# 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 = CoFe2Pb # 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 2.427456908e+02 2.427456908e+02 1.30 2.236593300e+02 2.236593300e+02 1.32 2.060697424e+02 2.060697424e+02 1.34 1.898528161e+02 1.898528161e+02 1.36 1.748957814e+02 1.748957814e+02 1.38 1.610954919e+02 1.610954919e+02 1.40 1.483577358e+02 1.483577358e+02 1.42 1.365970333e+02 1.365970333e+02 1.44 1.257360836e+02 1.257360836e+02 1.46 1.157046562e+02 1.157046562e+02 1.48 1.064384569e+02 1.064384569e+02 1.50 9.787839366e+01 9.787839366e+01 1.52 8.997005327e+01 8.997005327e+01 1.54 8.266307351e+01 8.266307351e+01 1.56 7.591050312e+01 7.591050312e+01 1.58 6.966840706e+01 6.966840706e+01 1.60 6.389575778e+01 6.389575778e+01 1.62 5.855454683e+01 5.855454683e+01 1.64 5.360990406e+01 5.360990406e+01 1.66 4.903166510e+01 4.903166510e+01 1.68 4.480071257e+01 4.480071257e+01 1.70 4.089314361e+01 4.089314361e+01 1.72 3.728603850e+01 3.728603850e+01 1.74 3.395836552e+01 3.395836552e+01 1.76 3.089028991e+01 3.089028991e+01 1.78 2.806279898e+01 2.806279898e+01 1.80 2.545767669e+01 2.545767669e+01 1.82 2.305769685e+01 2.305769685e+01 1.84 2.084682385e+01 2.084682385e+01 1.86 1.881030873e+01 1.881030873e+01 1.88 1.693466581e+01 1.693466581e+01 1.90 1.520754902e+01 1.520754902e+01 1.92 1.361757604e+01 1.361757604e+01 1.94 1.215414374e+01 1.215414374e+01 1.96 1.080726325e+01 1.080726325e+01 1.98 9.567473898e+00 9.567473898e+00 2.00 8.425849426e+00 8.425849426e+00 2.02 7.374075850e+00 7.374075850e+00 2.04 6.404543778e+00 6.404543778e+00 2.06 5.510407920e+00 5.510407920e+00 2.08 4.685591265e+00 4.685591265e+00 2.10 3.924736713e+00 3.924736713e+00 2.12 3.223118427e+00 3.223118427e+00 2.14 2.576529924e+00 2.576529924e+00 2.16 1.981175577e+00 1.981175577e+00 2.18 1.433580676e+00 1.433580676e+00 2.20 9.305252168e-01 9.305252168e-01 2.22 4.690015597e-01 4.690015597e-01 2.24 4.618728201e-02 4.618728201e-02 2.26 -3.405716261e-01 -3.405716261e-01 2.28 -6.937749099e-01 -6.937749099e-01 2.30 -1.015773304e+00 -1.015773304e+00 2.32 -1.308782088e+00 -1.308782088e+00 2.34 -1.574881197e+00 -1.574881197e+00 2.36 -1.816023133e+00 -1.816023133e+00 2.38 -2.034033689e+00 -2.034033689e+00 2.40 -2.230612434e+00 -2.230612434e+00 2.42 -2.407342085e+00 -2.407342085e+00 2.44 -2.565721234e+00 -2.565721234e+00 2.46 -2.707041488e+00 -2.707041488e+00 2.48 -2.832488531e+00 -2.832488531e+00 2.50 -2.943175124e+00 -2.943175124e+00 2.52 -3.040153832e+00 -3.040153832e+00 2.54 -3.124428984e+00 -3.124428984e+00 2.56 -3.196965410e+00 -3.196965410e+00 2.58 -3.258677248e+00 -3.258677248e+00 2.60 -3.310359000e+00 -3.310359000e+00 2.62 -3.352757970e+00 -3.352757970e+00 2.64 -3.386584420e+00 -3.386584420e+00 2.66 -3.412495488e+00 -3.412495488e+00 2.68 -3.431092916e+00 -3.431092916e+00 2.70 -3.442925169e+00 -3.442925169e+00 2.72 -3.448473004e+00 -3.448473004e+00 2.74 -3.447945152e+00 -3.447945152e+00 2.76 -3.441429753e+00 -3.441429753e+00 2.78 -3.429065353e+00 -3.429065353e+00 2.80 -3.411042887e+00 -3.411042887e+00 2.82 -3.387601441e+00 -3.387601441e+00 2.84 -3.359025452e+00 -3.359025452e+00 2.86 -3.325637731e+00 -3.325637731e+00 2.88 -3.287790119e+00 -3.287790119e+00 2.90 -3.245852079e+00 -3.245852079e+00 2.92 -3.200221397e+00 -3.200221397e+00 2.94 -3.151288948e+00 -3.151288948e+00 2.96 -3.099345430e+00 -3.099345430e+00 2.98 -3.044672350e+00 -3.044672350e+00 3.00 -2.987540440e+00 -2.987540440e+00 3.02 -2.928206173e+00 -2.928206173e+00 3.04 -2.866908280e+00 -2.866908280e+00 3.06 -2.803853324e+00 -2.803853324e+00 3.08 -2.739211139e+00 -2.739211139e+00 3.10 -2.673139657e+00 -2.673139657e+00 3.12 -2.605787570e+00 -2.605787570e+00 3.14 -2.537304082e+00 -2.537304082e+00 3.16 -2.467842821e+00 -2.467842821e+00 3.18 -2.397575170e+00 -2.397575170e+00 3.20 -2.326697792e+00 -2.326697792e+00 3.22 -2.255438211e+00 -2.255438211e+00 3.24 -2.184056373e+00 -2.184056373e+00 3.26 -2.112841798e+00 -2.112841798e+00 3.28 -2.042106517e+00 -2.042106517e+00 3.30 -1.972174437e+00 -1.972174437e+00 3.32 -1.903368198e+00 -1.903368198e+00 3.34 -1.835994892e+00 -1.835994892e+00 3.36 -1.770332216e+00 -1.770332216e+00 3.38 -1.706616623e+00 -1.706616623e+00 3.40 -1.645034452e+00 -1.645034452e+00 3.42 -1.585718536e+00 -1.585718536e+00 3.44 -1.528745967e+00 -1.528745967e+00 3.46 -1.474142730e+00 -1.474142730e+00 3.48 -1.421889557e+00 -1.421889557e+00 3.50 -1.371929944e+00 -1.371929944e+00 3.52 -1.324178940e+00 -1.324178940e+00 3.54 -1.278531851e+00 -1.278531851e+00 3.56 -1.234872207e+00 -1.234872207e+00 3.58 -1.193078635e+00 -1.193078635e+00 3.60 -1.153030449e+00 -1.153030449e+00 3.62 -1.114611942e+00 -1.114611942e+00 3.64 -1.077715451e+00 -1.077715451e+00 3.66 -1.042243288e+00 -1.042243288e+00 3.68 -1.008108664e+00 -1.008108664e+00 3.70 -9.752357126e-01 -9.752357126e-01 3.72 -9.435587610e-01 -9.435587610e-01 3.74 -9.130209951e-01 -9.130209951e-01 3.76 -8.835727271e-01 -8.835727271e-01 3.78 -8.551694954e-01 -8.551694954e-01 3.80 -8.277702352e-01 -8.277702352e-01 3.82 -8.013357285e-01 -8.013357285e-01 3.84 -7.758274724e-01 -7.758274724e-01 3.86 -7.512070185e-01 -7.512070185e-01 3.88 -7.274357456e-01 -7.274357456e-01 3.90 -7.044749709e-01 -7.044749709e-01 3.92 -6.822859113e-01 -6.822859113e-01 3.94 -6.608315973e-01 -6.608315973e-01 3.96 -6.400749025e-01 -6.400749025e-01 3.98 -6.199805527e-01 -6.199805527e-01 4.00 -6.005149304e-01 -6.005149304e-01 4.02 -5.816462395e-01 -5.816462395e-01 4.04 -5.633446082e-01 -5.633446082e-01 4.06 -5.455821579e-01 -5.455821579e-01 4.08 -5.283330724e-01 -5.283330724e-01 4.10 -5.115724178e-01 -5.115724178e-01 4.12 -4.952815945e-01 -4.952815945e-01 4.14 -4.794401475e-01 -4.794401475e-01 4.16 -4.640318490e-01 -4.640318490e-01 4.18 -4.490433525e-01 -4.490433525e-01 4.20 -4.344643567e-01 -4.344643567e-01 4.22 -4.202876596e-01 -4.202876596e-01 4.24 -4.065090378e-01 -4.065090378e-01 4.26 -3.931268989e-01 -3.931268989e-01 4.28 -3.801416774e-01 -3.801416774e-01 4.30 -3.675550013e-01 -3.675550013e-01 4.32 -3.553687014e-01 -3.553687014e-01 4.34 -3.435837788e-01 -3.435837788e-01 4.36 -3.321991963e-01 -3.321991963e-01 4.38 -3.212112539e-01 -3.212112539e-01 4.40 -3.106143125e-01 -3.106143125e-01 4.42 -3.003996125e-01 -3.003996125e-01 