 -1.842906989e+00 -1.842906989e+00 3.54 -1.783998349e+00 -1.783998349e+00 3.56 -1.726458203e+00 -1.726458203e+00 3.58 -1.670240279e+00 -1.670240279e+00 3.60 -1.615260211e+00 -1.615260211e+00 3.62 -1.561509697e+00 -1.561509697e+00 3.64 -1.509070526e+00 -1.509070526e+00 3.66 -1.458010157e+00 -1.458010157e+00 3.68 -1.408305515e+00 -1.408305515e+00 3.70 -1.359881183e+00 -1.359881183e+00 3.72 -1.312683820e+00 -1.312683820e+00 3.74 -1.266705720e+00 -1.266705720e+00 3.76 -1.221965012e+00 -1.221965012e+00 3.78 -1.178477625e+00 -1.178477625e+00 3.80 -1.136235644e+00 -1.136235644e+00 3.82 -1.095207347e+00 -1.095207347e+00 3.84 -1.055348432e+00 -1.055348432e+00 3.86 -1.016635011e+00 -1.016635011e+00 3.88 -9.790502643e-01 -9.790502643e-01 3.90 -9.425714249e-01 -9.425714249e-01 3.92 -9.071836235e-01 -9.071836235e-01 3.94 -8.728189511e-01 -8.728189511e-01 3.96 -8.394092589e-01 -8.394092589e-01 3.98 -8.069844678e-01 -8.069844678e-01 4.00 -7.755282772e-01 -7.755282772e-01 4.02 -7.450461983e-01 -7.450461983e-01 4.04 -7.155759744e-01 -7.155759744e-01 4.06 -6.871420544e-01 -6.871420544e-01 4.08 -6.597728620e-01 -6.597728620e-01 4.10 -6.335518718e-01 -6.335518718e-01 4.12 -6.083606255e-01 -6.083606255e-01 4.14 -5.840925092e-01 -5.840925092e-01 4.16 -5.606298455e-01 -5.606298455e-01 4.18 -5.378067934e-01 -5.378067934e-01 4.20 -5.154933869e-01 -5.154933869e-01 4.22 -4.935963957e-01 -4.935963957e-01 4.24 -4.720519074e-01 -4.720519074e-01 4.26 -4.508190202e-01 -4.508190202e-01 4.28 -4.298534972e-01 -4.298534972e-01 4.30 -4.095728447e-01 -4.095728447e-01 4.32 -3.897329828e-01 -3.897329828e-01 4.34 -3.701173332e-01 -3.701173332e-01 4.36 -3.507908226e-01 -3.507908226e-01 4.38 -3.318114095e-01 -3.318114095e-01 4.40 -3.132462428e-01 -3.132462428e-01 4.42 -2.951753670e-01 -2.951753670e-01 4.44 -2.776587560e-01 -2.776587560e-01 4.46 -2.607394866e-01 -2.607394866e-01 4.48 -2.444466910e-01 -2.444466910e-01 4.50 -2.287980578e-01 -2.287980578e-01 4.52 -2.138019459e-01 -2.138019459e-01 4.54 -1.994591688e-01 -1.994591688e-01 4.56 -1.857644942e-01 -1.857644942e-01 4.58 -1.727106876e-01 -1.727106876e-01 4.60 -1.608647341e-01 -1.608647341e-01 4.62 -1.501566024e-01 -1.501566024e-01 4.64 -1.399671998e-01 -1.399671998e-01 4.66 -1.302787592e-01 -1.302787592e-01 4.68 -1.210728248e-01 -1.210728248e-01 4.70 -1.123305423e-01 -1.123305423e-01 4.72 -1.040328958e-01 -1.040328958e-01 4.74 -9.616090090e-02 -9.616090090e-02 4.76 -8.869575884e-02 -8.869575884e-02 4.78 -8.161897948e-02 -8.161897948e-02 4.80 -7.491247755e-02 -7.491247755e-02 4.82 -6.855864643e-02 -6.855864643e-02 4.84 -6.254041325e-02 -6.254041325e-02 4.86 -5.684127829e-02 -5.684127829e-02 4.88 -5.144534237e-02 -5.144534237e-02 4.90 -4.633732258e-02 -4.633732258e-02 4.92 -4.150216557e-02 -4.150216557e-02 4.94 -3.688958998e-02 -3.688958998e-02 4.96 -3.316887841e-02 -3.316887841e-02 4.98 -3.025138813e-02 -3.025138813e-02 5.00 -2.746578179e-02 -2.746578179e-02 5.02 -2.483118071e-02 -2.483118071e-02 5.04 -2.233977967e-02 -2.233977967e-02 5.06 -1.998398340e-02 -1.998398340e-02 5.08 -1.775657702e-02 -1.775657702e-02 5.10 -1.565071035e-02 -1.565071035e-02 5.12 -1.365988233e-02 -1.365988233e-02 5.14 -1.177792552e-02 -1.177792552e-02 5.16 -9.998990992e-03 -9.998990992e-03 5.18 -8.317533482e-03 -8.317533482e-03 5.20 -6.728296992e-03 -6.728296992e-03 5.22 -5.226300813e-03 -5.226300813e-03 5.24 -3.806826051e-03 -3.806826051e-03 5.26 -2.465402670e-03 -2.465402670e-03 5.28 -1.198572468e-03 -1.198572468e-03 5.30 -1.875982280e-15 -1.875063387e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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