# 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 = AgCo2W # 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 2.435028016e+02 2.435028016e+02 1.30 2.240842108e+02 2.240842108e+02 1.32 2.062018897e+02 2.062018897e+02 1.34 1.897296814e+02 1.897296814e+02 1.36 1.745509320e+02 1.745509320e+02 1.38 1.605577956e+02 1.605577956e+02 1.40 1.476510491e+02 1.476510491e+02 1.42 1.357400126e+02 1.357400126e+02 1.44 1.247420574e+02 1.247420574e+02 1.46 1.145819360e+02 1.145819360e+02 1.48 1.051914776e+02 1.051914776e+02 1.50 9.650949102e+01 9.650949102e+01 1.52 8.848127644e+01 8.848127644e+01 1.54 8.105770048e+01 8.105770048e+01 1.56 7.419426435e+01 7.419426435e+01 1.58 6.785036893e+01 6.785036893e+01 1.60 6.198867776e+01 6.198867776e+01 1.62 5.657450712e+01 5.657450712e+01 1.64 5.157530532e+01 5.157530532e+01 1.66 4.696033594e+01 4.696033594e+01 1.68 4.270062461e+01 4.270062461e+01 1.70 3.876950539e+01 3.876950539e+01 1.72 3.514214616e+01 3.514214616e+01 1.74 3.179505393e+01 3.179505393e+01 1.76 2.870673389e+01 2.870673389e+01 1.78 2.585923335e+01 2.585923335e+01 1.80 2.323429736e+01 2.323429736e+01 1.82 2.081428941e+01 2.081428941e+01 1.84 1.858327209e+01 1.858327209e+01 1.86 1.652696627e+01 1.652696627e+01 1.88 1.463258746e+01 1.463258746e+01 1.90 1.288858902e+01 1.288858902e+01 1.92 1.128437272e+01 1.128437272e+01 1.94 9.810044924e+00 9.810044924e+00 1.96 8.456273695e+00 8.456273695e+00 1.98 7.214245816e+00 7.214245816e+00 2.00 6.075677984e+00 6.075677984e+00 2.02 5.032826134e+00 5.032826134e+00 2.04 4.078454593e+00 4.078454593e+00 2.06 3.205761550e+00 3.205761550e+00 2.08 2.408291759e+00 2.408291759e+00 2.10 1.679877624e+00 1.679877624e+00 2.12 1.014633237e+00 1.014633237e+00 2.14 4.070002200e-01 4.070002200e-01 2.16 -1.481751999e-01 -1.481751999e-01 2.18 -6.555635659e-01 -6.555635659e-01 2.20 -1.119300785e+00 -1.119300785e+00 2.22 -1.542982261e+00 -1.542982261e+00 2.24 -1.929655098e+00 -1.929655098e+00 2.26 -2.281929003e+00 -2.281929003e+00 2.28 -2.602298973e+00 -2.602298973e+00 2.30 -2.892968619e+00 -2.892968619e+00 2.32 -3.155917776e+00 -3.155917776e+00 2.34 -3.392965264e+00 -3.392965264e+00 2.36 -3.605810486e+00 -3.605810486e+00 2.38 -3.795945146e+00 -3.795945146e+00 2.40 -3.964511634e+00 -3.964511634e+00 2.42 -4.112646344e+00 -4.112646344e+00 2.44 -4.241518300e+00 -4.241518300e+00 2.46 -4.352307788e+00 -4.352307788e+00 2.48 -4.446191926e+00 -4.446191926e+00 2.50 -4.524334767e+00 -4.524334767e+00 2.52 -4.587881394e+00 -4.587881394e+00 2.54 -4.637956419e+00 -4.637956419e+00 2.56 -4.675665508e+00 -4.675665508e+00 2.58 -4.702094785e+00 -4.702094785e+00 2.60 -4.718306427e+00 -4.718306427e+00 2.62 -4.725390129e+00 -4.725390129e+00 2.64 -4.724219483e+00 -4.724219483e+00 2.66 -4.715524272e+00 -4.715524272e+00 2.68 -4.699933821e+00 -4.699933821e+00 2.70 -4.677977996e+00 -4.677977996e+00 2.72 -4.650102806e+00 -4.650102806e+00 2.74 -4.616692410e+00 -4.616692410e+00 2.76 -4.578089863e+00 -4.578089863e+00 2.78 -4.534571509e+00 -4.534571509e+00 2.80 -4.486306895e+00 -4.486306895e+00 2.82 -4.433471291e+00 -4.433471291e+00 2.84 -4.376337107e+00 -4.376337107e+00 2.86 -4.315178734e+00 -4.315178734e+00 2.88 -4.249983544e+00 -4.249983544e+00 2.90 -4.180779661e+00 -4.180779661e+00 2.92 -4.107652325e+00 -4.107652325e+00 2.94 -4.030748917e+00 -4.030748917e+00 2.96 -3.950298937e+00 -3.950298937e+00 2.98 -3.866627115e+00 -3.866627115e+00 3.00 -3.780124043e+00 -3.780124043e+00 3.02 -3.691235062e+00 -3.691235062e+00 3.04 -3.600444388e+00 -3.600444388e+00 3.06 -3.508251736e+00 -3.508251736e+00 3.08 -3.415144299e+00 -3.415144299e+00 3.10 -3.321568691e+00 -3.321568691e+00 3.12 -3.227907810e+00 -3.227907810e+00 3.14 -3.134466383e+00 -3.134466383e+00 3.16 -3.041466650e+00 -3.041466650e+00 3.18 -2.949053381e+00 -2.949053381e+00 3.20 -2.857305842e+00 -2.857305842e+00 3.22 -2.766253842e+00 -2.766253842e+00 3.24 -2.675895261e+00 -2.675895261e+00 3.26 -2.586213160e+00 -2.586213160e+00 3.28 -2.497191260e+00 -2.497191260e+00 3.30 -2.408827190e+00 -2.408827190e+00 3.32 -2.321143185e+00 -2.321143185e+00 3.34 -2.234194099e+00 -2.234194099e+00 3.36 -2.148072591e+00 -2.148072591e+00 3.38 -2.062911320e+00 -2.062911320e+00 3.40 -1.978881986e+00 -1.978881986e+00 3.42 -1.896191147e+00 -1.896191147e+00 3.44 -1.815072927e+00 -1.815072927e+00 3.46 -1.735779021e+00 -1.735779021e+00 3.48 -1.658566702e+00 -1.658566702e+00 3.50 -1.583685836e+00 -1.583685836e+00 3.52 -1.511366076e+00 -1.511366076e+00 3.54 -1.441805420e+00 -1.441805420e+00 3.56 -1.375161150e+00 -1.375161150e+00 3.58 -1.311543847e+00 -1.311543847e+00 3.60 -1.251014788e+00 -1.251014788e+00 3.62 -1.193586601e+00 -1.193586601e+00 3.64 -1.139226734e+00 -1.139226734e+00 3.66 -1.087863044e+00 -1.087863044e+00 3.68 -1.039390735e+00 -1.039390735e+00 3.70 -9.936798758e-01 -9.936798758e-01 3.72 -9.505828439e-01 -9.505828439e-01 3.74 -9.099412118e-01 -9.099412118e-01 3.76 -8.715917354e-01 -8.715917354e-01 3.78 -8.353712842e-01 -8.353712842e-01 3.80 -8.011206743e-01 -8.011206743e-01 3.82 -7.686874567e-01 -7.686874567e-01 3.84 -7.379277800e-01 -7.379277800e-01 3.86 -7.087074704e-01 -7.087074704e-01 3.88 -6.809024870e-01 -6.809024870e-01 3.90 -6.543989009e-01 -6.543989009e-01 3.92 -6.290925317e-01 -6.290925317e-01 3.94 -6.048883628e-01 -6.048883628e-01 3.96 -5.816998248e-01 -5.816998248e-01 3.98 -5.594480381e-01 -5.594480381e-01 4.00 -5.380610733e-01 -5.380610733e-01 4.02 -5.174732836e-01 -5.174732836e-01 4.04 -4.976247526e-01 -4.976247526e-01 4.06 -4.784608875e-01 -4.784608875e-01 4.08 -4.599321830e-01 -4.599321830e-01 4.10 -4.419941627e-01 -4.419941627e-01 4.12 -4.246075062e-01 -4.246075062e-01 4.14 -4.077383196e-01 -4.077383196e-01 4.16 -3.913585298e-01 -3.913585298e-01 4.18 -3.754463103e-01 -3.754463103e-01 4.20 -3.599864433e-01 -3.599864433e-01 4.22 -3.449704922e-01 -3.449704922e-01 4.24 -3.303966522e-01 -3.303966522e-01 4.26 -3.162691665e-01 -3.162691665e-01 4.28 -3.025972425e-01 -3.025972425e-01 4.30 -2.893934837e-01 -2.893934837e-01 4.32 -2.766719450e-01 -2.766719450e-01 4.34 -2.644460046e-01 -2.644460046e-01 4.36 -2.527262998e-01 -2.527262998e-01 4.38 -2.415189713e-01 -2.415189713e-01 4.40 -2.308244125e-01 -2.308244125e-01 4.42 -2.206366268e-01 -2.206366268e-01 4.44 -2.109431945e-01 -2.109431945e-01 4.46 -2.017257623e-01 -2.017257623e-01 4.48 -1.929609109e-01 -1.929609109e-01 4.50 -1.846212399e-01 -1.846212399e-01 4.52 -1.766765174e-01 -1.766765174e-01 4.54 -1.690947782e-01 -1.690947782e-01 4.56 -1.618432923e-01 -1.618432923e-01 4.58 -1.548893669e-01 -1.548893669e-01 4.60 -1.482009774e-01 -1.482009774e-01 4.62 -1.417472441e-01 -1.417472441e-01 4.64 -1.354987883e-01 -1.354987883e-01 4.66 -1.294280060e-01 -1.294280060e-01 4.68 -1.235092983e-01 -1.235092983e-01 4.70 -1.177192949e-01 -1.177192949e-01 4.72 -1.120370997e-01 -1.120370997e-01 4.74 -1.064445790e-01 -1.064445790e-01 4.76 -1.009267012e-01 -1.009267012e-01 4.78 -9.547192369e-02 -9.547192369e-02 4.80 -9.007260576e-02 -9.007260576e-02 4.82 -8.472541626e-02 -8.472541626e-02 4.84 -7.943167241e-02 -7.943167241e-02 4.86 -7.419755930e-02 -7.419755930e-02 4.88 -6.903414860e-02 -6.903414860e-02 4.90 -6.395715503e-02 -6.395715503e-02 4.92 -5.898638268e-02 -5.898638268e-02 4.94 -5.414484603e-02 -5.414484603e-02 4.96 -4.945759423e-02 -4.945759423e-02 4.98 -4.495031329e-02 -4.495031329e-02 5.00 -4.064782344e-02 -4.064782344e-02 5.02 -3.657261447e-02 -3.657261447e-02 5.04 -3.274355999e-02 -3.274355999e-02 5.06 -2.917493251e-02 -2.917493251e-02 5.08 -2.587547762e-02 -2.587547762e-02 5.10 -2.284851810e-02 -2.284851810e-02 5.12 -2.009290268e-02 -2.009290268e-02 5.14 -1.760259933e-02 -1.760259933e-02 5.16 -1.536742272e-02 -1.536742272e-02 5.18 -1.337391046e-02 -1.337391046e-02 5.20 -1.160622917e-02 -1.160622917e-02 5.22 -1.004703731e-02 -1.004703731e-02 5.24 -8.678253699e-03 -8.678253699e-03 5.26 -7.481702994e-03 -7.481702994e-03 5.28 -6.439627358e-03 -6.439627358e-03 5.30 -5.535067648e-03 -5.535067648e-03 5.32 -4.752126312e-03 -4.752126312e-03 5.34 -4.076129203e-03 -4.076129203e-03 5.36 -3.493705294e-03 -3.493705294e-03 5.38 -2.992802831e-03 -2.992802831e-03 5.40 -2.562658735e-03 -2.562658735e-03 5.42 -2.193735612e-03 -2.193735612e-03 5.44 -1.877638076e-03 -1.877638076e-03 5.46 -1.607017564e-03 -1.607017564e-03 5.48 -1.375472522e-03 -1.375472522e-03 5.50 -1.177448939e-03 -1.177448939e-03 5.52 -1.008144623e-03 -1.008144623e-03 5.54 -8.634193906e-04 -8.634193906e-04 5.56 -7.397124098e-04 -7.397124098e-04 5.58 -6.339672747e-04 -6.339672747e-04 5.60 -5.435648850e-04 -5.435648850e-04 5.62 -4.662639011e-04 -4.662639011e-04 5.64 -4.001483343e-04 -4.001483343e-04 5.66 -3.435817116e-04 -3.435817116e-04 5.68 -2.951672079e-04 -2.951672079e-04 5.70 -2.537131176e-04 -2.537131176e-04 5.72 -2.182030632e-04 -2.182030632e-04 5.74 -1.877703667e-04 -1.877703667e-04 5.76 -1.616760580e-04 -1.616760580e-04 5.78 -1.392900433e-04 -1.392900433e-04 5.80 -1.200750055e-04 -1.200750055e-04 5.82 -1.035726604e-04 -1.035726604e-04 5.84 -8.939203534e-05 -8.939203534e-05 5.86 -7.719948163e-05 -7.719948163e-05 5.88 -6.671017025e-05 -6.671017025e-05 5.90 -5.768085323e-05 -5.768085323e-05 5.92 -4.990370469e-05 -4.990370469e-05 5.94 -4.320108146e-05 -4.320108146e-05 5.96 -3.742106623e-05 -3.742106623e-05 5.98 -3.243367648e-05 -3.243367648e-05 6.00 -2.812763917e-05 -2.812763917e-05