# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--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 2024-01-04 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 5.299444465e+02 5.299444465e+02 1.00 4.890029043e+02 4.890029043e+02 1.02 4.517389489e+02 4.517389489e+02 1.04 4.177882837e+02 4.177882837e+02 1.06 3.868783259e+02 3.868783259e+02 1.08 3.587438905e+02 3.587438905e+02 1.10 3.331012385e+02 3.331012385e+02 1.12 3.096730794e+02 3.096730794e+02 1.14 2.882039608e+02 2.882039608e+02 1.16 2.684363452e+02 2.684363452e+02 1.18 2.501736155e+02 2.501736155e+02 1.20 2.332794353e+02 2.332794353e+02 1.22 2.176253985e+02 2.176253985e+02 1.24 2.030735706e+02 2.030735706e+02 1.26 1.894887286e+02 1.894887286e+02 1.28 1.767895003e+02 1.767895003e+02 1.30 1.648969520e+02 1.648969520e+02 1.32 1.537416603e+02 1.537416603e+02 1.34 1.432792944e+02 1.432792944e+02 1.36 1.334804090e+02 1.334804090e+02 1.38 1.243080396e+02 1.243080396e+02 1.40 1.157217285e+02 1.157217285e+02 1.42 1.076439089e+02 1.076439089e+02 1.44 1.000334981e+02 1.000334981e+02 1.46 9.287336009e+01 9.287336009e+01 1.48 8.614418256e+01 8.614418256e+01 1.50 7.982711767e+01 7.982711767e+01 1.52 7.390344207e+01 7.390344207e+01 1.54 6.835556176e+01 6.835556176e+01 1.56 6.316374539e+01 6.316374539e+01 1.58 5.830604601e+01 5.830604601e+01 1.60 5.376079515e+01 5.376079515e+01 1.62 4.950648018e+01 4.950648018e+01 1.64 4.552004097e+01 4.552004097e+01 1.66 4.177867071e+01 4.177867071e+01 1.68 3.826709355e+01 3.826709355e+01 1.70 3.497342040e+01 3.497342040e+01 1.72 3.188807224e+01 3.188807224e+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 1.399266822e+01 1.399266822e+01 1.88 1.204351998e+01 1.204351998e+01 1.90 1.024389895e+01 1.024389895e+01 1.92 8.590469607e+00 8.590469607e+00 1.94 7.077812489e+00 7.077812489e+00 1.96 5.699366364e+00 5.699366364e+00 1.98 4.448862451e+00 4.448862451e+00 2.00 3.319815879e+00 3.319815879e+00 2.02 2.304887652e+00 2.304887652e+00 2.04 1.396893594e+00 1.396893594e+00 2.06 5.898904025e-01 5.898904025e-01 2.08 -1.219174746e-01 -1.219174746e-01 2.10 -7.447626150e-01 -7.447626150e-01 2.12 -1.286171185e+00 -1.286171185e+00 2.14 -1.753647275e+00 -1.753647275e+00 2.16 -2.154785974e+00 -2.154785974e+00 2.18 -2.497309215e+00 -2.497309215e+00 2.20 -2.789343596e+00 -2.789343596e+00 2.22 -3.038407979e+00 -3.038407979e+00 2.24 -3.248845921e+00 -3.248845921e+00 2.26 -3.424240308e+00 -3.424240308e+00 2.28 -3.567920124e+00 -3.567920124e+00 2.30 -3.683277016e+00 -3.683277016e+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 -3.973617826e+00 -3.973617826e+00 2.46 -3.968163825e+00 -3.968163825e+00 2.48 -3.955645044e+00 -3.955645044e+00 2.50 -3.937473257e+00 -3.937473257e+00 2.52 -3.914842019e+00 -3.914842019e+00 2.54 -3.888128177e+00 -3.888128177e+00 2.56 -3.857509244e+00 -3.857509244e+00 2.58 -3.823137398e+00 -3.823137398e+00 2.60 -3.785061883e+00 -3.785061883e+00 2.62 -3.743199994e+00 -3.743199994e+00 2.64 -3.697555120e+00 -3.697555120e+00 2.66 -3.648493153e+00 -3.648493153e+00 2.68 -3.596775694e+00 -3.596775694e+00 2.70 -3.542615715e+00 -3.542615715e+00 2.72 -3.486214913e+00 -3.486214913e+00 2.74 -3.427777981e+00 -3.427777981e+00 2.76 -3.367496317e+00 -3.367496317e+00 2.78 -3.305602487e+00 -3.305602487e+00 2.80 -3.242393062e+00 -3.242393062e+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 -2.983222469e+00 -2.983222469e+00 2.90 -2.918337215e+00 -2.918337215e+00 2.92 -2.853709922e+00 -2.853709922e+00 2.94 -2.789412534e+00 -2.789412534e+00 2.96 -2.725256977e+00 -2.725256977e+00 2.98 -2.661211282e+00 -2.661211282e+00 3.00 -2.597305705e+00 -2.597305705e+00 3.02 -2.533552150e+00 -2.533552150e+00 3.04 -2.469920488e+00 -2.469920488e+00 3.06 -2.406361402e+00 -2.406361402e+00 3.08 -2.342813613e+00 -2.342813613e+00 3.10 -2.279232249e+00 -2.279232249e+00 3.12 -2.215633587e+00 -2.215633587e+00 3.14 -2.152033283e+00 -2.152033283e+00 3.16 -2.088604340e+00 -2.088604340e+00 3.18 -2.025522428e+00 -2.025522428e+00 3.20 -1.962839352e+00 -1.962839352e+00 3.22 -1.900623490e+00 -1.900623490e+00 3.24 -1.839024357e+00 -1.839024357e+00 3.26 -1.778235074e+00 -1.778235074e+00 3.28 -1.718460352e+00 -1.718460352e+00 3.30 -1.659913275e+00 -1.659913275e+00 3.32 -1.602811833e+00 -1.602811833e+00 3.34 -1.547339114e+00 -1.547339114e+00 3.36 -1.493544408e+00 -1.493544408e+00 3.38 -1.441446791e+00 -1.441446791e+00 3.40 -1.391064417e+00 -1.391064417e+00 3.42 -1.342415298e+00 -1.342415298e+00 3.44 -1.295517224e+00 -1.295517224e+00 3.46 -1.250386956e+00 -1.250386956e+00 3.48 -1.207039465e+00 -1.207039465e+00 3.50 -1.165487001e+00 -1.165487001e+00 3.52 -1.125728920e+00 -1.125728920e+00 3.54 -1.087722591e+00 -1.087722591e+00 3.56 -1.051411066e+00 -1.051411066e+00 3.58 -1.016735749e+00 -1.016735749e+00 3.60 -9.836514644e-01 -9.836514644e-01 3.62 -9.521125309e-01 -9.521125309e-01 3.64 -9.220662154e-01 -9.220662154e-01 3.66 -8.934530679e-01 -8.934530679e-01 3.68 -8.662096140e-01 -8.662096140e-01 3.70 -8.402696953e-01 -8.402696953e-01 3.72 -8.155629719e-01 -8.155629719e-01 3.74 -7.920144794e-01 -7.920144794e-01 3.76 -7.695447467e-01 -7.695447467e-01 3.78 -7.480699263e-01 -7.480699263e-01 3.80 -7.275019908e-01 -7.275019908e-01 3.82 -7.077532713e-01 -7.077532713e-01 3.84 -6.887633578e-01 -6.887633578e-01 3.86 -6.704819927e-01 -6.704819927e-01 3.88 -6.528559219e-01 -6.528559219e-01 3.90 -6.358282755e-01 -6.358282755e-01 3.92 -6.193423352e-01 -6.193423352e-01 3.94 -6.033478142e-01 -6.033478142e-01 3.96 -5.877679234e-01 -5.877679234e-01 3.98 -5.725276734e-01 -5.725276734e-01 4.00 -5.575640496e-01 -5.575640496e-01 4.02 -5.428104573e-01 -5.428104573e-01 4.04 -5.282514837e-01 -5.282514837e-01 4.06 -5.138963485e-01 -5.138963485e-01 4.08 -4.997552928e-01 -4.997552928e-01 4.10 -4.858308743e-01 -4.858308743e-01 4.12 -4.721189615e-01 -4.721189615e-01 4.14 -4.586099758e-01 -4.586099758e-01 4.16 -4.452544095e-01 -4.452544095e-01 4.18 -4.318970369e-01 -4.318970369e-01 4.20 -4.184964320e-01 -4.184964320e-01 4.22 -4.050294190e-01 -4.050294190e-01 4.24 -3.915202614e-01 -3.915202614e-01 4.26 -3.780052631e-01 -3.780052631e-01 4.28 -3.645177093e-01 -3.645177093e-01 4.30 -3.510945801e-01 -3.510945801e-01 4.32 -3.377668799e-01 -3.377668799e-01 4.34 -3.245642482e-01 -3.245642482e-01 4.36 -3.115209119e-01 -3.115209119e-01 4.38 -2.986613657e-01 -2.986613657e-01 4.40 -2.860189838e-01 -2.860189838e-01 4.42 -2.736309543e-01 -2.736309543e-01 4.44 -2.615100513e-01 -2.615100513e-01 4.46 -2.496898015e-01 -2.496898015e-01 4.48 -2.382149781e-01 -2.382149781e-01 4.50 -2.270688423e-01 -2.270688423e-01 4.52 -2.160971724e-01 -2.160971724e-01 4.54 -2.055208638e-01 -2.055208638e-01 4.56 -1.955362572e-01 -1.955362572e-01 4.58 -1.862777407e-01 -1.862777407e-01 4.60 -1.779430792e-01 -1.779430792e-01 4.62 -1.703917011e-01 -1.703917011e-01 4.64 -1.630395595e-01 -1.630395595e-01 4.66 -1.555322361e-01 -1.555322361e-01 4.68 -1.477133835e-01 -1.477133835e-01 4.70 -1.395829175e-01 -1.395829175e-01 4.72 -1.312602207e-01 -1.312602207e-01 4.74 -1.229409720e-01 -1.229409720e-01 4.76 -1.148664883e-01 -1.148664883e-01 4.78 -1.074540390e-01 -1.074540390e-01 4.80 -1.008782349e-01 -1.008782349e-01 4.82 -9.445957625e-02 -9.445957625e-02 4.84 -8.811827459e-02 -8.811827459e-02 4.86 -8.188500936e-02 -8.188500936e-02 4.88 -7.578637246e-02 -7.578637246e-02 4.90 -6.984612919e-02 -6.984612919e-02 4.92 -6.408629954e-02 -6.408629954e-02 4.94 -5.852802546e-02 -5.852802546e-02 4.96 -5.319217677e-02 -5.319217677e-02 4.98 -4.809964187e-02 -4.809964187e-02 5.00 -4.327125309e-02 -4.327125309e-02 5.02 -3.872929378e-02 -3.872929378e-02 5.04 -3.450059244e-02 -3.450059244e-02 5.06 -3.060721429e-02 -3.060721429e-02 5.08 -2.706670171e-02 -2.706670171e-02 5.10 -2.389111973e-02 -2.389111973e-02 5.12 -2.108575627e-02 -2.108575627e-02 5.14 -1.864819496e-02 -1.864819496e-02 5.16 -1.656792530e-02 -1.656792530e-02 5.18 -1.482657601e-02 -1.482657601e-02 5.20 -1.339875983e-02 -1.339875983e-02 5.22 -1.225342575e-02 -1.225342575e-02 5.24 -1.135554652e-02 -1.135554652e-02 5.26 -1.066793991e-02 -1.066793991e-02 5.28 -1.015412036e-02 -1.015412036e-02 5.30 -9.781851982e-03 -9.781851982e-03 5.32 -9.521795722e-03 -9.521795722e-03 5.34 -9.347802571e-03 -9.347802571e-03 5.36 -9.237394679e-03 -9.237394679e-03 5.38 -9.171930444e-03 -9.171930444e-03 5.40 -9.136520216e-03 -9.136520216e-03 5.42 -9.119765688e-03 -9.119765688e-03 5.44 -9.113391401e-03 -9.113391401e-03 5.46 -9.111825390e-03 -9.111825390e-03 5.48 -9.111771866e-03 -9.111771866e-03 5.50 -9.111804741e-03 -9.111804741e-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