# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr # implementation = 2011--Bonny-G--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 3.814481122e+03 3.814481122e+03 1.02 3.518819076e+03 3.518819076e+03 1.04 3.247764304e+03 3.247764304e+03 1.06 2.999264952e+03 2.999264952e+03 1.08 2.771118382e+03 2.771118382e+03 1.10 2.561184310e+03 2.561184310e+03 1.12 2.367726553e+03 2.367726553e+03 1.14 2.189304386e+03 2.189304386e+03 1.16 2.024660125e+03 2.024660125e+03 1.18 1.872632908e+03 1.872632908e+03 1.20 1.732104780e+03 1.732104780e+03 1.22 1.601912751e+03 1.601912751e+03 1.24 1.481098156e+03 1.481098156e+03 1.26 1.368850049e+03 1.368850049e+03 1.28 1.264457831e+03 1.264457831e+03 1.30 1.167303637e+03 1.167303637e+03 1.32 1.076844446e+03 1.076844446e+03 1.34 9.926791504e+02 9.926791504e+02 1.36 9.145638035e+02 9.145638035e+02 1.38 8.422021357e+02 8.422021357e+02 1.40 7.750309390e+02 7.750309390e+02 1.42 7.125153704e+02 7.125153704e+02 1.44 6.543044524e+02 6.543044524e+02 1.46 6.000833121e+02 6.000833121e+02 1.48 5.495398627e+02 5.495398627e+02 1.50 5.024176463e+02 5.024176463e+02 1.52 4.584903614e+02 4.584903614e+02 1.54 4.175379654e+02 4.175379654e+02 1.56 3.793434952e+02 3.793434952e+02 1.58 3.437234182e+02 3.437234182e+02 1.60 3.105205985e+02 3.105205985e+02 1.62 2.795618955e+02 2.795618955e+02 1.64 2.506809687e+02 2.506809687e+02 1.66 2.237599192e+02 2.237599192e+02 1.68 1.986876910e+02 1.986876910e+02 1.70 1.753177609e+02 1.753177609e+02 1.72 1.534917262e+02 1.534917262e+02 1.74 1.330705116e+02 1.330705116e+02 1.76 1.139444939e+02 1.139444939e+02 1.78 9.602763604e+01 9.602763604e+01 1.80 7.924864086e+01 7.924864086e+01 1.82 6.355023876e+01 6.355023876e+01 1.84 4.933834050e+01 4.933834050e+01 1.86 3.797737451e+01 3.797737451e+01 1.88 2.903262920e+01 2.903262920e+01 1.90 2.199644433e+01 2.199644433e+01 1.92 1.646792588e+01 1.646792588e+01 1.94 1.212791548e+01 1.212791548e+01 1.96 8.721677370e+00 8.721677370e+00 1.98 6.045533886e+00 6.045533886e+00 2.00 3.936620981e+00 3.936620981e+00 2.02 2.266601389e+00 2.266601389e+00 2.04 9.398072363e-01 9.398072363e-01 2.06 -1.171392776e-01 -1.171392776e-01 2.08 -9.615878774e-01 -9.615878774e-01 2.10 -1.638189061e+00 -1.638189061e+00 2.12 -2.181368806e+00 -2.181368806e+00 2.14 -2.617852580e+00 -2.617852580e+00 2.16 -2.967893556e+00 -2.967893556e+00 2.18 -3.247224522e+00 -3.247224522e+00 2.20 -3.469014520e+00 -3.469014520e+00 2.22 -3.643825466e+00 -3.643825466e+00 2.24 -3.779975694e+00 -3.779975694e+00 2.26 -3.884207945e+00 -3.884207945e+00 2.28 -3.962352784e+00 -3.962352784e+00 2.30 -4.020066779e+00 -4.020066779e+00 2.32 -4.062958457e+00 -4.062958457e+00 2.34 -4.096118459e+00 -4.096118459e+00 2.36 -4.123631373e+00 -4.123631373e+00 2.38 -4.147430837e+00 -4.147430837e+00 2.40 -4.167265552e+00 -4.167265552e+00 2.42 -4.182189513e+00 -4.182189513e+00 2.44 -4.191591831e+00 -4.191591831e+00 2.46 -4.195385692e+00 -4.195385692e+00 2.48 -4.193753148e+00 -4.193753148e+00 2.50 -4.186573605e+00 -4.186573605e+00 2.52 -4.173538875e+00 -4.173538875e+00 