# 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 = AuMg2Ni # 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 3.167401200e+02 3.167401200e+02 1.30 2.929681252e+02 2.929681252e+02 1.32 2.710045447e+02 2.710045447e+02 1.34 2.507015566e+02 2.507015566e+02 1.36 2.319247587e+02 2.319247587e+02 1.38 2.145529497e+02 2.145529497e+02 1.40 1.984764860e+02 1.984764860e+02 1.42 1.835949550e+02 1.835949550e+02 1.44 1.698153519e+02 1.698153519e+02 1.46 1.570511453e+02 1.570511453e+02 1.48 1.452221093e+02 1.452221093e+02 1.50 1.342545848e+02 1.342545848e+02 1.52 1.240816698e+02 1.240816698e+02 1.54 1.146429150e+02 1.146429150e+02 1.56 1.058834943e+02 1.058834943e+02 1.58 9.775314402e+01 9.775314402e+01 1.60 9.020599923e+01 9.020599923e+01 1.62 8.321013833e+01 8.321013833e+01 1.64 7.672815959e+01 7.672815959e+01 1.66 7.072121039e+01 7.072121039e+01 1.68 6.515357490e+01 6.515357490e+01 1.70 5.999288341e+01 5.999288341e+01 1.72 5.520963586e+01 5.520963586e+01 1.74 5.077689769e+01 5.077689769e+01 1.76 4.666985113e+01 4.666985113e+01 1.78 4.286534159e+01 4.286534159e+01 1.80 3.934159044e+01 3.934159044e+01 1.82 3.607813649e+01 3.607813649e+01 1.84 3.305590627e+01 3.305590627e+01 1.86 3.025726305e+01 3.025726305e+01 1.88 2.766593855e+01 2.766593855e+01 1.90 2.526687607e+01 2.526687607e+01 1.92 2.304605908e+01 2.304605908e+01 1.94 2.099038474e+01 2.099038474e+01 1.96 1.908761162e+01 1.908761162e+01 1.98 1.732636362e+01 1.732636362e+01 2.00 1.569615104e+01 1.569615104e+01 2.02 1.418736806e+01 1.418736806e+01 2.04 1.279125005e+01 1.279125005e+01 2.06 1.149979429e+01 1.149979429e+01 2.08 1.030566188e+01 1.030566188e+01 2.10 9.202085241e+00 9.202085241e+00 2.12 8.182791540e+00 8.182791540e+00 2.14 7.241947596e+00 7.241947596e+00 2.16 6.374120009e+00 6.374120009e+00 2.18 5.574240949e+00 5.574240949e+00 2.20 4.837577611e+00 4.837577611e+00 2.22 4.159699876e+00 4.159699876e+00 2.24 3.536451921e+00 3.536451921e+00 2.26 2.963928096e+00 2.963928096e+00 2.28 2.438450948e+00 2.438450948e+00 2.30 1.956556624e+00 1.956556624e+00 2.32 1.514979163e+00 1.514979163e+00 2.34 1.110647801e+00 1.110647801e+00 2.36 7.406917574e-01 7.406917574e-01 2.38 4.024536971e-01 4.024536971e-01 2.40 9.350043048e-02 9.350043048e-02 2.42 -1.883804223e-01 -1.883804223e-01 2.44 -4.451949688e-01 -4.451949688e-01 2.46 -6.787749047e-01 -6.787749047e-01 2.48 -8.908094470e-01 -8.908094470e-01 2.50 -1.082870970e+00 -1.082870970e+00 2.52 -1.256462260e+00 -1.256462260e+00 2.54 -1.413026462e+00 -1.413026462e+00 2.56 -1.553783606e+00 -1.553783606e+00 2.58 -1.679790005e+00 -1.679790005e+00 2.60 -1.791988132e+00 -1.791988132e+00 2.62 -1.891299879e+00 -1.891299879e+00 2.64 -1.978617774e+00 -1.978617774e+00 2.66 -2.054793145e+00 -2.054793145e+00 2.68 -2.120631077e+00 -2.120631077e+00 2.70 -2.176886168e+00 -2.176886168e+00 2.72 -2.224274813e+00 -2.224274813e+00 2.74 -2.263482580e+00 -2.263482580e+00 2.76 -2.295165972e+00 -2.295165972e+00 2.78 -2.319949455e+00 -2.319949455e+00 2.80 -2.338420518e+00 -2.338420518e+00 2.82 -2.351121907e+00 -2.351121907e+00 2.84 -2.358549163e+00 -2.358549163e+00 