# 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 = AlW2Zr # 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 3.326403896e+02 3.326403896e+02 1.30 3.083360371e+02 3.083360371e+02 1.32 2.858583419e+02 2.858583419e+02 1.34 2.650492136e+02 2.650492136e+02 1.36 2.457646839e+02 2.457646839e+02 1.38 2.278756735e+02 2.278756735e+02 1.40 2.112677853e+02 2.112677853e+02 1.42 1.958392707e+02 1.958392707e+02 1.44 1.814981376e+02 1.814981376e+02 1.46 1.681602007e+02 1.681602007e+02 1.48 1.557487983e+02 1.557487983e+02 1.50 1.441952695e+02 1.441952695e+02 1.52 1.334389177e+02 1.334389177e+02 1.54 1.234260648e+02 1.234260648e+02 1.56 1.141086636e+02 1.141086636e+02 1.58 1.054430751e+02 1.054430751e+02 1.60 9.738894764e+01 9.738894764e+01 1.62 8.990804633e+01 8.990804633e+01 1.64 8.296314938e+01 8.296314938e+01 1.66 7.651737212e+01 7.651737212e+01 1.68 7.053415405e+01 7.053415405e+01 1.70 6.497789221e+01 6.497789221e+01 1.72 5.981480736e+01 5.981480736e+01 1.74 5.501366541e+01 5.501366541e+01 1.76 5.054614584e+01 5.054614584e+01 1.78 4.638692144e+01 4.638692144e+01 1.80 4.251350054e+01 4.251350054e+01 1.82 3.890593923e+01 3.890593923e+01 1.84 3.554638997e+01 3.554638997e+01 1.86 3.241870911e+01 3.241870911e+01 1.88 2.950812483e+01 2.950812483e+01 1.90 2.680099447e+01 2.680099447e+01 1.92 2.428455023e+01 2.428455023e+01 1.94 2.194712271e+01 2.194712271e+01 1.96 1.977812589e+01 1.977812589e+01 1.98 1.776657190e+01 1.776657190e+01 2.00 1.590145674e+01 1.590145674e+01 2.02 1.417288482e+01 1.417288482e+01 2.04 1.257172527e+01 1.257172527e+01 2.06 1.108827482e+01 1.108827482e+01 2.08 9.713252449e+00 9.713252449e+00 2.10 8.437763900e+00 8.437763900e+00 2.12 7.253341963e+00 7.253341963e+00 2.14 6.152055483e+00 6.152055483e+00 2.16 5.126670358e+00 5.126670358e+00 2.18 4.170774363e+00 4.170774363e+00 2.20 3.278828472e+00 3.278828472e+00 2.22 2.446116012e+00 2.446116012e+00 2.24 1.668634517e+00 1.668634517e+00 2.26 9.429639296e-01 9.429639296e-01 2.28 2.661375421e-01 2.661375421e-01 2.30 -3.644574727e-01 -3.644574727e-01 2.32 -9.511866844e-01 -9.511866844e-01 2.34 -1.496214883e+00 -1.496214883e+00 2.36 -2.001579350e+00 -2.001579350e+00 2.38 -2.469225905e+00 -2.469225905e+00 2.40 -2.901037449e+00 -2.901037449e+00 2.42 -3.298856961e+00 -3.298856961e+00 2.44 -3.664496951e+00 -3.664496951e+00 2.46 -3.999749535e+00 -3.999749535e+00 2.48 -4.306384816e+00 -4.306384816e+00 2.50 -4.586141883e+00 -4.586141883e+00 2.52 -4.840712926e+00 -4.840712926e+00 2.54 -5.071724095e+00 -5.071724095e+00 2.56 -5.280717907e+00 -5.280717907e+00 2.58 -5.469140970e+00 -5.469140970e+00 2.60 -5.638337459e+00 -5.638337459e+00 2.62 -5.789543208e+00 -5.789543208e+00 2.64 -5.923824711e+00 -5.923824711e+00 2.66 -6.042111000e+00 -6.042111000e+00 2.68 -6.145454348e+00 -6.145454348e+00 2.70 -6.234799303e+00 -6.234799303e+00 2.72 -6.310995554e+00 -6.310995554e+00 2.74 -6.374824717e+00 -6.374824717e+00 2.76 -6.427025244e+00 -6.427025244e+00 2.78 -6.468310023e+00 -6.468310023e+00 2.80 -6.499413462e+00 -6.499413462e+00 2.82 -6.520708226e+00 -6.520708226e+00 2.84 -6.532213120e+00 -6.532213120e+00 2.86 -6.534027032e+00 -6.534027032e+00 2.88 -6.526336905e+00 -6.526336905e+00 2.90 -6.509412510e+00 -6.509412510e+00 2.92 -6.483605095e+00 -6.483605095e+00 2.94 -6.449347293e+00 -6.449347293e+00 2.96 -6.407146426e+00 -6.407146426e+00 2.98 -6.357495092e+00 -6.357495092e+00 3.00 -6.300888977e+00 -6.300888977e+00 3.02 -6.237889349e+00 -6.237889349e+00 3.04 -6.169095100e+00 -6.169095100e+00 3.06 -6.095115152e+00 -6.095115152e+00 3.08 -6.016527634e+00 -6.016527634e+00 3.10 -5.934091408e+00 -5.934091408e+00 3.12 -5.848969447e+00 -5.848969447e+00 3.14 -5.761236003e+00 -5.761236003e+00 3.16 -5.670823677e+00 -5.670823677e+00 3.18 -5.577642058e+00 -5.577642058e+00 3.20 -5.481581673e+00 -5.481581673e+00 3.22 -5.382526284e+00 -5.382526284e+00 3.24 -5.280370532e+00 -5.280370532e+00 3.26 -5.175056750e+00 -5.175056750e+00 3.28 -5.066575125e+00 -5.066575125e+00 3.30 -4.954961742e+00 -4.954961742e+00 3.32 -4.840308265e+00 -4.840308265e+00 3.34 -4.722768515e+00 -4.722768515e+00 3.36 -4.602562936e+00 -4.602562936e+00 3.38 -4.479982126e+00 -4.479982126e+00 3.40 -4.355389065e+00 -4.355389065e+00 3.42 -4.229224674e+00 -4.229224674e+00 3.44 -4.102000649e+00 -4.102000649e+00 3.46 -3.974296842e+00 -3.974296842e+00 3.48 -3.846746438e+00 -3.846746438e+00 3.50 -3.720015160e+00 -3.720015160e+00 3.52 -3.594774965e+00 -3.594774965e+00 3.54 -3.471675008e+00 -3.471675008e+00 3.56 -3.351313279e+00 -3.351313279e+00 3.58 -3.234212112e+00 -3.234212112e+00 3.60 -3.120800035e+00 -3.120800035e+00 3.62 -3.011401290e+00 -3.011401290e+00 3.64 -2.906233203e+00 -2.906233203e+00 3.66 -2.805410620e+00 -2.805410620e+00 3.68 -2.708955941e+00 -2.708955941e+00 3.70 -2.616813001e+00 -2.616813001e+00 3.72 -2.528863022e+00 -2.528863022e+00 3.74 -2.444941108e+00 -2.444941108e+00 3.76 -2.364852016e+00 -2.364852016e+00 3.78 -2.288384285e+00 -2.288384285e+00 3.80 -2.215322093e+00 -2.215322093e+00 3.82 -2.145454409e+00 -2.145454409e+00 3.84 -2.078581260e+00 -2.078581260e+00 3.86 -2.014517099e+00 -2.014517099e+00 3.88 -1.953091541e+00 -1.953091541e+00 3.90 -1.894147991e+00 -1.894147991e+00 3.92 -1.837539351e+00 -1.837539351e+00 3.94 -1.783131289e+00 -1.783131289e+00 3.96 -1.730789044e+00 -1.730789044e+00 3.98 -1.680382658e+00 -1.680382658e+00 4.00 -1.631784176e+00 -1.631784176e+00 4.02 -1.584867886e+00 -1.584867886e+00 4.04 -1.539511382e+00 -1.539511382e+00 4.06 -1.495597102e+00 -1.495597102e+00 4.08 -1.453014010e+00 -1.453014010e+00 4.10 -1.411653683e+00 -1.411653683e+00 4.12 -1.371434752e+00 -1.371434752e+00 4.14 -1.332267617e+00 -1.332267617e+00 4.16 -1.294080955e+00 -1.294080955e+00 4.18 -1.256815500e+00 -1.256815500e+00 4.20 -1.220424389e+00 -1.220424389e+00 4.22 -1.184873187e+00 -1.184873187e+00 4.24 -1.150139527e+00 -1.150139527e+00 4.26 -1.116212284e+00 -1.116212284e+00 4.28 -1.083090222e+00 -1.083090222e+00 4.30 -1.050780093e+00 -1.050780093e+00 4.32 -1.019294261e+00 -1.019294261e+00 4.34 -9.886479816e-01 -9.886479816e-01 4.36 -9.588565679e-01 -9.588565679e-01 4.38 -9.299326787e-01 -9.299326787e-01 4.40 -9.018839967e-01 -9.018839967e-01 4.42 -8.747114889e-01 -8.747114889e-01 