# 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 = AgCuMo2 # 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 2.439409404e+02 2.439409404e+02 1.30 2.254504736e+02 2.254504736e+02 1.32 2.083804919e+02 2.083804919e+02 1.34 1.926091216e+02 1.926091216e+02 1.36 1.780221187e+02 1.780221187e+02 1.38 1.645143126e+02 1.645143126e+02 1.40 1.519913335e+02 1.519913335e+02 1.42 1.403704291e+02 1.403704291e+02 1.44 1.295796923e+02 1.295796923e+02 1.46 1.195561277e+02 1.195561277e+02 1.48 1.102436450e+02 1.102436450e+02 1.50 1.015917138e+02 1.015917138e+02 1.52 9.355462591e+01 9.355462591e+01 1.54 8.609090464e+01 8.609090464e+01 1.56 7.916259950e+01 7.916259950e+01 1.58 7.273457401e+01 7.273457401e+01 1.60 6.677398232e+01 6.677398232e+01 1.62 6.124994550e+01 6.124994550e+01 1.64 5.613329433e+01 5.613329433e+01 1.66 5.139630149e+01 5.139630149e+01 1.68 4.701244074e+01 4.701244074e+01 1.70 4.295642829e+01 4.295642829e+01 1.72 3.920799815e+01 3.920799815e+01 1.74 3.574482708e+01 3.574482708e+01 1.76 3.254418704e+01 3.254418704e+01 1.78 2.958530717e+01 2.958530717e+01 1.80 2.684748323e+01 2.684748323e+01 1.82 2.431182324e+01 2.431182324e+01 1.84 2.196166075e+01 2.196166075e+01 1.86 1.978265775e+01 1.978265775e+01 1.88 1.776261514e+01 1.776261514e+01 1.90 1.589106098e+01 1.589106098e+01 1.92 1.415875448e+01 1.415875448e+01 1.94 1.255724264e+01 1.255724264e+01 1.96 1.107855034e+01 1.107855034e+01 1.98 9.715010174e+00 9.715010174e+00 2.00 8.459186471e+00 8.459186471e+00 2.02 7.303839560e+00 7.303839560e+00 2.04 6.241898515e+00 6.241898515e+00 2.06 5.266439219e+00 5.266439219e+00 2.08 4.370682926e+00 4.370682926e+00 2.10 3.548033538e+00 3.548033538e+00 2.12 2.792159982e+00 2.792159982e+00 2.14 2.097110257e+00 2.097110257e+00 2.16 1.457427366e+00 1.457427366e+00 2.18 8.682339403e-01 8.682339403e-01 2.20 3.252629294e-01 3.252629294e-01 2.22 -1.751702251e-01 -1.751702251e-01 2.24 -6.362422198e-01 -6.362422198e-01 2.26 -1.060722618e+00 -1.060722618e+00 2.28 -1.451078524e+00 -1.451078524e+00 2.30 -1.809564149e+00 -1.809564149e+00 2.32 -2.138282050e+00 -2.138282050e+00 2.34 -2.439211355e+00 -2.439211355e+00 2.36 -2.714208887e+00 -2.714208887e+00 2.38 -2.964997352e+00 -2.964997352e+00 2.40 -3.193155834e+00 -3.193155834e+00 2.42 -3.400080415e+00 -3.400080415e+00 2.44 -3.586826296e+00 -3.586826296e+00 2.46 -3.754797981e+00 -3.754797981e+00 2.48 -3.905349567e+00 -3.905349567e+00 2.50 -4.039700059e+00 -4.039700059e+00 2.52 -4.158953422e+00 -4.158953422e+00 2.54 -4.264113201e+00 -4.264113201e+00 2.56 -4.356094612e+00 -4.356094612e+00 2.58 -4.435719343e+00 -4.435719343e+00 2.60 -4.503449353e+00 -4.503449353e+00 2.62 -4.559500880e+00 -4.559500880e+00 2.64 -4.604129276e+00 -4.604129276e+00 2.66 -4.637631076e+00 -4.637631076e+00 2.68 -4.660336524e+00 -4.660336524e+00 2.70 -4.672602359e+00 -4.672602359e+00 2.72 -4.674804810e+00 -4.674804810e+00 2.74 -4.667332835e+00 -4.667332835e+00 2.76 -4.650582294e+00 -4.650582294e+00 2.78 -4.624967347e+00 -4.624967347e+00 2.80 -4.591085453e+00 -4.591085453e+00 2.82 -4.549244064e+00 -4.549244064e+00 2.84 -4.499699494e+00 -4.499699494e+00 2.86 -4.442784416e+00 -4.442784416e+00 2.88 -4.378916778e+00 -4.378916778e+00 2.90 -4.308607092e+00 -4.308607092e+00 2.92 -4.232461067e+00 -4.232461067e+00 2.94 -4.151174833e+00 -4.151174833e+00 2.96 -4.065524208e+00 -4.065524208e+00 2.98 -3.976363783e+00 -3.976363783e+00 3.00 -3.884662019e+00 -3.884662019e+00 3.02 -3.791212391e+00 -3.791212391e+00 3.04 -3.696701371e+00 -3.696701371e+00 3.06 -3.601733920e+00 -3.601733920e+00 3.08 -3.506803787e+00 -3.506803787e+00 3.10 -3.412274545e+00 -3.412274545e+00 3.12 -3.318372487e+00 -3.318372487e+00 3.14 -3.225192303e+00 -3.225192303e+00 3.16 -3.132720286e+00 -3.132720286e+00 3.18 -3.040848880e+00 -3.040848880e+00 3.20 -2.949396970e+00 -2.949396970e+00 3.22 -2.858137956e+00 -2.858137956e+00 3.24 -2.766828114e+00 -2.766828114e+00 3.26 -2.675233857e+00 -2.675233857e+00 3.28 -2.583156950e+00 -2.583156950e+00 3.30 -2.490456905e+00 -2.490456905e+00 3.32 -2.397069772e+00 -2.397069772e+00 3.34 -2.303022444e+00 -2.303022444e+00 3.36 -2.208441477e+00 -2.208441477e+00 3.38 -2.113555478e+00 -2.113555478e+00 3.40 -2.018690352e+00 -2.018690352e+00 3.42 -1.924257202e+00 -1.924257202e+00 3.44 -1.830733370e+00 -1.830733370e+00 3.46 -1.738637920e+00 -1.738637920e+00 3.48 -1.648503589e+00 -1.648503589e+00 3.50 -1.560847796e+00 -1.560847796e+00 3.52 -1.476145407e+00 -1.476145407e+00 3.54 -1.394805768e+00 -1.394805768e+00 3.56 -1.317155851e+00 -1.317155851e+00 3.58 -1.243430518e+00 -1.243430518e+00 3.60 -1.173769995e+00 -1.173769995e+00 3.62 -1.108223808e+00 -1.108223808e+00 3.64 -1.046759884e+00 -1.046759884e+00 3.66 -9.892772107e-01 -9.892772107e-01 3.68 -9.356204091e-01 -9.356204091e-01 3.70 -8.855947635e-01 -8.855947635e-01 3.72 -8.389805265e-01 -8.389805265e-01 3.74 -7.955456445e-01 -7.955456445e-01 3.76 -7.550563572e-01 -7.550563572e-01 3.78 -7.172853894e-01 -7.172853894e-01 3.80 -6.820176714e-01 -6.820176714e-01 3.82 -6.490537026e-01 -6.490537026e-01 3.84 -6.182108305e-01 -6.182108305e-01 3.86 -5.893228413e-01 -5.893228413e-01 3.88 -5.622383590e-01 -5.622383590e-01 3.90 -5.368185812e-01 -5.368185812e-01 3.92 -5.129348593e-01 -5.129348593e-01 3.94 -4.904665282e-01 -4.904665282e-01 3.96 -4.692992420e-01 -4.692992420e-01 3.98 -4.493239235e-01 -4.493239235e-01 4.00 -4.304362833e-01 -4.304362833e-01 4.02 -4.125367848e-01 -4.125367848e-01 4.04 -3.955308882e-01 -3.955308882e-01 4.06 -3.793294235e-01 -3.793294235e-01 4.08 -3.638489707e-01 -3.638489707e-01 4.10 -3.490121875e-01 -3.490121875e-01 4.12 -3.347480667e-01 -3.347480667e-01 4.14 -3.209919610e-01 -3.209919610e-01 4.16 -3.076858657e-01 -3.076858657e-01 4.18 -2.947790083e-01 -2.947790083e-01 4.20 -2.822273967e-01 -2.822273967e-01 4.22 -2.699940442e-01 -2.699940442e-01 4.24 -2.580491959e-01 -2.580491959e-01 4.26 -2.463705181e-01 -2.463705181e-01 4.28 -2.349432144e-01 -2.349432144e-01 4.30 -2.237600185e-01 -2.237600185e-01 4.32 -2.128210057e-01 -2.128210057e-01 4.34 -2.021331658e-01 -2.021331658e-01 4.36 -1.917096913e-01 -1.917096913e-01 4.38 -1.815689555e-01 -1.815689555e-01 4.40 -1.717331845e-01 -1.717331845e-01 4.42 -1.622268651e-01 -1.622268651e-01 