# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Beland-L-K-Tamm-A-Mu-S-et-al--Fe-Ni-Cr # implementation = 2017--Beland-L-K--Fe-Ni-Cr--LAMMPS--ipr1 # composition = CrFeNi2 # 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 2.498017966e+02 2.498017966e+02 1.02 2.240753992e+02 2.240753992e+02 1.04 2.023888208e+02 2.023888208e+02 1.06 1.846826175e+02 1.846826175e+02 1.08 1.712711448e+02 1.712711448e+02 1.10 1.623863409e+02 1.623863409e+02 1.12 1.572820777e+02 1.572820777e+02 1.14 1.551474335e+02 1.551474335e+02 1.16 1.550634632e+02 1.550634632e+02 1.18 1.558783226e+02 1.558783226e+02 1.20 1.555496411e+02 1.555496411e+02 1.22 1.518432983e+02 1.518432983e+02 1.24 1.456857692e+02 1.456857692e+02 1.26 1.381348767e+02 1.381348767e+02 1.28 1.299050028e+02 1.299050028e+02 1.30 1.214745865e+02 1.214745865e+02 1.32 1.131476061e+02 1.131476061e+02 1.34 1.049728815e+02 1.049728815e+02 1.36 9.695528098e+01 9.695528098e+01 1.38 8.920240877e+01 8.920240877e+01 1.40 8.185490318e+01 8.185490318e+01 1.42 7.497056493e+01 7.497056493e+01 1.44 6.858643455e+01 6.858643455e+01 1.46 6.269625210e+01 6.269625210e+01 1.48 5.725961205e+01 5.725961205e+01 1.50 5.225438651e+01 5.225438651e+01 1.52 4.765528333e+01 4.765528333e+01 1.54 4.342398648e+01 4.342398648e+01 1.56 3.951727179e+01 3.951727179e+01 1.58 3.590302481e+01 3.590302481e+01 1.60 3.256379473e+01 3.256379473e+01 1.62 2.948341876e+01 2.948341876e+01 1.64 2.664365258e+01 2.664365258e+01 1.66 2.402785231e+01 2.402785231e+01 1.68 2.162031351e+01 2.162031351e+01 1.70 1.940755988e+01 1.940755988e+01 1.72 1.737516534e+01 1.737516534e+01 1.74 1.550763523e+01 1.550763523e+01 1.76 1.378859603e+01 1.378859603e+01 1.78 1.220275536e+01 1.220275536e+01 1.80 1.073671057e+01 1.073671057e+01 1.82 9.376408249e+00 9.376408249e+00 1.84 8.102464990e+00 8.102464990e+00 1.86 6.883767051e+00 6.883767051e+00 1.88 5.695839682e+00 5.695839682e+00 1.90 4.552505923e+00 4.552505923e+00 1.92 3.485987509e+00 3.485987509e+00 1.94 2.518097989e+00 2.518097989e+00 1.96 1.656662237e+00 1.656662237e+00 1.98 8.939444909e-01 8.939444909e-01 2.00 2.149374449e-01 2.149374449e-01 2.02 -3.905200759e-01 -3.905200759e-01 2.04 -9.288916916e-01 -9.288916916e-01 2.06 -1.406314185e+00 -1.406314185e+00 2.08 -1.829936876e+00 -1.829936876e+00 2.10 -2.205659700e+00 -2.205659700e+00 2.12 -2.537903071e+00 -2.537903071e+00 2.14 -2.830864875e+00 -2.830864875e+00 2.16 -3.088448725e+00 -3.088448725e+00 2.18 -3.311537232e+00 -3.311537232e+00 2.20 -3.500259203e+00 -3.500259203e+00 2.22 -3.656212504e+00 -3.656212504e+00 2.24 -3.781961750e+00 -3.781961750e+00 2.26 -3.880887027e+00 -3.880887027e+00 2.28 -3.957291958e+00 -3.957291958e+00 2.30 -4.015652447e+00 -4.015652447e+00 2.32 -4.060074380e+00 -4.060074380e+00 2.34 -4.094673523e+00 -4.094673523e+00 2.36 -4.123170042e+00 -4.123170042e+00 2.38 -4.147383960e+00 -4.147383960e+00 2.40 -4.167265549e+00 -4.167265549e+00 2.42 -4.182189516e+00 -4.182189516e+00 2.44 -4.191591831e+00 -4.191591831e+00 2.46 -4.195385691e+00 -4.195385691e+00 2.48 -4.193753151e+00 -4.193753151e+00 