2.86 -2.361150676e+00 -2.361150676e+00 2.88 -2.359331759e+00 -2.359331759e+00 2.90 -2.353461078e+00 -2.353461078e+00 2.92 -2.343877918e+00 -2.343877918e+00 2.94 -2.330899134e+00 -2.330899134e+00 2.96 -2.314825137e+00 -2.314825137e+00 2.98 -2.295944644e+00 -2.295944644e+00 3.00 -2.274538000e+00 -2.274538000e+00 3.02 -2.250878902e+00 -2.250878902e+00 3.04 -2.225234103e+00 -2.225234103e+00 3.06 -2.197862732e+00 -2.197862732e+00 3.08 -2.169011354e+00 -2.169011354e+00 3.10 -2.138911384e+00 -2.138911384e+00 3.12 -2.107774785e+00 -2.107774785e+00 3.14 -2.075793298e+00 -2.075793298e+00 3.16 -2.043160048e+00 -2.043160048e+00 3.18 -2.010029102e+00 -2.010029102e+00 3.20 -1.976492281e+00 -1.976492281e+00 3.22 -1.942634365e+00 -1.942634365e+00 3.24 -1.908535283e+00 -1.908535283e+00 3.26 -1.874271921e+00 -1.874271921e+00 3.28 -1.839919195e+00 -1.839919195e+00 3.30 -1.805550100e+00 -1.805550100e+00 3.32 -1.771229007e+00 -1.771229007e+00 3.34 -1.736971819e+00 -1.736971819e+00 3.36 -1.702776110e+00 -1.702776110e+00 3.38 -1.668645771e+00 -1.668645771e+00 3.40 -1.634588105e+00 -1.634588105e+00 3.42 -1.600612406e+00 -1.600612406e+00 3.44 -1.566728674e+00 -1.566728674e+00 3.46 -1.532947760e+00 -1.532947760e+00 3.48 -1.499281350e+00 -1.499281350e+00 3.50 -1.465742085e+00 -1.465742085e+00 3.52 -1.432343598e+00 -1.432343598e+00 3.54 -1.399100454e+00 -1.399100454e+00 3.56 -1.366027996e+00 -1.366027996e+00 3.58 -1.333142137e+00 -1.333142137e+00 3.60 -1.300459147e+00 -1.300459147e+00 3.62 -1.267995462e+00 -1.267995462e+00 3.64 -1.235767555e+00 -1.235767555e+00 3.66 -1.203791909e+00 -1.203791909e+00 3.68 -1.172085125e+00 -1.172085125e+00 3.70 -1.140664193e+00 -1.140664193e+00 3.72 -1.109546955e+00 -1.109546955e+00 3.74 -1.078752719e+00 -1.078752719e+00 3.76 -1.048302990e+00 -1.048302990e+00 3.78 -1.018222176e+00 -1.018222176e+00 3.80 -9.885381461e-01 -9.885381461e-01 3.82 -9.592824179e-01 -9.592824179e-01 3.84 -9.304898200e-01 -9.304898200e-01 3.86 -9.021975014e-01 -9.021975014e-01 3.88 -8.744432855e-01 -8.744432855e-01 3.90 -8.472635092e-01 -8.472635092e-01 3.92 -8.206904414e-01 -8.206904414e-01 3.94 -7.947507756e-01 -7.947507756e-01 3.96 -7.694626159e-01 -7.694626159e-01 3.98 -7.448352775e-01 -7.448352775e-01 4.00 -7.208688464e-01 -7.208688464e-01 4.02 -6.975547619e-01 -6.975547619e-01 4.04 -6.748770142e-01 -6.748770142e-01 4.06 -6.528137201e-01 -6.528137201e-01 4.08 -6.313388385e-01 -6.313388385e-01 4.10 -6.104232674e-01 -6.104232674e-01 4.12 -5.900387476e-01 -5.900387476e-01 4.14 -5.701553248e-01 -5.701553248e-01 4.16 -5.507450677e-01 -5.507450677e-01 4.18 -5.317821530e-01 -5.317821530e-01 4.20 -5.132434765e-01 -5.132434765e-01 4.22 -4.951090981e-01 -4.951090981e-01 4.24 -4.773625486e-01 -4.773625486e-01 4.26 -4.599910119e-01 -4.599910119e-01 4.28 -4.429854003e-01 -4.429854003e-01 4.30 -4.263403342e-01 -4.263403342e-01 4.32 -4.100540431e-01 -4.100540431e-01 4.34 -3.941282033e-01 -3.941282033e-01 4.36 -3.785677236e-01 -3.785677236e-01 4.38 -3.633804798e-01 -3.633804798e-01 4.40 -3.485769809e-01 -3.485769809e-01 4.42 -3.341699327e-01 -3.341699327e-01 