# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--LAMMPS--ipr1 # composition = CuFe2Ni # 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 5.159182524e+02 5.159182524e+02 1.02 4.764230858e+02 4.764230858e+02 1.04 4.404089894e+02 4.404089894e+02 1.06 4.075883783e+02 4.075883783e+02 1.08 3.776834197e+02 3.776834197e+02 1.10 3.503969324e+02 3.503969324e+02 1.12 3.254389717e+02 3.254389717e+02 1.14 3.025452106e+02 3.025452106e+02 1.16 2.814500919e+02 2.814500919e+02 1.18 2.619487172e+02 2.619487172e+02 1.20 2.438963791e+02 2.438963791e+02 1.22 2.271579585e+02 2.271579585e+02 1.24 2.115906239e+02 2.115906239e+02 1.26 1.970554105e+02 1.970554105e+02 1.28 1.834669780e+02 1.834669780e+02 1.30 1.707419219e+02 1.707419219e+02 1.32 1.588073094e+02 1.588073094e+02 1.34 1.476156660e+02 1.476156660e+02 1.36 1.371345578e+02 1.371345578e+02 1.38 1.273240799e+02 1.273240799e+02 1.40 1.181420367e+02 1.181420367e+02 1.42 1.095491831e+02 1.095491831e+02 1.44 1.015126410e+02 1.015126410e+02 1.46 9.400214570e+01 9.400214570e+01 1.48 8.698716836e+01 8.698716836e+01 1.50 8.043948752e+01 8.043948752e+01 1.52 7.433269128e+01 7.433269128e+01 1.54 6.864242435e+01 6.864242435e+01 1.56 6.334295182e+01 6.334295182e+01 1.58 5.840705102e+01 5.840705102e+01 1.60 5.380844277e+01 5.380844277e+01 1.62 4.952155040e+01 4.952155040e+01 1.64 4.551988623e+01 4.551988623e+01 1.66 4.177688568e+01 4.177688568e+01 1.68 3.826615804e+01 3.826615804e+01 1.70 3.497305837e+01 3.497305837e+01 1.72 3.188801485e+01 3.188801485e+01 1.74 2.894780467e+01 2.894780467e+01 1.76 2.605635034e+01 2.605635034e+01 1.78 2.332784962e+01 2.332784962e+01 1.80 2.076066166e+01 2.076066166e+01 1.82 1.835016937e+01 1.835016937e+01 1.84 1.609427686e+01 1.609427686e+01 1.86 1.399266821e+01 1.399266821e+01 1.88 1.204351998e+01 1.204351998e+01 1.90 1.024389894e+01 1.024389894e+01 1.92 8.590469606e+00 8.590469606e+00 1.94 7.077812497e+00 7.077812497e+00 1.96 5.699366358e+00 5.699366358e+00 1.98 4.448862449e+00 4.448862449e+00 2.00 3.319815879e+00 3.319815879e+00 2.02 2.304887653e+00 2.304887653e+00 2.04 1.396893591e+00 1.396893591e+00 2.06 5.898904013e-01 5.898904013e-01 2.08 -1.219174748e-01 -1.219174748e-01 2.10 -7.447626137e-01 -7.447626137e-01 2.12 -1.286171187e+00 -1.286171187e+00 2.14 -1.753647277e+00 -1.753647277e+00 2.16 -2.154785974e+00 -2.154785974e+00 2.18 -2.497309215e+00 -2.497309215e+00 2.20 -2.789343594e+00 -2.789343594e+00 2.22 -3.038407979e+00 -3.038407979e+00 2.24 -3.248845922e+00 -3.248845922e+00 2.26 -3.424240308e+00 -3.424240308e+00 2.28 -3.567920124e+00 -3.567920124e+00 2.30 -3.683277015e+00 -3.683277015e+00 2.32 -3.773844516e+00 -3.773844516e+00 2.34 -3.843420776e+00 -3.843420776e+00 2.36 -3.895648250e+00 -3.895648250e+00 2.38 -3.933175174e+00 -3.933175174e+00 2.40 -3.957623113e+00 -3.957623113e+00 2.42 -3.970590271e+00 -3.970590271e+00 2.44 -3.973617827e+00 -3.973617827e+00 2.46 -3.968163825e+00 -3.968163825e+00 2.48 -3.955645044e+00 -3.955645044e+00 2.50 -3.937473255e+00 -3.937473255e+00 2.52 -3.914842019e+00 -3.914842019e+00 2.54 -3.888128177e+00 -3.888128177e+00 2.56 -3.857509243e+00 -3.857509243e+00 2.58 -3.823137400e+00 -3.823137400e+00 2.60 -3.785061883e+00 -3.785061883e+00 2.62 -3.743199997e+00 -3.743199997e+00 2.64 -3.697555111e+00 -3.697555111e+00 