# 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 = Al2CuMg # 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 1.326984886e+02 1.326984886e+02 1.30 1.230852092e+02 1.230852092e+02 1.32 1.141771124e+02 1.141771124e+02 1.34 1.059185296e+02 1.059185296e+02 1.36 9.825860505e+01 9.825860505e+01 1.38 9.115216922e+01 9.115216922e+01 1.40 8.455896231e+01 8.455896231e+01 1.42 7.844167343e+01 7.844167343e+01 1.44 7.276390029e+01 7.276390029e+01 1.46 6.748920609e+01 6.748920609e+01 1.48 6.258212031e+01 6.258212031e+01 1.50 5.801055071e+01 5.801055071e+01 1.52 5.374763450e+01 5.374763450e+01 1.54 4.977156982e+01 4.977156982e+01 1.56 4.606388259e+01 4.606388259e+01 1.58 4.260797676e+01 4.260797676e+01 1.60 3.939110506e+01 3.939110506e+01 1.62 3.639823962e+01 3.639823962e+01 1.64 3.361369642e+01 3.361369642e+01 1.66 3.102199946e+01 3.102199946e+01 1.68 2.860812756e+01 2.860812756e+01 1.70 2.635807642e+01 2.635807642e+01 1.72 2.425938105e+01 2.425938105e+01 1.74 2.230122757e+01 2.230122757e+01 1.76 2.047415843e+01 2.047415843e+01 1.78 1.876967402e+01 1.876967402e+01 1.80 1.717997188e+01 1.717997188e+01 1.82 1.569785387e+01 1.569785387e+01 1.84 1.431669901e+01 1.431669901e+01 1.86 1.303041355e+01 1.303041355e+01 1.88 1.183331750e+01 1.183331750e+01 1.90 1.071998399e+01 1.071998399e+01 1.92 9.685069152e+00 9.685069152e+00 1.94 8.723187002e+00 8.723187002e+00 1.96 7.828886139e+00 7.828886139e+00 1.98 6.996758250e+00 6.996758250e+00 2.00 6.221655459e+00 6.221655459e+00 2.02 5.498936025e+00 5.498936025e+00 2.04 4.824632598e+00 4.824632598e+00 2.06 4.195468729e+00 4.195468729e+00 2.08 3.608729988e+00 3.608729988e+00 2.10 3.062066110e+00 3.062066110e+00 2.12 2.553307878e+00 2.553307878e+00 2.14 2.080347648e+00 2.080347648e+00 2.16 1.641089449e+00 1.641089449e+00 2.18 1.233449798e+00 1.233449798e+00 2.20 8.553878475e-01 8.553878475e-01 2.22 5.049432547e-01 5.049432547e-01 2.24 1.802707446e-01 1.802707446e-01 2.26 -1.203363057e-01 -1.203363057e-01 2.28 -3.984361928e-01 -3.984361928e-01 2.30 -6.554382807e-01 -6.554382807e-01 2.32 -8.926110715e-01 -8.926110715e-01 2.34 -1.111088478e+00 -1.111088478e+00 2.36 -1.311877167e+00 -1.311877167e+00 2.38 -1.495865760e+00 -1.495865760e+00 2.40 -1.663842303e+00 -1.663842303e+00 2.42 -1.816522712e+00 -1.816522712e+00 2.44 -1.954586248e+00 -1.954586248e+00 2.46 -2.078713119e+00 -2.078713119e+00 2.48 -2.189616415e+00 -2.189616415e+00 2.50 -2.288065113e+00 -2.288065113e+00 2.52 -2.374897610e+00 -2.374897610e+00 2.54 -2.451027180e+00 -2.451027180e+00 2.56 -2.517439716e+00 -2.517439716e+00 2.58 -2.575375405e+00 -2.575375405e+00 2.60 -2.627133972e+00 -2.627133972e+00 2.62 -2.673506237e+00 -2.673506237e+00 2.64 -2.714799545e+00 -2.714799545e+00 2.66 -2.751348987e+00 -2.751348987e+00 2.68 -2.783459420e+00 -2.783459420e+00 2.70 -2.811371036e+00 -2.811371036e+00 2.72 -2.835250117e+00 -2.835250117e+00 2.74 -2.855203418e+00 -2.855203418e+00 2.76 -2.871307504e+00 -2.871307504e+00 2.78 -2.883618367e+00 -2.883618367e+00 2.80 -2.892177755e+00 -2.892177755e+00 2.82 -2.897009338e+00 -2.897009338e+00 2.84 -2.898129448e+00 -2.898129448e+00 2.86 -2.895555520e+00 -2.895555520e+00 2.88 -2.889313609e+00 -2.889313609e+00 2.90 -2.879445374e+00 -2.879445374e+00 2.92 -2.866015144e+00 -2.866015144e+00 2.94 -2.849117550e+00 -2.849117550e+00 2.96 -2.828885908e+00 -2.828885908e+00 2.98 -2.805500749e+00 -2.805500749e+00 3.00 -2.779196960e+00 -2.779196960e+00 3.02 -2.750267043e+00 -2.750267043e+00 3.04 -2.719057607e+00 -2.719057607e+00 3.06 -2.685958242e+00 -2.685958242e+00 3.08 -2.651380007e+00 -2.651380007e+00 3.10 -2.615730183e+00 -2.615730183e+00 3.12 -2.579384764e+00 -2.579384764e+00 3.14 -2.542666473e+00 -2.542666473e+00 3.16 -2.505829194e+00 -2.505829194e+00 3.18 -2.469054443e+00 -2.469054443e+00 3.20 -2.432455632e+00 -2.432455632e+00 3.22 -2.396088754e+00 -2.396088754e+00 3.24 -2.359966059e+00 -2.359966059e+00 3.26 -2.324069976e+00 -2.324069976e+00 3.28 -2.288369853e+00 -2.288369853e+00 3.30 -2.252831044e+00 -2.252831044e+00 3.32 -2.217402587e+00 -2.217402587e+00 3.34 -2.182038444e+00 -2.182038444e+00 3.36 -2.146701098e+00 -2.146701098e+00 3.38 -2.111363074e+00 -2.111363074e+00 3.40 -2.076007594e+00 -2.076007594e+00 3.42 -2.040628844e+00 -2.040628844e+00 3.44 -2.005231365e+00 -2.005231365e+00 3.46 -1.969829413e+00 -1.969829413e+00 3.48 -1.934445675e+00 -1.934445675e+00 3.50 -1.899108718e+00 -1.899108718e+00 3.52 -1.863843286e+00 -1.863843286e+00 3.54 -1.828672658e+00 -1.828672658e+00 3.56 -1.793623387e+00 -1.793623387e+00 3.58 -1.758723378e+00 -1.758723378e+00 3.60 -1.724000278e+00 -1.724000278e+00 3.62 -1.689480247e+00 -1.689480247e+00 3.64 -1.655187110e+00 -1.655187110e+00 3.66 -1.621141907e+00 -1.621141907e+00 3.68 -1.587362791e+00 -1.587362791e+00 3.70 -1.553865241e+00 -1.553865241e+00 3.72 -1.520662517e+00 -1.520662517e+00 3.74 -1.487766298e+00 -1.487766298e+00 3.76 -1.455187371e+00 -1.455187371e+00 3.78 -1.422936280e+00 -1.422936280e+00 3.80 -1.391023789e+00 -1.391023789e+00 3.82 -1.359461033e+00 -1.359461033e+00 3.84 -1.328259290e+00 -1.328259290e+00 3.86 -1.297429335e+00 -1.297429335e+00 3.88 -1.266980440e+00 -1.266980440e+00 3.90 -1.236919161e+00 -1.236919161e+00 3.92 -1.207248024e+00 -1.207248024e+00 3.94 -1.177964859e+00 -1.177964859e+00 3.96 -1.149061519e+00 -1.149061519e+00 3.98 -1.120524086e+00 -1.120524086e+00 4.00 -1.092333022e+00 -1.092333022e+00 4.02 -1.064463875e+00 -1.064463875e+00 4.04 -1.036888330e+00 -1.036888330e+00 4.06 -1.009575543e+00 -1.009575543e+00 4.08 -9.824936691e-01 -9.824936691e-01 4.10 -9.556112457e-01 -9.556112457e-01 4.12 -9.289002798e-01 -9.289002798e-01 4.14 -9.023361688e-01 -9.023361688e-01 4.16 -8.759011121e-01 -8.759011121e-01 4.18 -8.495857212e-01 -8.495857212e-01 4.20 -8.233908806e-01 -8.233908806e-01 4.22 -7.973293086e-01 -7.973293086e-01 4.24 -7.714266143e-01 -7.714266143e-01 4.26 -7.457216392e-01 -7.457216392e-01 4.28 -7.202659032e-01 -7.202659032e-01 4.30 -6.951220522e-01 -6.951220522e-01 4.32 -6.703613217e-01 -6.703613217e-01 4.34 -6.460601610e-01 -6.460601610e-01 4.36 -6.222962896e-01 -6.222962896e-01 4.38 -5.991445404e-01 -5.991445404e-01 4.40 -5.766728733e-01 -5.766728733e-01 4.42 -5.549388993e-01 -5.549388993e-01 