# 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 = AgNiTa2 # 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 2.927919267e+02 2.927919267e+02 1.30 2.709928514e+02 2.709928514e+02 1.32 2.508268530e+02 2.508268530e+02 1.34 2.321587079e+02 2.321587079e+02 1.36 2.148677410e+02 2.148677410e+02 1.38 1.988462960e+02 1.988462960e+02 1.40 1.839976454e+02 1.839976454e+02 1.42 1.702340175e+02 1.702340175e+02 1.44 1.574747226e+02 1.574747226e+02 1.46 1.456444212e+02 1.456444212e+02 1.48 1.346718791e+02 1.346718791e+02 1.50 1.244894381e+02 1.244894381e+02 1.52 1.150331614e+02 1.150331614e+02 1.54 1.062434709e+02 1.062434709e+02 1.56 9.806597890e+01 9.806597890e+01 1.58 9.045209266e+01 9.045209266e+01 1.60 8.335907192e+01 8.335907192e+01 1.62 7.674950640e+01 7.674950640e+01 1.64 7.059041258e+01 7.059041258e+01 1.66 6.485220824e+01 6.485220824e+01 1.68 5.950779164e+01 5.950779164e+01 1.70 5.453186578e+01 5.453186578e+01 1.72 4.990053150e+01 4.990053150e+01 1.74 4.559109970e+01 4.559109970e+01 1.76 4.158206057e+01 4.158206057e+01 1.78 3.785315001e+01 3.785315001e+01 1.80 3.438544138e+01 3.438544138e+01 1.82 3.116568196e+01 3.116568196e+01 1.84 2.818349457e+01 2.818349457e+01 1.86 2.542317557e+01 2.542317557e+01 1.88 2.286997737e+01 2.286997737e+01 1.90 2.051044190e+01 2.051044190e+01 1.92 1.833211662e+01 1.833211662e+01 1.94 1.632195992e+01 1.632195992e+01 1.96 1.446727645e+01 1.446727645e+01 1.98 1.275579776e+01 1.275579776e+01 2.00 1.117581515e+01 1.117581515e+01 2.02 9.716360468e+00 9.716360468e+00 2.04 8.367395187e+00 8.367395187e+00 2.06 7.119956626e+00 7.119956626e+00 2.08 5.966213317e+00 5.966213317e+00 2.10 4.899410212e+00 4.899410212e+00 2.12 3.913723557e+00 3.913723557e+00 2.14 3.004070875e+00 3.004070875e+00 2.16 2.165921933e+00 2.165921933e+00 2.18 1.395139403e+00 1.395139403e+00 2.20 6.878575183e-01 6.878575183e-01 2.22 4.039334005e-02 4.039334005e-02 2.24 -5.508195956e-01 -5.508195956e-01 2.26 -1.089283929e+00 -1.089283929e+00 2.28 -1.578481408e+00 -1.578481408e+00 2.30 -2.021904175e+00 -2.021904175e+00 2.32 -2.423066706e+00 -2.423066706e+00 2.34 -2.785488002e+00 -2.785488002e+00 2.36 -3.112637897e+00 -3.112637897e+00 2.38 -3.407853194e+00 -3.407853194e+00 2.40 -3.674243023e+00 -3.674243023e+00 2.42 -3.914609138e+00 -3.914609138e+00 2.44 -4.131401331e+00 -4.131401331e+00 2.46 -4.326714511e+00 -4.326714511e+00 2.48 -4.502156319e+00 -4.502156319e+00 2.50 -4.659218119e+00 -4.659218119e+00 2.52 -4.799464643e+00 -4.799464643e+00 2.54 -4.924233158e+00 -4.924233158e+00 2.56 -5.034696991e+00 -5.034696991e+00 2.58 -5.131914547e+00 -5.131914547e+00 2.60 -5.216862338e+00 -5.216862338e+00 2.62 -5.290431099e+00 -5.290431099e+00 2.64 -5.353144154e+00 -5.353144154e+00 2.66 -5.405331914e+00 -5.405331914e+00 2.68 -5.447393401e+00 -5.447393401e+00 2.70 -5.479771706e+00 -5.479771706e+00 2.72 -5.502929950e+00 -5.502929950e+00 2.74 -5.517333312e+00 -5.517333312e+00 2.76 -5.523435222e+00 -5.523435222e+00 2.78 -5.521666646e+00 -5.521666646e+00 2.80 -5.512428746e+00 -5.512428746e+00 2.82 -5.496089257e+00 -5.496089257e+00 2.84 -5.472981922e+00 -5.472981922e+00 2.86 -5.443413294e+00 -5.443413294e+00 2.88 -5.407669485e+00 -5.407669485e+00 2.90 -5.366023206e+00 -5.366023206e+00 2.92 -5.318739723e+00 -5.318739723e+00 2.94 -5.266080839e+00 -5.266080839e+00 2.96 -5.208306629e+00 -5.208306629e+00 2.98 -5.145673198e+00 -5.145673198e+00 3.00 -5.078381394e+00 -5.078381394e+00 3.02 -5.006583773e+00 -5.006583773e+00 3.04 -4.930441703e+00 -4.930441703e+00 3.06 -4.850124149e+00 -4.850124149e+00 3.08 -4.765805274e+00 -4.765805274e+00 3.10 -4.677664512e+00 -4.677664512e+00 3.12 -4.585889504e+00 -4.585889504e+00 3.14 -4.490682051e+00 -4.490682051e+00 3.16 -4.392266806e+00 -4.392266806e+00 3.18 -4.290946402e+00 -4.290946402e+00 3.20 -4.187062931e+00 -4.187062931e+00 3.22 -4.080896612e+00 -4.080896612e+00 3.24 -3.972800243e+00 -3.972800243e+00 3.26 -3.863200383e+00 -3.863200383e+00 3.28 -3.752588712e+00 -3.752588712e+00 3.30 -3.641506186e+00 -3.641506186e+00 3.32 -3.530520510e+00 -3.530520510e+00 3.34 -3.420198663e+00 -3.420198663e+00 3.36 -3.311078666e+00 -3.311078666e+00 3.38 -3.203645029e+00 -3.203645029e+00 3.40 -3.098298913e+00 -3.098298913e+00 3.42 -2.995339127e+00 -2.995339127e+00 3.44 -2.894953015e+00 -2.894953015e+00 3.46 -2.797215946e+00 -2.797215946e+00 3.48 -2.702098558e+00 -2.702098558e+00 3.50 -2.609480138e+00 -2.609480138e+00 3.52 -2.519166130e+00 -2.519166130e+00 3.54 -2.430907807e+00 -2.430907807e+00 3.56 -2.344422430e+00 -2.344422430e+00 3.58 -2.259412671e+00 -2.259412671e+00 3.60 -2.175584518e+00 -2.175584518e+00 3.62 -2.092663303e+00 -2.092663303e+00 3.64 -2.010407732e+00 -2.010407732e+00 3.66 -1.928621952e+00 -1.928621952e+00 3.68 -1.847165687e+00 -1.847165687e+00 3.70 -1.765962370e+00 -1.765962370e+00 3.72 -1.685005049e+00 -1.685005049e+00 3.74 -1.604359682e+00 -1.604359682e+00 3.76 -1.524165315e+00 -1.524165315e+00 3.78 -1.444630653e+00 -1.444630653e+00 3.80 -1.366026657e+00 -1.366026657e+00 3.82 -1.288675075e+00 -1.288675075e+00 3.84 -1.212933256e+00 -1.212933256e+00 3.86 -1.139176039e+00 -1.139176039e+00 3.88 -1.067775982e+00 -1.067775982e+00 3.90 -9.990835152e-01 -9.990835152e-01 3.92 -9.334087226e-01 -9.334087226e-01 3.94 -8.710063409e-01 -8.710063409e-01 3.96 -8.120651602e-01 -8.120651602e-01 3.98 -7.567024744e-01 -7.567024744e-01 4.00 -7.049635900e-01 -7.049635900e-01 4.02 -6.568258334e-01 -6.568258334e-01 4.04 -6.122060865e-01 -6.122060865e-01 4.06 -5.709706668e-01 -5.709706668e-01 4.08 -5.329463662e-01 -5.329463662e-01 4.10 -4.979316093e-01 -4.979316093e-01 4.12 -4.657069470e-01 -4.657069470e-01 4.14 -4.360443376e-01 -4.360443376e-01 4.16 -4.087149733e-01 -4.087149733e-01 4.18 -3.834955516e-01 -3.834955516e-01 4.20 -3.601730705e-01 -3.601730705e-01 4.22 -3.385482978e-01 -3.385482978e-01 4.24 -3.184381060e-01 -3.184381060e-01 4.26 -2.996768744e-01 -2.996768744e-01 4.28 -2.821171418e-01 -2.821171418e-01 4.30 -2.656296721e-01 -2.656296721e-01 4.32 -2.501030655e-01 -2.501030655e-01 4.34 -2.354430176e-01 -2.354430176e-01 4.36 -2.215713014e-01 -2.215713014e-01 4.38 -2.084245164e-01 -2.084245164e-01 4.40 -1.959526342e-01 -1.959526342e-01 4.42 -1.841173440e-01 -1.841173440e-01 