2.66 -3.648493153e+00 -3.648493153e+00 2.68 -3.596775693e+00 -3.596775693e+00 2.70 -3.542615714e+00 -3.542615714e+00 2.72 -3.486214913e+00 -3.486214913e+00 2.74 -3.427777980e+00 -3.427777980e+00 2.76 -3.367496317e+00 -3.367496317e+00 2.78 -3.305602488e+00 -3.305602488e+00 2.80 -3.242393061e+00 -3.242393061e+00 2.82 -3.178196516e+00 -3.178196516e+00 2.84 -3.113366606e+00 -3.113366606e+00 2.86 -3.048272206e+00 -3.048272206e+00 2.88 -2.983222468e+00 -2.983222468e+00 2.90 -2.918337214e+00 -2.918337214e+00 2.92 -2.853709923e+00 -2.853709923e+00 2.94 -2.789412535e+00 -2.789412535e+00 2.96 -2.725256976e+00 -2.725256976e+00 2.98 -2.661211278e+00 -2.661211278e+00 3.00 -2.597305706e+00 -2.597305706e+00 3.02 -2.533552154e+00 -2.533552154e+00 3.04 -2.469920489e+00 -2.469920489e+00 3.06 -2.406361400e+00 -2.406361400e+00 3.08 -2.342813608e+00 -2.342813608e+00 3.10 -2.279232249e+00 -2.279232249e+00 3.12 -2.215633592e+00 -2.215633592e+00 3.14 -2.152033290e+00 -2.152033290e+00 3.16 -2.088604340e+00 -2.088604340e+00 3.18 -2.025522427e+00 -2.025522427e+00 3.20 -1.962839348e+00 -1.962839348e+00 3.22 -1.900623489e+00 -1.900623489e+00 3.24 -1.839024358e+00 -1.839024358e+00 3.26 -1.778235077e+00 -1.778235077e+00 3.28 -1.718460354e+00 -1.718460354e+00 3.30 -1.659913277e+00 -1.659913277e+00 3.32 -1.602811828e+00 -1.602811828e+00 3.34 -1.547339108e+00 -1.547339108e+00 3.36 -1.493544408e+00 -1.493544408e+00 3.38 -1.441446780e+00 -1.441446780e+00 3.40 -1.391064416e+00 -1.391064416e+00 3.42 -1.342415298e+00 -1.342415298e+00 3.44 -1.295517226e+00 -1.295517226e+00 3.46 -1.250386956e+00 -1.250386956e+00 3.48 -1.207039487e+00 -1.207039487e+00 3.50 -1.165487018e+00 -1.165487018e+00 3.52 -1.125728927e+00 -1.125728927e+00 3.54 -1.087722590e+00 -1.087722590e+00 3.56 -1.051411046e+00 -1.051411046e+00 3.58 -1.016735702e+00 -1.016735702e+00 3.60 -9.836514077e-01 -9.836514077e-01 3.62 -9.521125175e-01 -9.521125175e-01 3.64 -9.220661383e-01 -9.220661383e-01 3.66 -8.934528855e-01 -8.934528855e-01 3.68 -8.662095724e-01 -8.662095724e-01 3.70 -8.402696276e-01 -8.402696276e-01 3.72 -8.155628777e-01 -8.155628777e-01 3.74 -7.920144618e-01 -7.920144618e-01 3.76 -7.695447619e-01 -7.695447619e-01 3.78 -7.480699764e-01 -7.480699764e-01 3.80 -7.275022259e-01 -7.275022259e-01 3.82 -7.077542380e-01 -7.077542380e-01 3.84 -6.887653422e-01 -6.887653422e-01 3.86 -6.704826447e-01 -6.704826447e-01 3.88 -6.528575256e-01 -6.528575256e-01 3.90 -6.358356923e-01 -6.358356923e-01 3.92 -6.193431409e-01 -6.193431409e-01 3.94 -6.033654699e-01 -6.033654699e-01 3.96 -5.877798493e-01 -5.877798493e-01 3.98 -5.725312246e-01 -5.725312246e-01 4.00 -5.575883787e-01 -5.575883787e-01 4.02 -5.428298438e-01 -5.428298438e-01 4.04 -5.282603118e-01 -5.282603118e-01 4.06 -5.139009319e-01 -5.139009319e-01 4.08 -4.997563111e-01 -4.997563111e-01 4.10 -4.858298189e-01 -4.858298189e-01 4.12 -4.721173932e-01 -4.721173932e-01 4.14 -4.586086305e-01 -4.586086305e-01 4.16 -4.452539624e-01 -4.452539624e-01 4.18 -4.318968760e-01 -4.318968760e-01 4.20 -4.184985854e-01 -4.184985854e-01 4.22 -4.050421752e-01 -4.050421752e-01 4.24 -3.915501796e-01 -3.915501796e-01 4.26 -3.780543445e-01 -3.780543445e-01 4.28 -3.645870462e-01 -3.645870462e-01 4.30 -3.511813316e-01 -3.511813316e-01 4.32 -3.378676827e-01 -3.378676827e-01 