4.44 -2.905554797e-01 -2.905554797e-01 4.46 -2.810678194e-01 -2.810678194e-01 4.48 -2.719207299e-01 -2.719207299e-01 4.50 -2.630971381e-01 -2.630971381e-01 4.52 -2.545793828e-01 -2.545793828e-01 4.54 -2.463497004e-01 -2.463497004e-01 4.56 -2.383905967e-01 -2.383905967e-01 4.58 -2.306851079e-01 -2.306851079e-01 4.60 -2.232169668e-01 -2.232169668e-01 4.62 -2.159706987e-01 -2.159706987e-01 4.64 -2.089316708e-01 -2.089316708e-01 4.66 -2.020861191e-01 -2.020861191e-01 4.68 -1.954211709e-01 -1.954211709e-01 4.70 -1.889248806e-01 -1.889248806e-01 4.72 -1.825862891e-01 -1.825862891e-01 4.74 -1.763955127e-01 -1.763955127e-01 4.76 -1.703438655e-01 -1.703438655e-01 4.78 -1.644240083e-01 -1.644240083e-01 4.80 -1.586293199e-01 -1.586293199e-01 4.82 -1.529573738e-01 -1.529573738e-01 4.84 -1.474049037e-01 -1.474049037e-01 4.86 -1.419715035e-01 -1.419715035e-01 4.88 -1.366586853e-01 -1.366586853e-01 4.90 -1.314697730e-01 -1.314697730e-01 4.92 -1.264096658e-01 -1.264096658e-01 4.94 -1.214844666e-01 -1.214844666e-01 4.96 -1.167009927e-01 -1.167009927e-01 4.98 -1.120662037e-01 -1.120662037e-01 5.00 -1.075866035e-01 -1.075866035e-01 5.02 -1.032676786e-01 -1.032676786e-01 5.04 -9.911343396e-02 -9.911343396e-02 5.06 -9.512607575e-02 -9.512607575e-02 5.08 -9.130586682e-02 -9.130586682e-02 5.10 -8.765115589e-02 -8.765115589e-02 5.12 -8.415855826e-02 -8.415855826e-02 5.14 -8.082324866e-02 -8.082324866e-02 5.16 -7.763931894e-02 -7.763931894e-02 5.18 -7.460015339e-02 -7.460015339e-02 5.20 -7.169878162e-02 -7.169878162e-02 5.22 -6.892817966e-02 -6.892817966e-02 5.24 -6.628150202e-02 -6.628150202e-02 5.26 -6.375222801e-02 -6.375222801e-02 5.28 -6.133420580e-02 -6.133420580e-02 5.30 -5.902180771e-02 -5.902180771e-02 5.32 -5.680983812e-02 -5.680983812e-02 5.34 -5.469346043e-02 -5.469346043e-02 5.36 -5.266812296e-02 -5.266812296e-02 5.38 -5.072948117e-02 -5.072948117e-02 5.40 -4.887332619e-02 -4.887332619e-02 5.42 -4.709552701e-02 -4.709552701e-02 5.44 -4.539198965e-02 -4.539198965e-02 5.46 -4.375863432e-02 -4.375863432e-02 5.48 -4.219138886e-02 -4.219138886e-02 5.50 -4.068619546e-02 -4.068619546e-02 5.52 -3.923902709e-02 -3.923902709e-02 5.54 -3.784590969e-02 -3.784590969e-02 5.56 -3.650294684e-02 -3.650294684e-02 5.58 -3.520634434e-02 -3.520634434e-02 5.60 -3.395243280e-02 -3.395243280e-02 5.62 -3.273768743e-02 -3.273768743e-02 5.64 -3.155874390e-02 -3.155874390e-02 5.66 -3.041241190e-02 -3.041241190e-02 5.68 -2.929568602e-02 -2.929568602e-02 5.70 -2.820575496e-02 -2.820575496e-02 5.72 -2.714000999e-02 -2.714000999e-02 5.74 -2.609605347e-02 -2.609605347e-02 5.76 -2.507170819e-02 -2.507170819e-02 5.78 -2.406502806e-02 -2.406502806e-02 5.80 -2.307431029e-02 -2.307431029e-02 5.82 -2.209810934e-02 -2.209810934e-02 5.84 -2.113525192e-02 -2.113525192e-02 5.86 -2.018485280e-02 -2.018485280e-02 5.88 -1.924633002e-02 -1.924633002e-02 5.90 -1.831941852e-02 -1.831941852e-02 5.92 -1.740418039e-02 -1.740418039e-02 5.94 -1.650098567e-02 -1.650098567e-02 5.96 -1.561041810e-02 -1.561041810e-02 5.98 -1.473353330e-02 -1.473353330e-02 6.00 -1.387171397e-02 -1.387171397e-02