4.44 -1.728901844e-01 -1.728901844e-01 4.46 -1.622502907e-01 -1.622502907e-01 4.48 -1.521828638e-01 -1.521828638e-01 4.50 -1.426765855e-01 -1.426765855e-01 4.52 -1.337213493e-01 -1.337213493e-01 4.54 -1.253063564e-01 -1.253063564e-01 4.56 -1.174183575e-01 -1.174183575e-01 4.58 -1.100410421e-01 -1.100410421e-01 4.60 -1.031542202e-01 -1.031542202e-01 4.62 -9.673359941e-02 -9.673359941e-02 4.64 -9.075119597e-02 -9.075119597e-02 4.66 -8.517607473e-02 -8.517607473e-02 4.68 -7.997529868e-02 -7.997529868e-02 4.70 -7.511496651e-02 -7.511496651e-02 4.72 -7.056123649e-02 -7.056123649e-02 4.74 -6.628126235e-02 -6.628126235e-02 4.76 -6.224399605e-02 -6.224399605e-02 4.78 -5.842083762e-02 -5.842083762e-02 4.80 -5.478612995e-02 -5.478612995e-02 4.82 -5.131751302e-02 -5.131751302e-02 4.84 -4.799613525e-02 -4.799613525e-02 4.86 -4.480675406e-02 -4.480675406e-02 4.88 -4.173772366e-02 -4.173772366e-02 4.90 -3.878087530e-02 -3.878087530e-02 4.92 -3.593129353e-02 -3.593129353e-02 4.94 -3.318698997e-02 -3.318698997e-02 4.96 -3.054848613e-02 -3.054848613e-02 4.98 -2.801830518e-02 -2.801830518e-02 5.00 -2.560039964e-02 -2.560039964e-02 5.02 -2.329954520e-02 -2.329954520e-02 5.04 -2.112073337e-02 -2.112073337e-02 5.06 -1.906860138e-02 -1.906860138e-02 5.08 -1.714688541e-02 -1.714688541e-02 5.10 -1.535785932e-02 -1.535785932e-02 5.12 -1.370268009e-02 -1.370268009e-02 5.14 -1.218088260e-02 -1.218088260e-02 5.16 -1.079029853e-02 -1.079029853e-02 5.18 -9.527166562e-03 -9.527166562e-03 5.20 -8.386327854e-03 -8.386327854e-03 5.22 -7.361478121e-03 -7.361478121e-03 5.24 -6.445448104e-03 -6.445448104e-03 5.26 -5.630487428e-03 -5.630487428e-03 5.28 -4.908532091e-03 -4.908532091e-03 5.30 -4.271441784e-03 -4.271441784e-03 5.32 -3.711199034e-03 -3.711199034e-03 5.34 -3.220067078e-03 -3.220067078e-03 5.36 -2.790707266e-03 -2.790707266e-03 5.38 -2.416259372e-03 -2.416259372e-03 5.40 -2.090389773e-03 -2.090389773e-03 5.42 -1.807313114e-03 -1.807313114e-03 5.44 -1.561793098e-03 -1.561793098e-03 5.46 -1.349127633e-03 -1.349127633e-03 5.48 -1.165122916e-03 -1.165122916e-03 5.50 -1.006060286e-03 -1.006060286e-03 5.52 -8.686589116e-04 -8.686589116e-04 5.54 -7.500366927e-04 -7.500366927e-04 5.56 -6.476711294e-04 -6.476711294e-04 5.58 -5.593613977e-04 -5.593613977e-04 5.60 -4.831924675e-04 -4.831924675e-04 5.62 -4.175017661e-04 -4.175017661e-04 5.64 -3.608486502e-04 -3.608486502e-04 5.66 -3.119867733e-04 -3.119867733e-04 5.68 -2.698393054e-04 -2.698393054e-04 5.70 -2.334768843e-04 -2.334768843e-04 5.72 -2.020981207e-04 -2.020981207e-04 5.74 -1.750124536e-04 -1.750124536e-04 5.76 -1.516251391e-04 -1.516251391e-04 5.78 -1.314241558e-04 -1.314241558e-04 5.80 -1.139688176e-04 -1.139688176e-04 5.82 -9.887989691e-05 -9.887989691e-05 5.84 -8.583107653e-05 -8.583107653e-05 5.86 -7.454156404e-05 -7.454156404e-05 5.88 -6.476972088e-05 -6.476972088e-05 5.90 -5.630757273e-05 -5.630757273e-05 5.92 -4.897608424e-05 -4.897608424e-05 5.94 -4.262109458e-05 -4.262109458e-05 5.96 -3.710982368e-05 -3.710982368e-05 5.98 -3.232787036e-05 -3.232787036e-05 6.00 -2.817663386e-05 -2.817663386e-05