# 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 = AgAl2Ti # 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 1.560568603e+02 1.560568603e+02 1.30 1.449625698e+02 1.449625698e+02 1.32 1.346725556e+02 1.346725556e+02 1.34 1.251231446e+02 1.251231446e+02 1.36 1.162553886e+02 1.162553886e+02 1.38 1.080160268e+02 1.080160268e+02 1.40 1.003572487e+02 1.003572487e+02 1.42 9.323539692e+01 9.323539692e+01 1.44 8.660954189e+01 8.660954189e+01 1.46 8.044080926e+01 8.044080926e+01 1.48 7.469287367e+01 7.469287367e+01 1.50 6.933313717e+01 6.933313717e+01 1.52 6.433338691e+01 6.433338691e+01 1.54 5.966924133e+01 5.966924133e+01 1.56 5.531888195e+01 5.531888195e+01 1.58 5.126192102e+01 5.126192102e+01 1.60 4.747876813e+01 4.747876813e+01 1.62 4.395041320e+01 4.395041320e+01 1.64 4.065843210e+01 4.065843210e+01 1.66 3.758524577e+01 3.758524577e+01 1.68 3.471441138e+01 3.471441138e+01 1.70 3.203152750e+01 3.203152750e+01 1.72 2.952321502e+01 2.952321502e+01 1.74 2.718001335e+01 2.718001335e+01 1.76 2.499100091e+01 2.499100091e+01 1.78 2.294584013e+01 2.294584013e+01 1.80 2.103502257e+01 2.103502257e+01 1.82 1.924982459e+01 1.924982459e+01 1.84 1.758231095e+01 1.758231095e+01 1.86 1.602527821e+01 1.602527821e+01 1.88 1.457211500e+01 1.457211500e+01 1.90 1.321661814e+01 1.321661814e+01 1.92 1.195281675e+01 1.195281675e+01 1.94 1.077485273e+01 1.077485273e+01 1.96 9.676954782e+00 9.676954782e+00 1.98 8.653512592e+00 8.653512592e+00 2.00 7.699215001e+00 7.699215001e+00 2.02 6.809186410e+00 6.809186410e+00 2.04 5.979059758e+00 5.979059758e+00 2.06 5.204959418e+00 5.204959418e+00 2.08 4.483413874e+00 4.483413874e+00 2.10 3.811244535e+00 3.811244535e+00 2.12 3.185470142e+00 3.185470142e+00 2.14 2.603244861e+00 2.603244861e+00 2.16 2.061831984e+00 2.061831984e+00 2.18 1.558606412e+00 1.558606412e+00 2.20 1.091074304e+00 1.091074304e+00 2.22 6.568957560e-01 6.568957560e-01 2.24 2.539008254e-01 2.539008254e-01 2.26 -1.199038546e-01 -1.199038546e-01 2.28 -4.663353059e-01 -4.663353059e-01 2.30 -7.870378349e-01 -7.870378349e-01 2.32 -1.083490561e+00 -1.083490561e+00 2.34 -1.357018884e+00 -1.357018884e+00 2.36 -1.608811898e+00 -1.608811898e+00 2.38 -1.839945629e+00 -1.839945629e+00 2.40 -2.051411774e+00 -2.051411774e+00 2.42 -2.244149661e+00 -2.244149661e+00 2.44 -2.419077445e+00 -2.419077445e+00 2.46 -2.577118940e+00 -2.577118940e+00 2.48 -2.719223062e+00 -2.719223062e+00 2.50 -2.846375009e+00 -2.846375009e+00 2.52 -2.959600249e+00 -2.959600249e+00 2.54 -3.059990291e+00 -3.059990291e+00 2.56 -3.148671758e+00 -3.148671758e+00 2.58 -3.226713993e+00 -3.226713993e+00 2.60 -3.295203827e+00 -3.295203827e+00 2.62 -3.355215459e+00 -3.355215459e+00 2.64 -3.407763795e+00 -3.407763795e+00 2.66 -3.453753514e+00 -3.453753514e+00 2.68 -3.493939059e+00 -3.493939059e+00 2.70 -3.528888247e+00 -3.528888247e+00 2.72 -3.558935412e+00 -3.558935412e+00 2.74 -3.584291714e+00 -3.584291714e+00 2.76 -3.605101450e+00 -3.605101450e+00 2.78 -3.621787260e+00 -3.621787260e+00 2.80 -3.635426731e+00 -3.635426731e+00 2.82 -3.645765575e+00 -3.645765575e+00 2.84 -3.652503843e+00 -3.652503843e+00 2.86 -3.655420039e+00 -3.655420039e+00 2.88 -3.654361116e+00 -3.654361116e+00 2.90 -3.649233771e+00 -3.649233771e+00 2.92 -3.640003043e+00 -3.640003043e+00 2.94 -3.626751680e+00 -3.626751680e+00 2.96 -3.609517532e+00 -3.609517532e+00 2.98 -3.588388104e+00 -3.588388104e+00 3.00 -3.563529617e+00 -3.563529617e+00 3.02 -3.535179996e+00 -3.535179996e+00 3.04 -3.503645935e+00 -3.503645935e+00 3.06 -3.469291225e+00 -3.469291225e+00 3.08 -3.432515517e+00 -3.432515517e+00 3.10 -3.393727128e+00 -3.393727128e+00 3.12 -3.353314651e+00 -3.353314651e+00 3.14 -3.311625900e+00 -3.311625900e+00 3.16 -3.268950913e+00 -3.268950913e+00 3.18 -3.225514153e+00 -3.225514153e+00 3.20 -3.181477937e+00 -3.181477937e+00 3.22 -3.136951817e+00 -3.136951817e+00 3.24 -3.092004597e+00 -3.092004597e+00 3.26 -3.046676450e+00 -3.046676450e+00 3.28 -3.000989506e+00 -3.000989506e+00 3.30 -2.954956274e+00 -2.954956274e+00 3.32 -2.908585882e+00 -2.908585882e+00 3.34 -2.861888475e+00 -2.861888475e+00 3.36 -2.814878228e+00 -2.814878228e+00 3.38 -2.767575409e+00 -2.767575409e+00 3.40 -2.720007777e+00 -2.720007777e+00 3.42 -2.672211644e+00 -2.672211644e+00 3.44 -2.624232439e+00 -2.624232439e+00 3.46 -2.576125122e+00 -2.576125122e+00 3.48 -2.527954093e+00 -2.527954093e+00 3.50 -2.479792544e+00 -2.479792544e+00 3.52 -2.431721052e+00 -2.431721052e+00 3.54 -2.383825268e+00 -2.383825268e+00 3.56 -2.336192703e+00 -2.336192703e+00 3.58 -2.288908859e+00 -2.288908859e+00 3.60 -2.242053162e+00 -2.242053162e+00 3.62 -2.195695293e+00 -2.195695293e+00 3.64 -2.149892480e+00 -2.149892480e+00 3.66 -2.104688092e+00 -2.104688092e+00 3.68 -2.060111543e+00 -2.060111543e+00 3.70 -2.016179292e+00 -2.016179292e+00 3.72 -1.972896527e+00 -1.972896527e+00 3.74 -1.930259157e+00 -1.930259157e+00 3.76 -1.888255794e+00 -1.888255794e+00 3.78 -1.846869544e+00 -1.846869544e+00 3.80 -1.806079553e+00 -1.806079553e+00 3.82 -1.765862284e+00 -1.765862284e+00 3.84 -1.726192578e+00 -1.726192578e+00 3.86 -1.687044534e+00 -1.687044534e+00 3.88 -1.648392216e+00 -1.648392216e+00 3.90 -1.610210227e+00 -1.610210227e+00 3.92 -1.572474104e+00 -1.572474104e+00 3.94 -1.535160704e+00 -1.535160704e+00 3.96 -1.498248186e+00 -1.498248186e+00 3.98 -1.461716154e+00 -1.461716154e+00 4.00 -1.425545587e+00 -1.425545587e+00 4.02 -1.389718775e+00 -1.389718775e+00 4.04 -1.354219310e+00 -1.354219310e+00 4.06 -1.319032195e+00 -1.319032195e+00 4.08 -1.284144163e+00 -1.284144163e+00 4.10 -1.249544166e+00 -1.249544166e+00 4.12 -1.215224577e+00 -1.215224577e+00 4.14 -1.181181813e+00 -1.181181813e+00 4.16 -1.147418100e+00 -1.147418100e+00 4.18 -1.113942890e+00 -1.113942890e+00 4.20 -1.080774339e+00 -1.080774339e+00 4.22 -1.047940519e+00 -1.047940519e+00 4.24 -1.015480124e+00 -1.015480124e+00 4.26 -9.834424037e-01 -9.834424037e-01 4.28 -9.518861572e-01 -9.518861572e-01 4.30 -9.208776615e-01 -9.208776615e-01 4.32 -8.904876100e-01 -8.904876100e-01 4.34 -8.607872637e-01 -8.607872637e-01 4.36 -8.318441792e-01 -8.318441792e-01 4.38 -8.037179683e-01 -8.037179683e-01 4.40 -7.764565564e-01 -7.764565564e-01 4.42 -7.500933359e-01 -7.500933359e-01 