# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuNi2W # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.387801816e+02 2.387801816e+02 1.30 2.199081473e+02 2.199081473e+02 1.32 2.024890413e+02 2.024890413e+02 1.34 1.864141686e+02 1.864141686e+02 1.36 1.715852222e+02 1.715852222e+02 1.38 1.579098467e+02 1.579098467e+02 1.40 1.452986067e+02 1.452986067e+02 1.42 1.336645744e+02 1.336645744e+02 1.44 1.229248229e+02 1.229248229e+02 1.46 1.130023352e+02 1.130023352e+02 1.48 1.038273606e+02 1.038273606e+02 1.50 9.533787057e+01 9.533787057e+01 1.52 8.747907033e+01 8.747907033e+01 1.54 8.020220837e+01 8.020220837e+01 1.56 7.346318471e+01 7.346318471e+01 1.58 6.722144736e+01 6.722144736e+01 1.60 6.143942495e+01 6.143942495e+01 1.62 5.608243125e+01 5.608243125e+01 1.64 5.111872648e+01 5.111872648e+01 1.66 4.651943358e+01 4.651943358e+01 1.68 4.225826295e+01 4.225826295e+01 1.70 3.831116785e+01 3.831116785e+01 1.72 3.465608953e+01 3.465608953e+01 1.74 3.127310552e+01 3.127310552e+01 1.76 2.814456624e+01 2.814456624e+01 1.78 2.526395003e+01 2.526395003e+01 1.80 2.261504675e+01 2.261504675e+01 1.82 2.017966828e+01 2.017966828e+01 1.84 1.794067094e+01 1.794067094e+01 1.86 1.588213821e+01 1.588213821e+01 1.88 1.398954177e+01 1.398954177e+01 1.90 1.224976649e+01 1.224976649e+01 1.92 1.065098986e+01 1.065098986e+01 1.94 9.182489270e+00 9.182489270e+00 1.96 7.834461402e+00 7.834461402e+00 1.98 6.597894341e+00 6.597894341e+00 2.00 5.464480354e+00 5.464480354e+00 2.02 4.426536036e+00 4.426536036e+00 2.04 3.476910699e+00 3.476910699e+00 2.06 2.608889658e+00 2.608889658e+00 2.08 1.816114572e+00 1.816114572e+00 2.10 1.092541977e+00 1.092541977e+00 2.12 4.324475003e-01 4.324475003e-01 2.14 -1.695343284e-01 -1.695343284e-01 2.16 -7.183575348e-01 -7.183575348e-01 2.18 -1.218524560e+00 -1.218524560e+00 2.20 -1.674075210e+00 -1.674075210e+00 2.22 -2.088607450e+00 -2.088607450e+00 2.24 -2.465321274e+00 -2.465321274e+00 2.26 -2.807073431e+00 -2.807073431e+00 2.28 -3.116351678e+00 -3.116351678e+00 2.30 -3.395504195e+00 -3.395504195e+00 2.32 -3.646854351e+00 -3.646854351e+00 2.34 -3.872551894e+00 -3.872551894e+00 2.36 -4.074604531e+00 -4.074604531e+00 2.38 -4.254884318e+00 -4.254884318e+00 2.40 -4.415112063e+00 -4.415112063e+00 2.42 -4.556643593e+00 -4.556643593e+00 2.44 -4.680494906e+00 -4.680494906e+00 2.46 -4.787663999e+00 -4.787663999e+00 2.48 -4.879136506e+00 -4.879136506e+00 2.50 -4.955877839e+00 -4.955877839e+00 2.52 -5.018828743e+00 -5.018828743e+00 2.54 -5.068901116e+00 -5.068901116e+00 2.56 -5.106973553e+00 -5.106973553e+00 2.58 -5.133887182e+00 -5.133887182e+00 2.60 -5.150442225e+00 -5.150442225e+00 2.62 -5.157395577e+00 -5.157395577e+00 2.64 -5.155460000e+00 -5.155460000e+00 2.66 -5.145306791e+00 -5.145306791e+00 2.68 -5.127565690e+00 -5.127565690e+00 2.70 -5.102849266e+00 -5.102849266e+00 2.72 -5.071824614e+00 -5.071824614e+00 2.74 -5.034967099e+00 -5.034967099e+00 2.76 -4.992704105e+00 -4.992704105e+00 2.78 -4.945449022e+00 -4.945449022e+00 2.80 -4.893584344e+00 -4.893584344e+00 2.82 -4.837315598e+00 -4.837315598e+00 2.84 -4.776663954e+00 -4.776663954e+00 2.86 -4.711662982e+00 -4.711662982e+00 2.88 -4.642382742e+00 -4.642382742e+00 2.90 -4.568940014e+00 -4.568940014e+00 2.92 -4.491503517e+00 -4.491503517e+00 2.94 -4.410299004e+00 -4.410299004e+00 2.96 -4.325612170e+00 -4.325612170e+00 2.98 -4.237787625e+00 -4.237787625e+00 3.00 -4.147222715e+00 -4.147222715e+00 3.02 -4.054355665e+00 -4.054355665e+00 3.04 -3.959648419e+00 -3.959648419e+00 3.06 -3.863565577e+00 -3.863565577e+00 3.08 -3.766551756e+00 -3.766551756e+00 3.10 -3.669010333e+00 -3.669010333e+00 3.12 -3.571286432e+00 -3.571286432e+00 3.14 -3.473656346e+00 -3.473656346e+00 3.16 -3.376324306e+00 -3.376324306e+00 3.18 -3.279426236e+00 -3.279426236e+00 3.20 -3.183039058e+00 -3.183039058e+00 3.22 -3.087193629e+00 -3.087193629e+00 3.24 -2.991889429e+00 -2.991889429e+00 3.26 -2.897109504e+00 -2.897109504e+00 3.28 -2.802834614e+00 -2.802834614e+00 3.30 -2.709055960e+00 -2.709055960e+00 3.32 -2.615786119e+00 -2.615786119e+00 3.34 -2.523067882e+00 -2.523067882e+00 3.36 -2.430980702e+00 -2.430980702e+00 3.38 -2.339644421e+00 -2.339644421e+00 3.40 -2.249219926e+00 -2.249219926e+00 3.42 -2.159906506e+00 -2.159906506e+00 3.44 -2.071935850e+00 -2.071935850e+00 3.46 -1.985562953e+00 -1.985562953e+00 3.48 -1.901054542e+00 -1.901054542e+00 3.50 -1.818675957e+00 -1.818675957e+00 3.52 -1.738677670e+00 -1.738677670e+00 3.54 -1.661282698e+00 -1.661282698e+00 3.56 -1.586676057e+00 -1.586676057e+00 3.58 -1.514997124e+00 -1.514997124e+00 3.60 -1.446335404e+00 -1.446335404e+00 3.62 -1.380729793e+00 -1.380729793e+00 3.64 -1.318171028e+00 -1.318171028e+00 3.66 -1.258606792e+00 -1.258606792e+00 3.68 -1.201948741e+00 -1.201948741e+00 3.70 -1.148080723e+00 -1.148080723e+00 3.72 -1.096867474e+00 -1.096867474e+00 3.74 -1.048163175e+00 -1.048163175e+00 3.76 -1.001819352e+00 -1.001819352e+00 3.78 -9.576917014e-01 -9.576917014e-01 3.80 -9.156454853e-01 -9.156454853e-01 3.82 -8.755592231e-01 -8.755592231e-01 3.84 -8.373265081e-01 -8.373265081e-01 3.86 -8.008559132e-01 -8.008559132e-01 3.88 -7.660691440e-01 -7.660691440e-01 3.90 -7.328978160e-01 -7.328978160e-01 3.92 -7.012794236e-01 -7.012794236e-01 3.94 -6.711531825e-01 -6.711531825e-01 3.96 -6.424563951e-01 -6.424563951e-01 3.98 -6.151218486e-01 -6.151218486e-01 4.00 -5.890764947e-01 -5.890764947e-01 4.02 -5.642414012e-01 -5.642414012e-01 4.04 -5.405327486e-01 -5.405327486e-01 4.06 -5.178635273e-01 -5.178635273e-01 4.08 -4.961455691e-01 -4.961455691e-01 4.10 -4.752916082e-01 -4.752916082e-01 4.12 -4.552171658e-01 -4.552171658e-01 4.14 -4.358421368e-01 -4.358421368e-01 4.16 -4.170920711e-01 -4.170920711e-01 4.18 -3.988991584e-01 -3.988991584e-01 4.20 -3.812029735e-01 -3.812029735e-01 4.22 -3.639510344e-01 -3.639510344e-01 4.24 -3.470992164e-01 -3.470992164e-01 4.26 -3.306120548e-01 -3.306120548e-01 4.28 -3.144629529e-01 -3.144629529e-01 4.30 -2.986343032e-01 -2.986343032e-01 4.32 -2.831175197e-01 -2.831175197e-01 4.34 -2.679129666e-01 -2.679129666e-01 4.36 -2.530297515e-01 -2.530297515e-01 4.38 -2.384853280e-01 -2.384853280e-01 4.40 -2.243048325e-01 -2.243048325e-01 4.42 -2.105200645e-01 -2.105200645e-01 