4.44 -5.339871754e-01 -5.339871754e-01 4.46 -5.138474096e-01 -5.138474096e-01 4.48 -4.945336071e-01 -4.945336071e-01 4.50 -4.760440984e-01 -4.760440984e-01 4.52 -4.583623222e-01 -4.583623222e-01 4.54 -4.414582100e-01 -4.414582100e-01 4.56 -4.252900018e-01 -4.252900018e-01 4.58 -4.098063324e-01 -4.098063324e-01 4.60 -3.949484395e-01 -3.949484395e-01 4.62 -3.806523751e-01 -3.806523751e-01 4.64 -3.668511239e-01 -3.668511239e-01 4.66 -3.534765717e-01 -3.534765717e-01 4.68 -3.404612947e-01 -3.404612947e-01 4.70 -3.277401680e-01 -3.277401680e-01 4.72 -3.152518146e-01 -3.152518146e-01 4.74 -3.029399254e-01 -3.029399254e-01 4.76 -2.907544811e-01 -2.907544811e-01 4.78 -2.786529014e-01 -2.786529014e-01 4.80 -2.666009413e-01 -2.666009413e-01 4.82 -2.545744562e-01 -2.545744562e-01 4.84 -2.425590704e-01 -2.425590704e-01 4.86 -2.305516915e-01 -2.305516915e-01 4.88 -2.185606778e-01 -2.185606778e-01 4.90 -2.066058440e-01 -2.066058440e-01 4.92 -1.947179901e-01 -1.947179901e-01 4.94 -1.829378859e-01 -1.829378859e-01 4.96 -1.713146825e-01 -1.713146825e-01 4.98 -1.599037872e-01 -1.599037872e-01 5.00 -1.487642969e-01 -1.487642969e-01 5.02 -1.379561528e-01 -1.379561528e-01 5.04 -1.275372248e-01 -1.275372248e-01 5.06 -1.175605523e-01 -1.175605523e-01 5.08 -1.080719575e-01 -1.080719575e-01 5.10 -9.910820661e-02 -9.910820661e-02 5.12 -9.069583072e-02 -9.069583072e-02 5.14 -8.285063983e-02 -8.285063983e-02 5.16 -7.557789440e-02 -7.557789440e-02 5.18 -6.887303651e-02 -6.887303651e-02 5.20 -6.272284633e-02 -6.272284633e-02 5.22 -5.710687282e-02 -5.710687282e-02 5.24 -5.199899273e-02 -5.199899273e-02 5.26 -4.736897222e-02 -4.736897222e-02 5.28 -4.318393722e-02 -4.318393722e-02 5.30 -3.940965381e-02 -3.940965381e-02 5.32 -3.601164299e-02 -3.601164299e-02 5.34 -3.295606854e-02 -3.295606854e-02 5.36 -3.021037364e-02 -3.021037364e-02 5.38 -2.774303355e-02 -2.774303355e-02 5.40 -2.552558309e-02 -2.552558309e-02 5.42 -2.353214305e-02 -2.353214305e-02 5.44 -2.173900428e-02 -2.173900428e-02 5.46 -2.012465240e-02 -2.012465240e-02 5.48 -1.866964101e-02 -1.866964101e-02 5.50 -1.735651523e-02 -1.735651523e-02 5.52 -1.616968459e-02 -1.616968459e-02 5.54 -1.509526828e-02 -1.509526828e-02 5.56 -1.412092948e-02 -1.412092948e-02 5.58 -1.323571082e-02 -1.323571082e-02 5.60 -1.242987876e-02 -1.242987876e-02 5.62 -1.169478129e-02 -1.169478129e-02 5.64 -1.102272114e-02 -1.102272114e-02 5.66 -1.040684446e-02 -1.040684446e-02 5.68 -9.841043995e-03 -9.841043995e-03 5.70 -9.319875119e-03 -9.319875119e-03 5.72 -8.838482729e-03 -8.838482729e-03 5.74 -8.392537245e-03 -8.392537245e-03 5.76 -7.978178082e-03 -7.978178082e-03 5.78 -7.591963337e-03 -7.591963337e-03 5.80 -7.230824712e-03 -7.230824712e-03 5.82 -6.892026989e-03 -6.892026989e-03 5.84 -6.573131565e-03 -6.573131565e-03 5.86 -6.271963730e-03 -6.271963730e-03 5.88 -5.986583438e-03 -5.986583438e-03 5.90 -5.715259429e-03 -5.715259429e-03 5.92 -5.456446541e-03 -5.456446541e-03 5.94 -5.208766095e-03 -5.208766095e-03 5.96 -4.970989227e-03 -4.970989227e-03 5.98 -4.742023024e-03 -4.742023024e-03 6.00 -4.520899313e-03 -4.520899313e-03