4.44 -7.246454652e-01 -7.246454652e-01 4.46 -7.001133915e-01 -7.001133915e-01 4.48 -6.764815033e-01 -6.764815033e-01 4.50 -6.537196908e-01 -6.537196908e-01 4.52 -6.317855228e-01 -6.317855228e-01 4.54 -6.106267402e-01 -6.106267402e-01 4.56 -5.901838028e-01 -5.901838028e-01 4.58 -5.703922940e-01 -5.703922940e-01 4.60 -5.511850627e-01 -5.511850627e-01 4.62 -5.324940523e-01 -5.324940523e-01 4.64 -5.142518233e-01 -5.142518233e-01 4.66 -4.963928150e-01 -4.963928150e-01 4.68 -4.788544128e-01 -4.788544128e-01 4.70 -4.615778977e-01 -4.615778977e-01 4.72 -4.445093470e-01 -4.445093470e-01 4.74 -4.276005472e-01 -4.276005472e-01 4.76 -4.108099562e-01 -4.108099562e-01 4.78 -3.941037299e-01 -3.941037299e-01 4.80 -3.774567485e-01 -3.774567485e-01 4.82 -3.608539112e-01 -3.608539112e-01 4.84 -3.442908118e-01 -3.442908118e-01 4.86 -3.277748038e-01 -3.277748038e-01 4.88 -3.113254670e-01 -3.113254670e-01 4.90 -2.949746991e-01 -2.949746991e-01 4.92 -2.787662465e-01 -2.787662465e-01 4.94 -2.627545822e-01 -2.627545822e-01 4.96 -2.470030947e-01 -2.470030947e-01 4.98 -2.315816192e-01 -2.315816192e-01 5.00 -2.165634283e-01 -2.165634283e-01 5.02 -2.020218708e-01 -2.020218708e-01 5.04 -1.880269110e-01 -1.880269110e-01 5.06 -1.746418456e-01 -1.746418456e-01 5.08 -1.619204656e-01 -1.619204656e-01 5.10 -1.499048838e-01 -1.499048838e-01 5.12 -1.386241677e-01 -1.386241677e-01 5.14 -1.280938289e-01 -1.280938289e-01 5.16 -1.183161233e-01 -1.183161233e-01 5.18 -1.092810441e-01 -1.092810441e-01 5.20 -1.009678371e-01 -1.009678371e-01 5.22 -9.334684870e-02 -9.334684870e-02 5.24 -8.638151844e-02 -8.638151844e-02 5.26 -8.003035893e-02 -8.003035893e-02 5.28 -7.424879795e-02 -7.424879795e-02 5.30 -6.899079902e-02 -6.899079902e-02 5.32 -6.421021724e-02 -6.421021724e-02 5.34 -5.986188042e-02 -5.986188042e-02 5.36 -5.590239923e-02 -5.590239923e-02 5.38 -5.229052056e-02 -5.229052056e-02 5.40 -4.898773496e-02 -4.898773496e-02 5.42 -4.595893877e-02 -4.595893877e-02 5.44 -4.317198797e-02 -4.317198797e-02 5.46 -4.059759134e-02 -4.059759134e-02 5.48 -3.820928133e-02 -3.820928133e-02 5.50 -3.598332388e-02 -3.598332388e-02 5.52 -3.389859402e-02 -3.389859402e-02 5.54 -3.193643762e-02 -3.193643762e-02 5.56 -3.008053177e-02 -3.008053177e-02 5.58 -2.831675184e-02 -2.831675184e-02 5.60 -2.663305346e-02 -2.663305346e-02 5.62 -2.501936528e-02 -2.501936528e-02 5.64 -2.346749087e-02 -2.346749087e-02 5.66 -2.197101442e-02 -2.197101442e-02 5.68 -2.052520282e-02 -2.052520282e-02 5.70 -1.912689586e-02 -1.912689586e-02 5.72 -1.777437642e-02 -1.777437642e-02 5.74 -1.646721381e-02 -1.646721381e-02 5.76 -1.520607621e-02 -1.520607621e-02 5.78 -1.399236171e-02 -1.399236171e-02 5.80 -1.282818849e-02 -1.282818849e-02 5.82 -1.171620397e-02 -1.171620397e-02 5.84 -1.065915333e-02 -1.065915333e-02 5.86 -9.659624427e-03 -9.659624427e-03 5.88 -8.719821024e-03 -8.719821024e-03 5.90 -7.841378575e-03 -7.841378575e-03 5.92 -7.025232684e-03 -7.025232684e-03 5.94 -6.271545132e-03 -6.271545132e-03 5.96 -5.579686738e-03 -5.579686738e-03 5.98 -4.948271210e-03 -4.948271210e-03 6.00 -4.375230345e-03 -4.375230345e-03