2.54 -4.154322765e+00 -4.154322765e+00 2.56 -4.128668949e+00 -4.128668949e+00 2.58 -4.096855849e+00 -4.096855849e+00 2.60 -4.059400576e+00 -4.059400576e+00 2.62 -4.016772396e+00 -4.016772396e+00 2.64 -3.969426584e+00 -3.969426584e+00 2.66 -3.917896361e+00 -3.917896361e+00 2.68 -3.862794587e+00 -3.862794587e+00 2.70 -3.804795451e+00 -3.804795451e+00 2.72 -3.744615688e+00 -3.744615688e+00 2.74 -3.682860046e+00 -3.682860046e+00 2.76 -3.619914741e+00 -3.619914741e+00 2.78 -3.556126785e+00 -3.556126785e+00 2.80 -3.491912196e+00 -3.491912196e+00 2.82 -3.427682348e+00 -3.427682348e+00 2.84 -3.363733292e+00 -3.363733292e+00 2.86 -3.300342030e+00 -3.300342030e+00 2.88 -3.237749282e+00 -3.237749282e+00 2.90 -3.176157873e+00 -3.176157873e+00 2.92 -3.115688191e+00 -3.115688191e+00 2.94 -3.056415840e+00 -3.056415840e+00 2.96 -2.998398480e+00 -2.998398480e+00 2.98 -2.941646909e+00 -2.941646909e+00 3.00 -2.886060879e+00 -2.886060879e+00 3.02 -2.831522606e+00 -2.831522606e+00 3.04 -2.777920371e+00 -2.777920371e+00 3.06 -2.725145565e+00 -2.725145565e+00 3.08 -2.673083053e+00 -2.673083053e+00 3.10 -2.621575767e+00 -2.621575767e+00 3.12 -2.570426520e+00 -2.570426520e+00 3.14 -2.519428903e+00 -2.519428903e+00 3.16 -2.468367944e+00 -2.468367944e+00 3.18 -2.417048212e+00 -2.417048212e+00 3.20 -2.365353371e+00 -2.365353371e+00 3.22 -2.313186456e+00 -2.313186456e+00 3.24 -2.260498882e+00 -2.260498882e+00 3.26 -2.207373906e+00 -2.207373906e+00 3.28 -2.154011771e+00 -2.154011771e+00 3.30 -2.100745099e+00 -2.100745099e+00 3.32 -2.047994628e+00 -2.047994628e+00 3.34 -1.996122390e+00 -1.996122390e+00 3.36 -1.945277716e+00 -1.945277716e+00 3.38 -1.895382942e+00 -1.895382942e+00 3.40 -1.846251423e+00 -1.846251423e+00 3.42 -1.797712420e+00 -1.797712420e+00 3.44 -1.749669862e+00 -1.749669862e+00 3.46 -1.702111540e+00 -1.702111540e+00 3.48 -1.655067443e+00 -1.655067443e+00 3.50 -1.608581614e+00 -1.608581614e+00 3.52 -1.562693368e+00 -1.562693368e+00 3.54 -1.517424276e+00 -1.517424276e+00 3.56 -1.472770923e+00 -1.472770923e+00 3.58 -1.428715515e+00 -1.428715515e+00 3.60 -1.385224871e+00 -1.385224871e+00 3.62 -1.342248496e+00 -1.342248496e+00 3.64 -1.299717916e+00 -1.299717916e+00 3.66 -1.257548906e+00 -1.257548906e+00 3.68 -1.215644971e+00 -1.215644971e+00 3.70 -1.173908631e+00 -1.173908631e+00 3.72 -1.132282171e+00 -1.132282171e+00 3.74 -1.090798053e+00 -1.090798053e+00 3.76 -1.049640647e+00 -1.049640647e+00 3.78 -1.009201945e+00 -1.009201945e+00 3.80 -9.700868410e-01 -9.700868410e-01 3.82 -9.329751237e-01 -9.329751237e-01 3.84 -8.984991517e-01 -8.984991517e-01 3.86 -8.670876769e-01 -8.670876769e-01 3.88 -8.388228973e-01 -8.388228973e-01 3.90 -8.134380175e-01 -8.134380175e-01 3.92 -7.904321181e-01 -7.904321181e-01 3.94 -7.692397903e-01 -7.692397903e-01 3.96 -7.493669475e-01 -7.493669475e-01 3.98 -7.304346108e-01 -7.304346108e-01 4.00 -7.121988239e-01 -7.121988239e-01 4.02 -6.945451047e-01 -6.945451047e-01 4.04 -6.774239242e-01 -6.774239242e-01 4.06 -6.607909149e-01 -6.607909149e-01 4.08 -6.446017905e-01 -6.446017905e-01 4.10 -6.288117345e-01 -6.288117345e-01 4.12 -6.133763132e-01 -6.133763132e-01 4.14 -5.982503185e-01 -5.982503185e-01 4.16 -5.833961935e-01 -5.833961935e-01 4.18 -5.688193738e-01 -5.688193738e-01 4.20 -5.545428392e-01 -5.545428392e-01 4.22 -5.405882733e-01 -5.405882733e-01 4.24 -5.269778168e-01 -5.269778168e-01 4.26 -5.137332195e-01 -5.137332195e-01 4.28 -5.008755194e-01 -5.008755194e-01 4.30 -4.884282431e-01 -4.884282431e-01 4.32 -4.764126751e-01 -4.764126751e-01 4.34 -4.648490565e-01 -4.648490565e-01 4.36 -4.537581987e-01 -4.537581987e-01 4.38 -4.431582906e-01 -4.431582906e-01 4.40 -4.330630053e-01 -4.330630053e-01 4.42 -4.234648006e-01 -4.234648006e-01 4.44 -4.143222982e-01 -4.143222982e-01 4.46 -4.055832103e-01 -4.055832103e-01 4.48 -3.971897605e-01 -3.971897605e-01 4.50 -3.890835431e-01 -3.890835431e-01 4.52 -3.811991638e-01 -3.811991638e-01 4.54 -3.734518826e-01 -3.734518826e-01 4.56 -3.657442497e-01 -3.657442497e-01 4.58 -3.580053456e-01 -3.580053456e-01 4.60 -3.501894018e-01 -3.501894018e-01 4.62 -3.422927642e-01 -3.422927642e-01 4.64 -3.342636790e-01 -3.342636790e-01 4.66 -3.261782040e-01 -3.261782040e-01 4.68 -3.184346361e-01 -3.184346361e-01 4.70 -3.114127275e-01 -3.114127275e-01 4.72 -3.053559511e-01 -3.053559511e-01 4.74 -3.003145798e-01 -3.003145798e-01 4.76 -2.962158759e-01 -2.962158759e-01 4.78 -2.928695823e-01 -2.928695823e-01 4.80 -2.899142827e-01 -2.899142827e-01 4.82 -2.870828973e-01 -2.870828973e-01 4.84 -2.841262821e-01 -2.841262821e-01 4.86 -2.809281017e-01 -2.809281017e-01 4.88 -2.774590940e-01 -2.774590940e-01 4.90 -2.737126667e-01 -2.737126667e-01 4.92 -2.697033921e-01 -2.697033921e-01 4.94 -2.654468197e-01 -2.654468197e-01 4.96 -2.609577025e-01 -2.609577025e-01 4.98 -2.562494937e-01 -2.562494937e-01 5.00 -2.513426023e-01 -2.513426023e-01 5.02 -2.463064505e-01 -2.463064505e-01 5.04 -2.410732617e-01 -2.410732617e-01 5.06 -2.355353022e-01 -2.355353022e-01 5.08 -2.296244055e-01 -2.296244055e-01 5.10 -2.233077591e-01 -2.233077591e-01 5.12 -2.165475048e-01 -2.165475048e-01 5.14 -2.092970326e-01 -2.092970326e-01 5.16 -2.014968763e-01 -2.014968763e-01 5.18 -1.930702001e-01 -1.930702001e-01 5.20 -1.839180638e-01 -1.839180638e-01 5.22 -1.739150590e-01 -1.739150590e-01 5.24 -1.628998481e-01 -1.628998481e-01 5.26 -1.506648517e-01 -1.506648517e-01 5.28 -1.371576711e-01 -1.371576711e-01 5.30 -1.224088468e-01 -1.224088468e-01 5.32 -1.065580967e-01 -1.065580967e-01 5.34 -8.992007981e-02 -8.992007981e-02 5.36 -7.303334878e-02 -7.303334878e-02 5.38 -5.664693611e-02 -5.664693611e-02 5.40 -4.161642990e-02 -4.161642990e-02 5.42 -2.871778580e-02 -2.871778580e-02 5.44 -1.844600942e-02 -1.844600942e-02 5.46 -1.090509173e-02 -1.090509173e-02 5.48 -5.837476554e-03 -5.837476554e-03 5.50 -2.755068663e-03 -2.755068663e-03 5.52 -1.093782114e-03 -1.093782114e-03 5.54 -3.332961027e-04 -3.332961027e-04 5.56 -6.316917256e-05 -6.316917256e-05 5.58 -3.781652781e-06 -3.781652781e-06 5.60 -2.132706276e-11 -2.127365862e-11 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