4.44 -3.201736607e-01 -3.201736607e-01 4.46 -3.066033533e-01 -3.066033533e-01 4.48 -2.934741205e-01 -2.934741205e-01 4.50 -2.807998999e-01 -2.807998999e-01 4.52 -2.685922887e-01 -2.685922887e-01 4.54 -2.568594181e-01 -2.568594181e-01 4.56 -2.456050018e-01 -2.456050018e-01 4.58 -2.348276762e-01 -2.348276762e-01 4.60 -2.245207128e-01 -2.245207128e-01 4.62 -2.146721282e-01 -2.146721282e-01 4.64 -2.052651644e-01 -2.052651644e-01 4.66 -1.962790653e-01 -1.962790653e-01 4.68 -1.876900531e-01 -1.876900531e-01 4.70 -1.794724012e-01 -1.794724012e-01 4.72 -1.715995111e-01 -1.715995111e-01 4.74 -1.640449237e-01 -1.640449237e-01 4.76 -1.567832155e-01 -1.567832155e-01 4.78 -1.497907547e-01 -1.497907547e-01 4.80 -1.430459124e-01 -1.430459124e-01 4.82 -1.365311599e-01 -1.365311599e-01 4.84 -1.302307915e-01 -1.302307915e-01 4.86 -1.241328948e-01 -1.241328948e-01 4.88 -1.182288913e-01 -1.182288913e-01 4.90 -1.125134154e-01 -1.125134154e-01 4.92 -1.069840564e-01 -1.069840564e-01 4.94 -1.016409699e-01 -1.016409699e-01 4.96 -9.648637348e-02 -9.648637348e-02 4.98 -9.152395052e-02 -9.152395052e-02 5.00 -8.675819599e-02 -8.675819599e-02 5.02 -8.219374602e-02 -8.219374602e-02 5.04 -7.783473945e-02 -7.783473945e-02 5.06 -7.368425869e-02 -7.368425869e-02 5.08 -6.974386246e-02 -6.974386246e-02 5.10 -6.601329031e-02 -6.601329031e-02 5.12 -6.249031088e-02 -6.249031088e-02 5.14 -5.917071715e-02 -5.917071715e-02 5.16 -5.604845377e-02 -5.604845377e-02 5.18 -5.311584977e-02 -5.311584977e-02 5.20 -5.036357479e-02 -5.036357479e-02 5.22 -4.778098511e-02 -4.778098511e-02 5.24 -4.535802881e-02 -4.535802881e-02 5.26 -4.308426768e-02 -4.308426768e-02 5.28 -4.094915630e-02 -4.094915630e-02 5.30 -3.894234901e-02 -3.894234901e-02 5.32 -3.705394538e-02 -3.705394538e-02 5.34 -3.527467420e-02 -3.527467420e-02 5.36 -3.359601880e-02 -3.359601880e-02 5.38 -3.201028828e-02 -3.201028828e-02 5.40 -3.051064050e-02 -3.051064050e-02 5.42 -2.909106301e-02 -2.909106301e-02 5.44 -2.774631877e-02 -2.774631877e-02 5.46 -2.647186393e-02 -2.647186393e-02 5.48 -2.526374604e-02 -2.526374604e-02 5.50 -2.411849121e-02 -2.411849121e-02 5.52 -2.303298916e-02 -2.303298916e-02 5.54 -2.200438445e-02 -2.200438445e-02 5.56 -2.102998122e-02 -2.102998122e-02 5.58 -2.010716636e-02 -2.010716636e-02 5.60 -1.923335425e-02 -1.923335425e-02 5.62 -1.840595317e-02 -1.840595317e-02 5.64 -1.762235161e-02 -1.762235161e-02 5.66 -1.687992090e-02 -1.687992090e-02 5.68 -1.617602969e-02 -1.617602969e-02 5.70 -1.550806572e-02 -1.550806572e-02 5.72 -1.487346049e-02 -1.487346049e-02 5.74 -1.426971317e-02 -1.426971317e-02 5.76 -1.369438135e-02 -1.369438135e-02 5.78 -1.314514834e-02 -1.314514834e-02 5.80 -1.261983781e-02 -1.261983781e-02 5.82 -1.211639896e-02 -1.211639896e-02 5.84 -1.163291005e-02 -1.163291005e-02 5.86 -1.116757864e-02 -1.116757864e-02 5.88 -1.071873925e-02 -1.071873925e-02 5.90 -1.028484965e-02 -1.028484965e-02 5.92 -9.864486459e-03 -9.864486459e-03 5.94 -9.456340815e-03 -9.456340815e-03 5.96 -9.059214890e-03 -9.059214890e-03 5.98 -8.672019539e-03 -8.672019539e-03 6.00 -8.293773538e-03 -8.293773538e-03