4.44 -1.971680323e-01 -1.971680323e-01 4.46 -1.842890267e-01 -1.842890267e-01 4.48 -1.719242603e-01 -1.719242603e-01 4.50 -1.601132012e-01 -1.601132012e-01 4.52 -1.488908183e-01 -1.488908183e-01 4.54 -1.382850164e-01 -1.382850164e-01 4.56 -1.283145414e-01 -1.283145414e-01 4.58 -1.189875896e-01 -1.189875896e-01 4.60 -1.103012523e-01 -1.103012523e-01 4.62 -1.022418126e-01 -1.022418126e-01 4.64 -9.478579288e-02 -9.478579288e-02 4.66 -8.790157183e-02 -8.790157183e-02 4.68 -8.155134693e-02 -8.155134693e-02 4.70 -7.569322490e-02 -7.569322490e-02 4.72 -7.028324158e-02 -7.028324158e-02 4.74 -6.527691469e-02 -6.527691469e-02 4.76 -6.063123839e-02 -6.063123839e-02 4.78 -5.630623675e-02 -5.630623675e-02 4.80 -5.226524154e-02 -5.226524154e-02 4.82 -4.847552609e-02 -4.847552609e-02 4.84 -4.490873487e-02 -4.490873487e-02 4.86 -4.154106607e-02 -4.154106607e-02 4.88 -3.835324128e-02 -3.835324128e-02 4.90 -3.533030035e-02 -3.533030035e-02 4.92 -3.246124907e-02 -3.246124907e-02 4.94 -2.973858492e-02 -2.973858492e-02 4.96 -2.715772674e-02 -2.715772674e-02 4.98 -2.471637555e-02 -2.471637555e-02 5.00 -2.241384184e-02 -2.241384184e-02 5.02 -2.025037588e-02 -2.025037588e-02 5.04 -1.822653852e-02 -1.822653852e-02 5.06 -1.634264921e-02 -1.634264921e-02 5.08 -1.459834016e-02 -1.459834016e-02 5.10 -1.299203909e-02 -1.299203909e-02 5.12 -1.152107923e-02 -1.152107923e-02 5.14 -1.018182002e-02 -1.018182002e-02 5.16 -8.969351129e-03 -8.969351129e-03 5.18 -7.877642428e-03 -7.877642428e-03 5.20 -6.899754452e-03 -6.899754452e-03 5.22 -6.028080358e-03 -6.028080358e-03 5.24 -5.254594642e-03 -5.254594642e-03 5.26 -4.571089081e-03 -4.571089081e-03 5.28 -3.969382210e-03 -3.969382210e-03 5.30 -3.441494331e-03 -3.441494331e-03 5.32 -2.979784895e-03 -2.979784895e-03 5.34 -2.577052795e-03 -2.577052795e-03 5.36 -2.226602729e-03 -2.226602729e-03 5.38 -1.922282216e-03 -1.922282216e-03 5.40 -1.658494559e-03 -1.658494559e-03 5.42 -1.430193007e-03 -1.430193007e-03 5.44 -1.232861032e-03 -1.232861032e-03 5.46 -1.062482961e-03 -1.062482961e-03 5.48 -9.155085155e-04 -9.155085155e-04 5.50 -7.888140978e-04 -7.888140978e-04 5.52 -6.796629651e-04 -6.796629651e-04 5.54 -5.856658919e-04 -5.856658919e-04 5.56 -5.047434143e-04 -5.047434143e-04 5.58 -4.350903763e-04 -4.350903763e-04 5.60 -3.751431974e-04 -3.751431974e-04 5.62 -3.235500550e-04 -3.235500550e-04 5.64 -2.791440173e-04 -2.791440173e-04 5.66 -2.409190475e-04 -2.409190475e-04 5.68 -2.080087298e-04 -2.080087298e-04 5.70 -1.796675233e-04 -1.796675233e-04 5.72 -1.552543259e-04 -1.552543259e-04 5.74 -1.342181249e-04 -1.342181249e-04 5.76 -1.160855148e-04 -1.160855148e-04 5.78 -1.004498695e-04 -1.004498695e-04 5.80 -8.696197490e-05 -8.696197490e-05 5.82 -7.532194017e-05 -7.532194017e-05 5.84 -6.527222621e-05 -6.527222621e-05 5.86 -5.659164453e-05 -5.659164453e-05 5.88 -4.909019800e-05 -4.909019800e-05 5.90 -4.260464925e-05 -4.260464925e-05 5.92 -3.699471693e-05 -3.699471693e-05 5.94 -3.213981269e-05 -3.213981269e-05 5.96 -2.793624326e-05 -2.793624326e-05 5.98 -2.429481201e-05 -2.429481201e-05 6.00 -2.113876331e-05 -2.113876331e-05