4.44 -8.484083687e-01 -8.484083687e-01 4.46 -8.229597741e-01 -8.229597741e-01 4.48 -7.983430900e-01 -7.983430900e-01 4.50 -7.745287729e-01 -7.745287729e-01 4.52 -7.514815067e-01 -7.514815067e-01 4.54 -7.291615225e-01 -7.291615225e-01 4.56 -7.075259318e-01 -7.075259318e-01 4.58 -6.865299774e-01 -6.865299774e-01 4.60 -6.661281331e-01 -6.661281331e-01 4.62 -6.462749257e-01 -6.462749257e-01 4.64 -6.269257361e-01 -6.269257361e-01 4.66 -6.080378896e-01 -6.080378896e-01 4.68 -5.895706765e-01 -5.895706765e-01 4.70 -5.714858391e-01 -5.714858391e-01 4.72 -5.537480489e-01 -5.537480489e-01 4.74 -5.363253745e-01 -5.363253745e-01 4.76 -5.191897639e-01 -5.191897639e-01 4.78 -5.023175525e-01 -5.023175525e-01 4.80 -4.856868027e-01 -4.856868027e-01 4.82 -4.692910936e-01 -4.692910936e-01 4.84 -4.531191611e-01 -4.531191611e-01 4.86 -4.371698190e-01 -4.371698190e-01 4.88 -4.214482999e-01 -4.214482999e-01 4.90 -4.059661984e-01 -4.059661984e-01 4.92 -3.907411164e-01 -3.907411164e-01 4.94 -3.757959755e-01 -3.757959755e-01 4.96 -3.611579873e-01 -3.611579873e-01 4.98 -3.468573142e-01 -3.468573142e-01 5.00 -3.329254919e-01 -3.329254919e-01 5.02 -3.193937205e-01 -3.193937205e-01 5.04 -3.062911538e-01 -3.062911538e-01 5.06 -2.936433264e-01 -2.936433264e-01 5.08 -2.814708408e-01 -2.814708408e-01 5.10 -2.697884114e-01 -2.697884114e-01 5.12 -2.586043192e-01 -2.586043192e-01 5.14 -2.479202864e-01 -2.479202864e-01 5.16 -2.377317383e-01 -2.377317383e-01 5.18 -2.280283884e-01 -2.280283884e-01 5.20 -2.187950620e-01 -2.187950620e-01 5.22 -2.100126699e-01 -2.100126699e-01 5.24 -2.016592461e-01 -2.016592461e-01 5.26 -1.937109780e-01 -1.937109780e-01 5.28 -1.861431717e-01 -1.861431717e-01 5.30 -1.789311151e-01 -1.789311151e-01 5.32 -1.720508125e-01 -1.720508125e-01 5.34 -1.654795775e-01 -1.654795775e-01 5.36 -1.591964817e-01 -1.591964817e-01 5.38 -1.531826584e-01 -1.531826584e-01 5.40 -1.474214633e-01 -1.474214633e-01 5.42 -1.418985039e-01 -1.418985039e-01 5.44 -1.366015454e-01 -1.366015454e-01 5.46 -1.315203114e-01 -1.315203114e-01 5.48 -1.266461926e-01 -1.266461926e-01 5.50 -1.219718993e-01 -1.219718993e-01 5.52 -1.174910824e-01 -1.174910824e-01 5.54 -1.131979526e-01 -1.131979526e-01 5.56 -1.090869281e-01 -1.090869281e-01 5.58 -1.051523386e-01 -1.051523386e-01 5.60 -1.013880761e-01 -1.013880761e-01 5.62 -9.778764024e-02 -9.778764024e-02 5.64 -9.434419247e-02 -9.434419247e-02 5.66 -9.105033899e-02 -9.105033899e-02 5.68 -8.789820138e-02 -8.789820138e-02 5.70 -8.487952581e-02 -8.487952581e-02 5.72 -8.198581183e-02 -8.198581183e-02 5.74 -7.920844502e-02 -7.920844502e-02 5.76 -7.653882126e-02 -7.653882126e-02 5.78 -7.396845475e-02 -7.396845475e-02 5.80 -7.148906561e-02 -7.148906561e-02 5.82 -6.909264607e-02 -6.909264607e-02 5.84 -6.677150684e-02 -6.677150684e-02 5.86 -6.451830665e-02 -6.451830665e-02 5.88 -6.232606874e-02 -6.232606874e-02 5.90 -6.018818877e-02 -6.018818877e-02 5.92 -5.809843813e-02 -5.809843813e-02 5.94 -5.605096652e-02 -5.605096652e-02 5.96 -5.404030740e-02 -5.404030740e-02 5.98 -5.206138887e-02 -5.206138887e-02 6.00 -5.010955246e-02 -5.010955246e-02