2.50 -4.186573603e+00 -4.186573603e+00 2.52 -4.173538877e+00 -4.173538877e+00 2.54 -4.154322763e+00 -4.154322763e+00 2.56 -4.128668948e+00 -4.128668948e+00 2.58 -4.096855850e+00 -4.096855850e+00 2.60 -4.059400574e+00 -4.059400574e+00 2.62 -4.016772398e+00 -4.016772398e+00 2.64 -3.969426584e+00 -3.969426584e+00 2.66 -3.917896363e+00 -3.917896363e+00 2.68 -3.862794585e+00 -3.862794585e+00 2.70 -3.804795452e+00 -3.804795452e+00 2.72 -3.744615687e+00 -3.744615687e+00 2.74 -3.682860045e+00 -3.682860045e+00 2.76 -3.619914739e+00 -3.619914739e+00 2.78 -3.556126782e+00 -3.556126782e+00 2.80 -3.491912197e+00 -3.491912197e+00 2.82 -3.427682353e+00 -3.427682353e+00 2.84 -3.363733291e+00 -3.363733291e+00 2.86 -3.300342030e+00 -3.300342030e+00 2.88 -3.237749279e+00 -3.237749279e+00 2.90 -3.176157875e+00 -3.176157875e+00 2.92 -3.115688192e+00 -3.115688192e+00 2.94 -3.056415838e+00 -3.056415838e+00 2.96 -2.998398482e+00 -2.998398482e+00 2.98 -2.941646910e+00 -2.941646910e+00 3.00 -2.886060881e+00 -2.886060881e+00 3.02 -2.831522606e+00 -2.831522606e+00 3.04 -2.777920370e+00 -2.777920370e+00 3.06 -2.725145564e+00 -2.725145564e+00 3.08 -2.673083053e+00 -2.673083053e+00 3.10 -2.621575768e+00 -2.621575768e+00 3.12 -2.570426520e+00 -2.570426520e+00 3.14 -2.519428904e+00 -2.519428904e+00 3.16 -2.468367940e+00 -2.468367940e+00 3.18 -2.417048213e+00 -2.417048213e+00 3.20 -2.365353372e+00 -2.365353372e+00 3.22 -2.313186458e+00 -2.313186458e+00 3.24 -2.260498882e+00 -2.260498882e+00 3.26 -2.207373905e+00 -2.207373905e+00 3.28 -2.154011772e+00 -2.154011772e+00 3.30 -2.100745100e+00 -2.100745100e+00 3.32 -2.047994630e+00 -2.047994630e+00 3.34 -1.996122391e+00 -1.996122391e+00 3.36 -1.945277717e+00 -1.945277717e+00 3.38 -1.895382942e+00 -1.895382942e+00 3.40 -1.846251424e+00 -1.846251424e+00 3.42 -1.797712422e+00 -1.797712422e+00 3.44 -1.749669865e+00 -1.749669865e+00 3.46 -1.702111542e+00 -1.702111542e+00 3.48 -1.655067443e+00 -1.655067443e+00 3.50 -1.608581616e+00 -1.608581616e+00 3.52 -1.562693369e+00 -1.562693369e+00 3.54 -1.517424280e+00 -1.517424280e+00 3.56 -1.472770925e+00 -1.472770925e+00 3.58 -1.428715518e+00 -1.428715518e+00 3.60 -1.385224874e+00 -1.385224874e+00 3.62 -1.342248499e+00 -1.342248499e+00 3.64 -1.299717920e+00 -1.299717920e+00 3.66 -1.257548910e+00 -1.257548910e+00 3.68 -1.215644978e+00 -1.215644978e+00 3.70 -1.173908646e+00 -1.173908646e+00 3.72 -1.132282185e+00 -1.132282185e+00 3.74 -1.090798072e+00 -1.090798072e+00 3.76 -1.049640655e+00 -1.049640655e+00 3.78 -1.009201988e+00 -1.009201988e+00 3.80 -9.700868607e-01 -9.700868607e-01 3.82 -9.329751122e-01 -9.329751122e-01 3.84 -8.984991477e-01 -8.984991477e-01 3.86 -8.670876987e-01 -8.670876987e-01 3.88 -8.388230371e-01 -8.388230371e-01 3.90 -8.134380533e-01 -8.134380533e-01 3.92 -7.904322819e-01 -7.904322819e-01 3.94 -7.692397348e-01 -7.692397348e-01 3.96 -7.493672624e-01 -7.493672624e-01 3.98 -7.304345796e-01 -7.304345796e-01 4.00 -7.121988530e-01 -7.121988530e-01 4.02 -6.945456146e-01 -6.945456146e-01 4.04 -6.774237947e-01 -6.774237947e-01 4.06 -6.607905638e-01 -6.607905638e-01 4.08 -6.446026052e-01 -6.446026052e-01 4.10 -6.288119816e-01 -6.288119816e-01 4.12 -6.133751757e-01 -6.133751757e-01 4.14 -5.982497576e-01 -5.982497576e-01 4.16 -5.833976883e-01 -5.833976883e-01 4.18 -5.688192207e-01 -5.688192207e-01 4.20 -5.545394604e-01 -5.545394604e-01 4.22 -5.405842493e-01 -5.405842493e-01 4.24 -5.269779753e-01 -5.269779753e-01 4.26 -5.137342719e-01 -5.137342719e-01 4.28 -5.008703072e-01 -5.008703072e-01 4.30 -4.884129952e-01 -4.884129952e-01 4.32 -4.763891826e-01 -4.763891826e-01 4.34 -4.648272940e-01 -4.648272940e-01 4.36 -4.537547519e-01 -4.537547519e-01 4.38 -4.431042034e-01 -4.431042034e-01 4.40 -4.328206261e-01 -4.328206261e-01 4.42 -4.229865647e-01 -4.229865647e-01 4.44 -4.136360662e-01 -4.136360662e-01 4.46 -4.047803367e-01 -4.047803367e-01 4.48 -3.964066735e-01 -3.964066735e-01 4.50 -3.884987059e-01 -3.884987059e-01 4.52 -3.810193162e-01 -3.810193162e-01 4.54 -3.739685942e-01 -3.739685942e-01 4.56 -3.673596839e-01 -3.673596839e-01 4.58 -3.608577369e-01 -3.608577369e-01 4.60 -3.541444205e-01 -3.541444205e-01 4.62 -3.470811398e-01 -3.470811398e-01 4.64 -3.396098965e-01 -3.396098965e-01 4.66 -3.317947900e-01 -3.317947900e-01 4.68 -3.238478668e-01 -3.238478668e-01 4.70 -3.161017815e-01 -3.161017815e-01 4.72 -3.089624649e-01 -3.089624649e-01 4.74 -3.025798075e-01 -3.025798075e-01 4.76 -2.968031817e-01 -2.968031817e-01 4.78 -2.914022344e-01 -2.914022344e-01 4.80 -2.861723769e-01 -2.861723769e-01 4.82 -2.809097781e-01 -2.809097781e-01 4.84 -2.754602949e-01 -2.754602949e-01 4.86 -2.697398466e-01 -2.697398466e-01 4.88 -2.637193444e-01 -2.637193444e-01 4.90 -2.573973780e-01 -2.573973780e-01 4.92 -2.507933102e-01 -2.507933102e-01 4.94 -2.439268932e-01 -2.439268932e-01 4.96 -2.368163641e-01 -2.368163641e-01 4.98 -2.294778102e-01 -2.294778102e-01 5.00 -2.219210972e-01 -2.219210972e-01 5.02 -2.141322587e-01 -2.141322587e-01 5.04 -2.061452586e-01 -2.061452586e-01 5.06 -1.979953325e-01 -1.979953325e-01 5.08 -1.897057558e-01 -1.897057558e-01 5.10 -1.812882999e-01 -1.812882999e-01 5.12 -1.727434293e-01 -1.727434293e-01 5.14 -1.640602820e-01 -1.640602820e-01 5.16 -1.552165612e-01 -1.552165612e-01 5.18 -1.461785535e-01 -1.461785535e-01 5.20 -1.369016655e-01 -1.369016655e-01 5.22 -1.273321648e-01 -1.273321648e-01 5.24 -1.174112043e-01 -1.174112043e-01 5.26 -1.070827638e-01 -1.070827638e-01 5.28 -9.630756942e-02 -9.630756942e-02 5.30 -8.508496274e-02 -8.508496274e-02 5.32 -7.348299559e-02 -7.348299559e-02 5.34 -6.167243592e-02 -6.167243592e-02 5.36 -4.995210247e-02 -4.995210247e-02 5.38 -3.874077337e-02 -3.874077337e-02 5.40 -2.852434728e-02 -2.852434728e-02 5.42 -1.975768864e-02 -1.975768864e-02 5.44 -1.274607503e-02 -1.274607503e-02 5.46 -7.565818155e-03 -7.565818155e-03 5.48 -4.062745335e-03 -4.062745335e-03 5.50 -1.921493629e-03 -1.921493629e-03 5.52 -7.637574344e-04 -7.637574344e-04 5.54 -2.328618515e-04 -2.328618515e-04 5.56 -4.414292496e-05 -4.414292496e-05 5.58 -2.642799911e-06 -2.642799911e-06 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00