# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = ClId2Li # 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 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 6.017542949e+06 6.017542949e+06 1.30 4.594052037e+06 4.594052037e+06 1.32 3.521525607e+06 3.521525607e+06 1.34 2.709996376e+06 2.709996376e+06 1.36 2.093421051e+06 2.093421051e+06 1.38 1.623094276e+06 1.623094276e+06 1.40 1.262936647e+06 1.262936647e+06 1.42 9.861056803e+05 9.861056803e+05 1.44 7.725465020e+05 7.725465020e+05 1.46 6.072145250e+05 6.072145250e+05 1.48 4.787786917e+05 4.787786917e+05 1.50 3.786718605e+05 3.786718605e+05 1.52 3.003923455e+05 3.003923455e+05 1.54 2.389878687e+05 2.389878687e+05 1.56 1.906728932e+05 1.906728932e+05 1.58 1.525437848e+05 1.525437848e+05 1.60 1.223659522e+05 1.223659522e+05 1.62 9.841390372e+04 9.841390372e+04 1.64 7.935105335e+04 7.935105335e+04 1.66 6.413884962e+04 6.413884962e+04 1.68 5.196792217e+04 5.196792217e+04 1.70 4.220558976e+04 4.220558976e+04 1.72 3.435589420e+04 3.435589420e+04 1.74 2.802893716e+04 2.802893716e+04 1.76 2.291738673e+04 2.291738673e+04 1.78 1.877834298e+04 1.877834298e+04 1.80 1.541931819e+04 1.541931819e+04 1.82 1.268738884e+04 1.268738884e+04 1.84 1.046077242e+04 1.046077242e+04 1.86 8.642230047e+03 8.642230047e+03 1.88 7.153982929e+03 7.153982929e+03 1.90 5.933639667e+03 5.933639667e+03 1.92 4.931040928e+03 4.931040928e+03 1.94 4.105775851e+03 4.105775851e+03 1.96 3.425220194e+03 3.425220194e+03 1.98 2.862978483e+03 2.862978483e+03 2.00 2.397643973e+03 2.397643973e+03 2.02 2.011838869e+03 2.011838869e+03 2.04 1.691422835e+03 1.691422835e+03 2.06 1.424860094e+03 1.424860094e+03 2.08 1.202728052e+03 1.202728052e+03 2.10 1.017312560e+03 1.017312560e+03 2.12 8.622889023e+02 8.622889023e+02 2.14 7.324615942e+02 7.324615942e+02 2.16 6.235590439e+02 6.235590439e+02 2.18 5.320578286e+02 5.320578286e+02 2.20 4.550545332e+02 4.550545332e+02 2.22 3.901458365e+02 3.901458365e+02 2.24 3.353417034e+02 3.353417034e+02 2.26 2.889910613e+02 2.889910613e+02 2.28 2.497235898e+02 2.497235898e+02 2.30 2.163992209e+02 2.163992209e+02 2.32 1.880673483e+02 1.880673483e+02 2.34 1.639339259e+02 1.639339259e+02 2.36 1.433398491e+02 1.433398491e+02 2.38 1.257311405e+02 1.257311405e+02 2.40 1.106428940e+02 1.106428940e+02 2.42 9.768530492e+01 9.768530492e+01 2.44 8.653412124e+01 8.653412124e+01 2.46 7.691482167e+01 7.691482167e+01 2.48 6.859647306e+01 6.859647306e+01 2.50 6.138462892e+01 6.138462892e+01 2.52 5.511538320e+01 5.511538320e+01 2.54 4.965027216e+01 4.965027216e+01 2.56 4.487238738e+01 4.487238738e+01 2.58 4.068323843e+01 4.068323843e+01 2.60 3.699880222e+01 3.699880222e+01 2.62 3.374849621e+01 3.374849621e+01 2.64 3.087254857e+01 