4.34 -3.246714128e-01 -3.246714128e-01 4.36 -3.116237176e-01 -3.116237176e-01 4.38 -2.987576723e-01 -2.987576723e-01 4.40 -2.861062247e-01 -2.861062247e-01 4.42 -2.737010273e-01 -2.737010273e-01 4.44 -2.615724214e-01 -2.615724214e-01 4.46 -2.497502781e-01 -2.497502781e-01 4.48 -2.382612119e-01 -2.382612119e-01 4.50 -2.271338353e-01 -2.271338353e-01 4.52 -2.163879572e-01 -2.163879572e-01 4.54 -2.060252384e-01 -2.060252384e-01 4.56 -1.960340994e-01 -1.960340994e-01 4.58 -1.864144738e-01 -1.864144738e-01 4.60 -1.771649318e-01 -1.771649318e-01 4.62 -1.682786462e-01 -1.682786462e-01 4.64 -1.597852132e-01 -1.597852132e-01 4.66 -1.516315639e-01 -1.516315639e-01 4.68 -1.437461948e-01 -1.437461948e-01 4.70 -1.364085859e-01 -1.364085859e-01 4.72 -1.298085788e-01 -1.298085788e-01 4.74 -1.240731960e-01 -1.240731960e-01 4.76 -1.192905333e-01 -1.192905333e-01 4.78 -1.151329070e-01 -1.151329070e-01 4.80 -1.113812207e-01 -1.113812207e-01 4.82 -1.075562821e-01 -1.075562821e-01 4.84 -1.035046160e-01 -1.035046160e-01 4.86 -9.914946934e-02 -9.914946934e-02 4.88 -9.443146457e-02 -9.443146457e-02 4.90 -8.930784807e-02 -8.930784807e-02 4.92 -8.372855205e-02 -8.372855205e-02 4.94 -7.772823008e-02 -7.772823008e-02 4.96 -7.146781293e-02 -7.146781293e-02 4.98 -6.509599928e-02 -6.509599928e-02 5.00 -5.874731320e-02 -5.874731320e-02 5.02 -5.254415949e-02 -5.254415949e-02 5.04 -4.659987637e-02 -4.659987637e-02 5.06 -4.100902668e-02 -4.100902668e-02 5.08 -3.584718330e-02 -3.584718330e-02 5.10 -3.116979457e-02 -3.116979457e-02 5.12 -2.701126031e-02 -2.701126031e-02 5.14 -2.338509140e-02 -2.338509140e-02 5.16 -2.028529984e-02 -2.028529984e-02 5.18 -1.768891900e-02 -1.768891900e-02 5.20 -1.555934948e-02 -1.555934948e-02 5.22 -1.385011845e-02 -1.385011845e-02 5.24 -1.250864077e-02 -1.250864077e-02 5.26 -1.147965424e-02 -1.147965424e-02 5.28 -1.070920997e-02 -1.070920997e-02 5.30 -1.014894985e-02 -1.014894985e-02 5.32 -9.755157243e-03 -9.755157243e-03 5.34 -9.489225744e-03 -9.489225744e-03 5.36 -9.318162523e-03 -9.318162523e-03 5.38 -9.214676508e-03 -9.214676508e-03 5.40 -9.156955101e-03 -9.156955101e-03 5.42 -9.128228281e-03 -9.128228281e-03 5.44 -9.116207236e-03 -9.116207236e-03 5.46 -9.112468582e-03 -9.112468582e-03 5.48 -9.111837401e-03 -9.111837401e-03 5.50 -9.111804998e-03 -9.111804998e-03 5.52 -9.111804138e-03 -9.111804138e-03 5.54 -9.111804138e-03 -9.111804138e-03 5.56 -9.111804138e-03 -9.111804138e-03 5.58 -9.111804138e-03 -9.111804138e-03 5.60 -9.111804138e-03 -9.111804138e-03 5.62 -9.111804138e-03 -9.111804138e-03 5.64 -9.111804138e-03 -9.111804138e-03 5.66 -9.111804138e-03 -9.111804138e-03 5.68 -9.111804138e-03 -9.111804138e-03 5.70 -9.111804138e-03 -9.111804138e-03 5.72 -9.111804138e-03 -9.111804138e-03 5.74 -9.111804138e-03 -9.111804138e-03 5.76 -9.111804138e-03 -9.111804138e-03 5.78 -9.111804138e-03 -9.111804138e-03 5.80 -9.111804138e-03 -9.111804138e-03 5.82 -9.111804138e-03 -9.111804138e-03 5.84 -9.111804138e-03 -9.111804138e-03 5.86 -9.111804138e-03 -9.111804138e-03 5.88 -9.111804138e-03 -9.111804138e-03 5.90 -9.111804138e-03 -9.111804138e-03 5.92 -9.111804138e-03 -9.111804138e-03 5.94 -9.111804138e-03 -9.111804138e-03 5.96 -9.111804138e-03 -9.111804138e-03 5.98 -9.111804138e-03 -9.111804138e-03 6.00 -9.111804138e-03 -9.111804138e-03