# 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 = Cu2FeTa # 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 1.750081262e+02 1.750081262e+02 1.30 1.605487871e+02 1.605487871e+02 1.32 1.472440477e+02 1.472440477e+02 1.34 1.349927692e+02 1.349927692e+02 1.36 1.237069164e+02 1.237069164e+02 1.38 1.133097647e+02 1.133097647e+02 1.40 1.037333589e+02 1.037333589e+02 1.42 9.491620808e+01 9.491620808e+01 1.44 8.680118025e+01 8.680118025e+01 1.46 7.933366188e+01 7.933366188e+01 1.48 7.246046963e+01 7.246046963e+01 1.50 6.612994004e+01 6.612994004e+01 1.52 6.029306058e+01 6.029306058e+01 1.54 5.490489822e+01 5.490489822e+01 1.56 4.992555123e+01 4.992555123e+01 1.58 4.532039152e+01 4.532039152e+01 1.60 4.105979849e+01 4.105979849e+01 1.62 3.711856577e+01 3.711856577e+01 1.64 3.347504971e+01 3.347504971e+01 1.66 3.011404262e+01 3.011404262e+01 1.68 2.702014196e+01 2.702014196e+01 1.70 2.417559977e+01 2.417559977e+01 1.72 2.156289211e+01 2.156289211e+01 1.74 1.916488406e+01 1.916488406e+01 1.76 1.696494738e+01 1.696494738e+01 1.78 1.494751343e+01 1.494751343e+01 1.80 1.309832509e+01 1.309832509e+01 1.82 1.140446339e+01 1.140446339e+01 1.84 9.854230141e+00 9.854230141e+00 1.86 8.436907103e+00 8.436907103e+00 1.88 7.142486183e+00 7.142486183e+00 1.90 5.961446901e+00 5.961446901e+00 1.92 4.884621600e+00 4.884621600e+00 1.94 3.903156091e+00 3.903156091e+00 1.96 3.008550396e+00 3.008550396e+00 1.98 2.192752394e+00 2.192752394e+00 2.00 1.448277403e+00 1.448277403e+00 2.02 7.683315289e-01 7.683315289e-01 2.04 1.469150480e-01 1.469150480e-01 2.06 -4.211232744e-01 -4.211232744e-01 2.08 -9.401045648e-01 -9.401045648e-01 2.10 -1.413613204e+00 -1.413613204e+00 2.12 -1.844642660e+00 -1.844642660e+00 2.14 -2.235758923e+00 -2.235758923e+00 2.16 -2.589250918e+00 -2.589250918e+00 2.18 -2.907250681e+00 -2.907250681e+00 2.20 -3.191819185e+00 -3.191819185e+00 2.22 -3.445002203e+00 -3.445002203e+00 2.24 -3.668864988e+00 -3.668864988e+00 2.26 -3.865509866e+00 -3.865509866e+00 2.28 -4.036941699e+00 -4.036941699e+00 2.30 -4.185553069e+00 -4.185553069e+00 2.32 -4.313925426e+00 -4.313925426e+00 2.34 -4.424597373e+00 -4.424597373e+00 2.36 -4.519962059e+00 -4.519962059e+00 2.38 -4.601995594e+00 -4.601995594e+00 2.40 -4.671759687e+00 -4.671759687e+00 2.42 -4.730103316e+00 -4.730103316e+00 2.44 -4.777836646e+00 -4.777836646e+00 2.46 -4.815692380e+00 -4.815692380e+00 2.48 -4.844312758e+00 -4.844312758e+00 2.50 -4.864256863e+00 -4.864256863e+00 2.52 -4.876019810e+00 -4.876019810e+00 2.54 -4.880055579e+00 -4.880055579e+00 2.56 -4.876797579e+00 -4.876797579e+00 2.58 -4.866673993e+00 -4.866673993e+00 2.60 -4.850117582e+00 -4.850117582e+00 2.62 -4.827571151e+00 -4.827571151e+00 2.64 -4.799490206e+00 -4.799490206e+00 2.66 -4.766343696e+00 -4.766343696e+00 2.68 -4.728612951e+00 -4.728612951e+00 2.70 -4.686790483e+00 -4.686790483e+00 2.72 -4.641468899e+00 -4.641468899e+00 2.74 -4.593477444e+00 -4.593477444e+00 2.76 -4.542902445e+00 -4.542902445e+00 2.78 -4.489793509e+00 -4.489793509e+00 2.80 -4.434251073e+00 -4.434251073e+00 2.82 -4.376414477e+00 -4.376414477e+00 2.84 -4.316452855e+00 -4.316452855e+00 2.86 -4.254541712e+00 -4.254541712e+00 2.88 -4.190778622e+00 -4.190778622e+00 2.90 -4.125273548e+00 -4.125273548e+00 2.92 -4.058180531e+00 -4.058180531e+00 2.94 -3.989648583e+00 -3.989648583e+00 2.96 -3.919810091e+00 -3.919810091e+00 2.98 -3.848774965e+00 -3.848774965e+00 3.00 -3.776627575e+00 -3.776627575e+00 3.02 -3.703426305e+00 -3.703426305e+00 3.04 -3.629205340e+00 -3.629205340e+00 3.06 -3.553978193e+00 -3.553978193e+00 3.08 -3.477742570e+00 -3.477742570e+00 3.10 -3.400486332e+00 -3.400486332e+00 3.12 -3.322194426e+00 -3.322194426e+00 3.14 -3.242856681e+00 -3.242856681e+00 3.16 -3.162476344e+00 -3.162476344e+00 3.18 -3.081079015e+00 -3.081079015e+00 3.20 -2.998721436e+00 -2.998721436e+00 3.22 -2.915499286e+00 -2.915499286e+00 3.24 -2.831552955e+00 -2.831552955e+00 3.26 -2.747070185e+00 -2.747070185e+00 3.28 -2.662284599e+00 -2.662284599e+00 3.30 -2.577469543e+00 -2.577469543e+00 3.32 -2.492927307e+00 -2.492927307e+00 3.34 -2.408974461e+00 -2.408974461e+00 3.36 -2.325924816e+00 -2.325924816e+00 3.38 -2.244071901e+00 -2.244071901e+00 3.40 -2.163673009e+00 -2.163673009e+00 3.42 -2.084936569e+00 -2.084936569e+00 3.44 -2.008014029e+00 -2.008014029e+00 3.46 -1.932996696e+00 -1.932996696e+00 3.48 -1.859917295e+00 -1.859917295e+00 3.50 -1.788755443e+00 -1.788755443e+00 3.52 -1.719446003e+00 -1.719446003e+00 3.54 -1.651889164e+00 -1.651889164e+00 3.56 -1.585961286e+00 -1.585961286e+00 3.58 -1.521525730e+00 -1.521525730e+00 3.60 -1.458443164e+00 -1.458443164e+00 3.62 -1.396581042e+00 -1.396581042e+00 3.64 -1.335822103e+00 -1.335822103e+00 3.66 -1.276071789e+00 -1.276071789e+00 3.68 -1.217264497e+00 -1.217264497e+00 3.70 -1.159368514e+00 -1.159368514e+00 3.72 -1.102389417e+00 -1.102389417e+00 3.74 -1.046371649e+00 -1.046371649e+00 3.76 -9.913979372e-01 -9.913979372e-01 3.78 -9.375862942e-01 -9.375862942e-01 3.80 -8.850844312e-01 -8.850844312e-01 3.82 -8.340616823e-01 -8.340616823e-01 3.84 -7.846988251e-01 -7.846988251e-01 3.86 -7.371765246e-01 -7.371765246e-01 3.88 -6.916634046e-01 -6.916634046e-01 3.90 -6.483048970e-01 -6.483048970e-01 3.92 -6.072139709e-01 -6.072139709e-01 3.94 -5.684646015e-01 -5.684646015e-01 3.96 -5.320884391e-01 -5.320884391e-01 3.98 -4.980746980e-01 -4.980746980e-01 4.00 -4.663728745e-01 -4.663728745e-01 4.02 -4.368976278e-01 -4.368976278e-01 4.04 -4.095350349e-01 -4.095350349e-01 4.06 -3.841494501e-01 -3.841494501e-01 4.08 -3.605903264e-01 -3.605903264e-01 4.10 -3.386985351e-01 -3.386985351e-01 4.12 -3.183119079e-01 -3.183119079e-01 4.14 -2.992698859e-01 -2.992698859e-01 4.16 -2.814172917e-01 -2.814172917e-01 4.18 -2.646073175e-01 -2.646073175e-01 4.20 -2.487038660e-01 -2.487038660e-01 4.22 -2.335833918e-01 -2.335833918e-01 4.24 -2.191363702e-01 -2.191363702e-01 4.26 -2.052684888e-01 -2.052684888e-01 4.28 -1.919016042e-01 -1.919016042e-01 4.30 -1.789744523e-01 -1.789744523e-01 4.32 -1.664430537e-01 -1.664430537e-01 4.34 -1.542807014e-01 -1.542807014e-01 4.36 -1.424772235e-01 -1.424772235e-01 4.38 -1.310379389e-01 -1.310379389e-01 4.40 -1.199821317e-01 -1.199821317e-01 4.42 -1.093397126e-01 -1.093397126e-01 4.44 -9.914788701e-02 -9.914788701e-02 4.46 -8.944737377e-02 -8.944737377e-02 4.48 -8.027846819e-02 -8.027846819e-02 4.50 -7.167731196e-02 -7.167731196e-02 4.52 -6.367271759e-02 -6.367271759e-02 4.54 -5.628382452e-02 -5.628382452e-02 4.56 -4.951874829e-02 -4.951874829e-02 4.58 -4.337424188e-02 -4.337424188e-02 4.60 -3.783627259e-02 -3.783627259e-02 4.62 -3.288132610e-02 -3.288132610e-02 4.64 -2.847818358e-02 -2.847818358e-02 4.66 -2.458991656e-02 -2.458991656e-02 4.68 -2.117589216e-02 -2.117589216e-02 4.70 -1.819362821e-02 -1.819362821e-02 4.72 -1.559982187e-02 -1.559982187e-02 4.74 -1.335282367e-02 -1.335282367e-02 4.76 -1.141339465e-02 -1.141339465e-02 4.78 -9.744653145e-03 -9.744653145e-03 4.80 -8.312589774e-03 -8.312589774e-03 4.82 -7.086325014e-03 -7.086325014e-03 4.84 -6.038172317e-03 -6.038172317e-03 4.86 -5.143564714e-03 -5.143564714e-03 4.88 -4.380889501e-03 -4.380889501e-03 4.90 -3.731267677e-03 -3.731267677e-03 4.92 -3.178305118e-03 -3.178305118e-03 4.94 -2.707834904e-03 -2.707834904e-03 4.96 -2.307664108e-03 -2.307664108e-03 4.98 -1.967333623e-03 -1.967333623e-03 5.00 -1.677896058e-03 -1.677896058e-03 5.02 -1.431714200e-03 -1.431714200e-03 5.04 -1.222280790e-03 -1.222280790e-03 5.06 -1.044059194e-03 -1.044059194e-03 5.08 -8.923438151e-04 -8.923438151e-04 5.10 -7.631386880e-04 -7.631386880e-04 5.12 -6.530525160e-04 -6.530525160e-04 5.14 -5.592083472e-04 -5.592083472e-04 5.16 -4.791661537e-04 -4.791661537e-04 5.18 -4.108566772e-04 -4.108566772e-04 5.20 -3.525250444e-04 -3.525250444e-04 5.22 -3.026828082e-04 -3.026828082e-04 5.24 -2.600672207e-04 -2.600672207e-04 5.26 -2.236066922e-04 -2.236066922e-04 5.28 -1.923915241e-04 -1.923915241e-04 5.30 -1.656491294e-04 -1.656491294e-04 5.32 -1.427230619e-04 -1.427230619e-04 5.34 -1.230552766e-04 -1.230552766e-04 5.36 -1.061711241e-04 -1.061711241e-04 5.38 -9.166665946e-05 -9.166665946e-05 5.40 -7.919790746e-05 -7.919790746e-05 5.42 -6.847178112e-05 -6.847178112e-05 5.44 -5.923839722e-05 -5.923839722e-05 5.46 -5.128457182e-05 -5.128457182e-05 5.48 -4.442831248e-05 -4.442831248e-05 5.50 -3.851415259e-05 -3.851415259e-05 5.52 -3.340919716e-05 -3.340919716e-05 5.54 -2.899976994e-05 -2.899976994e-05 5.56 -2.518856887e-05 -2.518856887e-05 5.58 -2.189225155e-05 -2.189225155e-05 5.60 -1.903938439e-05 -1.903938439e-05 5.62 -1.656869976e-05 -1.656869976e-05 5.64 -1.442761395e-05 -1.442761395e-05 5.66 -1.257096603e-05 -1.257096603e-05 5.68 -1.095994416e-05 -1.095994416e-05 5.70 -9.561170744e-06 -9.561170744e-06 5.72 -8.345922569e-06 -8.345922569e-06 5.74 -7.289465465e-06 -7.289465465e-06 5.76 -6.370486356e-06 -6.370486356e-06 5.78 -5.570608113e-06 -5.570608113e-06 5.80 -4.873974871e-06 -4.873974871e-06 5.82 -4.266897332e-06 -4.266897332e-06 5.84 -3.737549184e-06 -3.737549184e-06 5.86 -3.275707102e-06 -3.275707102e-06 5.88 -2.872527921e-06 -2.872527921e-06 5.90 -2.520357545e-06 -2.520357545e-06 5.92 -2.212566968e-06 -2.212566968e-06 5.94 -1.943411469e-06 -1.943411469e-06 5.96 -1.707909618e-06 -1.707909618e-06 5.98 -1.501739264e-06 -1.501739264e-06 6.00 -1.321148030e-06 -1.321148030e-06