3.087254857e+01 2.66 2.831992324e+01 2.831992324e+01 2.68 2.604715745e+01 2.604715745e+01 2.70 2.401675734e+01 2.401675734e+01 2.72 2.219749872e+01 2.219749872e+01 2.74 2.056197461e+01 2.056197461e+01 2.76 1.908756177e+01 1.908756177e+01 2.78 1.775372001e+01 1.775372001e+01 2.80 1.654468205e+01 1.654468205e+01 2.82 1.544567832e+01 1.544567832e+01 2.84 1.444381636e+01 1.444381636e+01 2.86 1.352749427e+01 1.352749427e+01 2.88 1.268803102e+01 1.268803102e+01 2.90 1.191704294e+01 1.191704294e+01 2.92 1.120718419e+01 1.120718419e+01 2.94 1.055202472e+01 1.055202472e+01 2.96 9.945915555e+00 9.945915555e+00 2.98 9.383876590e+00 9.383876590e+00 3.00 8.861483183e+00 8.861483183e+00 3.02 8.374840264e+00 8.374840264e+00 3.04 7.920483447e+00 7.920483447e+00 3.06 7.495313543e+00 7.495313543e+00 3.08 7.096567323e+00 7.096567323e+00 3.10 6.721771272e+00 6.721771272e+00 3.12 6.368726216e+00 6.368726216e+00 3.14 6.035464414e+00 6.035464414e+00 3.16 5.720236574e+00 5.720236574e+00 3.18 5.421414103e+00 5.421414103e+00 3.20 5.137628210e+00 5.137628210e+00 3.22 4.867775926e+00 4.867775926e+00 3.24 4.610783495e+00 4.610783495e+00 3.26 4.365592137e+00 4.365592137e+00 3.28 4.131429896e+00 4.131429896e+00 3.30 3.907690174e+00 3.907690174e+00 3.32 3.693748714e+00 3.693748714e+00 3.34 3.489039526e+00 3.489039526e+00 3.36 3.293091861e+00 3.293091861e+00 3.38 3.105517754e+00 3.105517754e+00 3.40 2.925947183e+00 2.925947183e+00 3.42 2.754048844e+00 2.754048844e+00 3.44 2.589522073e+00 2.589522073e+00 3.46 2.432089886e+00 2.432089886e+00 3.48 2.281471595e+00 2.281471595e+00 3.50 2.137433711e+00 2.137433711e+00 3.52 1.999754892e+00 1.999754892e+00 3.54 1.868203506e+00 1.868203506e+00 3.56 1.742552746e+00 1.742552746e+00 3.58 1.622579147e+00 1.622579147e+00 3.60 1.508061634e+00 1.508061634e+00 3.62 1.398781224e+00 1.398781224e+00 3.64 1.294007809e+00 1.294007809e+00 3.66 1.193874054e+00 1.193874054e+00 3.68 1.098346576e+00 1.098346576e+00 3.70 1.007368196e+00 1.007368196e+00 3.72 9.206415323e-01 9.206415323e-01 3.74 8.380117915e-01 8.380117915e-01 3.76 7.592804668e-01 7.592804668e-01 3.78 6.842371201e-01 6.842371201e-01 3.80 6.126830645e-01 6.126830645e-01 3.82 5.444310432e-01 5.444310432e-01 3.84 4.793049376e-01 4.793049376e-01 3.86 4.171394955e-01 4.171394955e-01 3.88 3.577800683e-01 3.577800683e-01 3.90 3.010583387e-01 3.010583387e-01 3.92 2.467371825e-01 2.467371825e-01 3.94 1.948434757e-01 1.948434757e-01 3.96 1.452589427e-01 1.452589427e-01 3.98 9.787470369e-02 9.787470369e-02 4.00 5.259082726e-02 5.259082726e-02 4.02 9.315832318e-03 9.315832318e-03 4.04 -3.226451794e-02 -3.226451794e-02 4.06 -7.197568283e-02 -7.197568283e-02 4.08 -1.098580241e-01 -1.098580241e-01 4.10 -1.459830444e-01 -1.459830444e-01 4.12 -1.804175956e-01 -1.804175956e-01 4.14 -2.132213152e-01 -2.132213152e-01 4.16 -2.444482763e-01 -2.444482763e-01 4.18 -2.741479424e-01 -2.741479424e-01 4.20 -3.023658764e-01 -3.023658764e-01 4.22 -3.291443966e-01 -3.291443966e-01 4.24 -3.545231707e-01 -3.545231707e-01 4.26 -3.785397440e-01 -3.785397440e-01 4.28 -4.012408452e-01 -4.012408452e-01 4.30 -4.226591281e-01 -4.226591281e-01 4.32 -4.428161606e-01 -4.428161606e-01 4.34 -4.617447205e-01 -4.617447205e-01 4.36 -4.794780270e-01 -4.794780270e-01 4.38 -4.960486887e-01 -4.960486887e-01 4.40 -5.114887785e-01 -5.114887785e-01 4.42 -5.258301181e-01 -5.258301181e-01 4.44 -5.391042950e-01 -5.391042950e-01 4.46 -5.513426522e-01 -5.513426522e-01 4.48 -5.625762552e-01 -5.625762552e-01 4.50 -5.730092536e-01 -5.730092536e-01 4.52 -5.825223000e-01 -5.825223000e-01 4.54 -5.910780754e-01 -5.910780754e-01 4.56 -5.987135607e-01 -5.987135607e-01 4.58 -6.054640487e-01 -6.054640487e-01 4.60 -6.113632181e-01 -6.113632181e-01 4.62 -6.164431965e-01 -6.164431965e-01 4.64 -6.207345770e-01 -6.207345770e-01 4.66 -6.242667504e-01 -6.242667504e-01 4.68 -6.270676788e-01 -6.270676788e-01 4.70 -6.291640866e-01 -6.291640866e-01 4.72 -6.305815376e-01 -6.305815376e-01 4.74 -6.313445120e-01 -6.313445120e-01 4.76 -6.314764840e-01 -6.314764840e-01 4.78 -6.309999991e-01 -6.309999991e-01 4.80 -6.299367502e-01 -6.299367502e-01 4.82 -6.283076530e-01 -6.283076530e-01 4.84 -6.261329200e-01 -6.261329200e-01 4.86 -6.234321321e-01 -6.234321321e-01 4.88 -6.202243077e-01 -6.202243077e-01 4.90 -6.165279696e-01 -6.165279696e-01 4.92 -6.123612074e-01 -6.123612074e-01 4.94 -6.077417371e-01 -6.077417371e-01 4.96 -6.026869088e-01 -6.026869088e-01 4.98 -5.972136989e-01 -5.972136989e-01 5.00 -5.913392415e-01 -5.913392415e-01 5.02 -5.850802548e-01 -5.850802548e-01 5.04 -5.784533084e-01 -5.784533084e-01 5.06 -5.714748530e-01 -5.714748530e-01 5.08 -5.641612441e-01 -5.641612441e-01 5.10 -5.565287609e-01 -5.565287609e-01 5.12 -5.485936194e-01 -5.485936194e-01 5.14 -5.403719814e-01 -5.403719814e-01 5.16 -5.318799584e-01 -5.318799584e-01 5.18 -5.231336807e-01 -5.231336807e-01 5.20 -5.141492349e-01 -5.141492349e-01 5.22 -5.049423690e-01 -5.049423690e-01 5.24 -4.955294070e-01 -4.955294070e-01 5.26 -4.859343500e-01 -4.859343500e-01 5.28 -4.761626656e-01 -4.761626656e-01 5.30 -4.662301928e-01 -4.662301928e-01 5.32 -4.561525667e-01 -4.561525667e-01 5.34 -4.459452575e-01 -4.459452575e-01 5.36 -4.356235585e-01 -4.356235585e-01 5.38 -4.252025733e-01 -4.252025733e-01 5.40 -4.146972055e-01 -4.146972055e-01 5.42 -4.041221480e-01 -4.041221480e-01 5.44 -3.934918746e-01 -3.934918746e-01 5.46 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