4.44 -1.530749696e-01 -1.530749696e-01 4.46 -1.443011103e-01 -1.443011103e-01 4.48 -1.359256274e-01 -1.359256274e-01 4.50 -1.279643764e-01 -1.279643764e-01 4.52 -1.204274473e-01 -1.204274473e-01 4.54 -1.133183012e-01 -1.133183012e-01 4.56 -1.066335560e-01 -1.066335560e-01 4.58 -1.003632454e-01 -1.003632454e-01 4.60 -9.449148259e-02 -9.449148259e-02 4.62 -8.899742289e-02 -8.899742289e-02 4.64 -8.385640716e-02 -8.385640716e-02 4.66 -7.904116863e-02 -7.904116863e-02 4.68 -7.452300738e-02 -7.452300738e-02 4.70 -7.027286203e-02 -7.027286203e-02 4.72 -6.626223719e-02 -6.626223719e-02 4.74 -6.246396990e-02 -6.246396990e-02 4.76 -5.885283709e-02 -5.885283709e-02 4.78 -5.540601758e-02 -5.540601758e-02 4.80 -5.210342692e-02 -5.210342692e-02 4.82 -4.892794568e-02 -4.892794568e-02 4.84 -4.586555207e-02 -4.586555207e-02 4.86 -4.290537263e-02 -4.290537263e-02 4.88 -4.003964756e-02 -4.003964756e-02 4.90 -3.726361486e-02 -3.726361486e-02 4.92 -3.457530781e-02 -3.457530781e-02 4.94 -3.197526392e-02 -3.197526392e-02 4.96 -2.946613827e-02 -2.946613827e-02 4.98 -2.705224579e-02 -2.705224579e-02 5.00 -2.473903984e-02 -2.473903984e-02 5.02 -2.253255163e-02 -2.253255163e-02 5.04 -2.043882623e-02 -2.043882623e-02 5.06 -1.846339203e-02 -1.846339203e-02 5.08 -1.661074140e-02 -1.661074140e-02 5.10 -1.488379337e-02 -1.488379337e-02 5.12 -1.328431375e-02 -1.328431375e-02 5.14 -1.181238714e-02 -1.181238714e-02 5.16 -1.046634724e-02 -1.046634724e-02 5.18 -9.242897295e-03 -9.242897295e-03 5.20 -8.137312406e-03 -8.137312406e-03 5.22 -7.143695733e-03 -7.143695733e-03 5.24 -6.255261107e-03 -6.255261107e-03 5.26 -5.464617729e-03 -5.464617729e-03 5.28 -4.764037765e-03 -4.764037765e-03 5.30 -4.145693485e-03 -4.145693485e-03 5.32 -3.601856210e-03 -3.601856210e-03 5.34 -3.125054224e-03 -3.125054224e-03 5.36 -2.708190478e-03 -2.708190478e-03 5.38 -2.344623547e-03 -2.344623547e-03 5.40 -2.028216730e-03 -2.028216730e-03 5.42 -1.753360897e-03 -1.753360897e-03 5.44 -1.514976631e-03 -1.514976631e-03 5.46 -1.308500843e-03 -1.308500843e-03 5.48 -1.129862379e-03 -1.129862379e-03 5.50 -9.754503950e-04 -9.754503950e-04 5.52 -8.420785370e-04 -8.420785370e-04 5.54 -7.269472593e-04 -7.269472593e-04 5.56 -6.276060243e-04 -6.276060243e-04 5.58 -5.419166102e-04 -5.419166102e-04 5.60 -4.680183524e-04 -4.680183524e-04 5.62 -4.042958231e-04 -4.042958231e-04 5.64 -3.493492153e-04 -3.493492153e-04 5.66 -3.019675204e-04 -3.019675204e-04 5.68 -2.611044669e-04 -2.611044669e-04 5.70 -2.258571029e-04 -2.258571029e-04 5.72 -1.954468559e-04 -1.954468559e-04 5.74 -1.692028724e-04 -1.692028724e-04 5.76 -1.465474280e-04 -1.465474280e-04 5.78 -1.269831999e-04 -1.269831999e-04 5.80 -1.100821970e-04 -1.100821970e-04 5.82 -9.547615801e-05 -9.547615801e-05 5.84 -8.284824134e-05 -8.284824134e-05 5.86 -7.192584444e-05 -7.192584444e-05 5.88 -6.247441002e-05 -6.247441002e-05 5.90 -5.429208902e-05 -5.429208902e-05 5.92 -4.720514679e-05 -4.720514679e-05 5.94 -4.106401190e-05 -4.106401190e-05 5.96 -3.573987989e-05 -3.573987989e-05 5.98 -3.112179538e-05 -3.112179538e-05 6.00 -2.711414594e-05 -2.711414594e-05