# 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 = AgMgNi2 # 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 2.113065465e+02 2.113065465e+02 1.30 1.949360527e+02 1.949360527e+02 1.32 1.798370421e+02 1.798370421e+02 1.34 1.659013116e+02 1.659013116e+02 1.36 1.530322901e+02 1.530322901e+02 1.38 1.411447735e+02 1.411447735e+02 1.40 1.301627299e+02 1.301627299e+02 1.42 1.200168952e+02 1.200168952e+02 1.44 1.106430803e+02 1.106430803e+02 1.46 1.019812029e+02 1.019812029e+02 1.48 9.397495920e+01 9.397495920e+01 1.50 8.657199253e+01 8.657199253e+01 1.52 7.972424935e+01 7.972424935e+01 1.54 7.338813224e+01 7.338813224e+01 1.56 6.752418372e+01 6.752418372e+01 1.58 6.209642008e+01 6.209642008e+01 1.60 5.707208506e+01 5.707208506e+01 1.62 5.242189834e+01 5.242189834e+01 1.64 4.811795493e+01 4.811795493e+01 1.66 4.413472201e+01 4.413472201e+01 1.68 4.044874416e+01 4.044874416e+01 1.70 3.703824666e+01 3.703824666e+01 1.72 3.388281738e+01 3.388281738e+01 1.74 3.096321995e+01 3.096321995e+01 1.76 2.826136339e+01 2.826136339e+01 1.78 2.576041953e+01 2.576041953e+01 1.80 2.344499655e+01 2.344499655e+01 1.82 2.130124484e+01 2.130124484e+01 1.84 1.931680110e+01 1.931680110e+01 1.86 1.748057249e+01 1.748057249e+01 1.88 1.578242649e+01 1.578242649e+01 1.90 1.421289576e+01 1.421289576e+01 1.92 1.276297406e+01 1.276297406e+01 1.94 1.142403387e+01 1.142403387e+01 1.96 1.018784909e+01 1.018784909e+01 1.98 9.046681268e+00 9.046681268e+00 2.00 7.993367689e+00 7.993367689e+00 2.02 7.021363694e+00 7.021363694e+00 2.04 6.124726932e+00 6.124726932e+00 2.06 5.298059623e+00 5.298059623e+00 2.08 4.536434573e+00 4.536434573e+00 2.10 3.835325807e+00 3.835325807e+00 2.12 3.190553369e+00 3.190553369e+00 2.14 2.598240918e+00 2.598240918e+00 2.16 2.054781081e+00 2.054781081e+00 2.18 1.556801251e+00 1.556801251e+00 2.20 1.101130211e+00 1.101130211e+00 2.22 6.847668792e-01 6.847668792e-01 2.24 3.048581336e-01 3.048581336e-01 2.26 -4.131345171e-02 -4.131345171e-02 2.28 -3.563365354e-01 -3.563365354e-01 2.30 -6.426762798e-01 -6.426762798e-01 2.32 -9.026823552e-01 -9.026823552e-01 2.34 -1.138586287e+00 -1.138586287e+00 2.36 -1.352484508e+00 -1.352484508e+00 2.38 -1.546305976e+00 -1.546305976e+00 2.40 -1.721773386e+00 -1.721773386e+00 2.42 -1.880394358e+00 -1.880394358e+00 2.44 -2.023475302e+00 -2.023475302e+00 2.46 -2.152155806e+00 -2.152155806e+00 2.48 -2.267450667e+00 -2.267450667e+00 2.50 -2.370287137e+00 -2.370287137e+00 2.52 -2.461521859e+00 -2.461521859e+00 2.54 -2.541775707e+00 -2.541775707e+00 2.56 -2.611496291e+00 -2.611496291e+00 2.58 -2.671160486e+00 -2.671160486e+00 2.60 -2.721274729e+00 -2.721274729e+00 2.62 -2.762367989e+00 -2.762367989e+00 2.64 -2.794986635e+00 -2.794986635e+00 2.66 -2.819689065e+00 -2.819689065e+00 2.68 -2.837067452e+00 -2.837067452e+00 2.70 -2.847786772e+00 -2.847786772e+00 2.72 -2.852343579e+00 -2.852343579e+00 2.74 -2.851237227e+00 -2.851237227e+00 2.76 -2.844984135e+00 -2.844984135e+00 2.78 -2.834097812e+00 -2.834097812e+00 2.80 -2.819067152e+00 -2.819067152e+00 2.82 -2.800336418e+00 -2.800336418e+00 2.84 -2.778294809e+00 -2.778294809e+00 2.86 -2.753279932e+00 -2.753279932e+00 2.88 -2.725580463e+00 -2.725580463e+00 2.90 -2.695442007e+00 -2.695442007e+00 2.92 -2.663079299e+00 -2.663079299e+00 2.94 -2.628687262e+00 -2.628687262e+00 2.96 -2.592449722e+00 -2.592449722e+00 2.98 -2.554545650e+00 -2.554545650e+00 3.00 -2.515153177e+00 -2.515153177e+00 3.02 -2.474451744e+00 -2.474451744e+00 3.04 -2.432622374e+00 -2.432622374e+00 3.06 -2.389847311e+00 -2.389847311e+00 3.08 -2.346313052e+00 -2.346313052e+00 3.10 -2.302207202e+00 -2.302207202e+00 3.12 -2.257677207e+00 -2.257677207e+00 3.14 -2.212860981e+00 -2.212860981e+00 3.16 -2.167884935e+00 -2.167884935e+00 3.18 -2.122863413e+00 -2.122863413e+00 3.20 -2.077898254e+00 -2.077898254e+00 3.22 -2.033079694e+00 -2.033079694e+00 3.24 -1.988486476e+00 -1.988486476e+00 3.26 -1.944168791e+00 -1.944168791e+00 3.28 -1.900158103e+00 -1.900158103e+00 3.30 -1.856486729e+00 -1.856486729e+00 3.32 -1.813187403e+00 -1.813187403e+00 3.34 -1.770291996e+00 -1.770291996e+00 3.36 -1.727830137e+00 -1.727830137e+00 3.38 -1.685827988e+00 -1.685827988e+00 3.40 -1.644307342e+00 -1.644307342e+00 3.42 -1.603285386e+00 -1.603285386e+00 3.44 -1.562774436e+00 -1.562774436e+00 3.46 -1.522782417e+00 -1.522782417e+00 3.48 -1.483313293e+00 -1.483313293e+00 3.50 -1.444367625e+00 -1.444367625e+00 3.52 -1.405943166e+00 -1.405943166e+00 3.54 -1.368035458e+00 -1.368035458e+00 3.56 -1.330638418e+00 -1.330638418e+00 3.58 -1.293744881e+00 -1.293744881e+00 3.60 -1.257347116e+00 -1.257347116e+00 3.62 -1.221437296e+00 -1.221437296e+00 3.64 -1.186007963e+00 -1.186007963e+00 3.66 -1.151052536e+00 -1.151052536e+00 3.68 -1.116565926e+00 -1.116565926e+00 3.70 -1.082545324e+00 -1.082545324e+00 3.72 -1.048991207e+00 -1.048991207e+00 3.74 -1.015908538e+00 -1.015908538e+00 3.76 -9.833080776e-01 -9.833080776e-01 3.78 -9.512076318e-01 -9.512076318e-01 3.80 -9.196329679e-01 -9.196329679e-01 3.82 -8.886181044e-01 -8.886181044e-01 3.84 -8.582046787e-01 -8.582046787e-01 3.86 -8.284402075e-01 -8.284402075e-01 3.88 -7.993752352e-01 -7.993752352e-01 3.90 -7.710596014e-01 -7.710596014e-01 3.92 -7.435381827e-01 -7.435381827e-01 3.94 -7.168473169e-01 -7.168473169e-01 3.96 -6.910109002e-01 -6.910109002e-01 3.98 -6.660388198e-01 -6.660388198e-01 4.00 -6.419261919e-01 -6.419261919e-01 4.02 -6.186540629e-01 -6.186540629e-01 4.04 -5.961911694e-01 -5.961911694e-01 4.06 -5.744963708e-01 -5.744963708e-01 4.08 -5.535213574e-01 -5.535213574e-01 4.10 -5.332130212e-01 -5.332130212e-01 4.12 -5.135170683e-01 -5.135170683e-01 4.14 -4.943781290e-01 -4.943781290e-01 4.16 -4.757427691e-01 -4.757427691e-01 4.18 -4.575604466e-01 -4.575604466e-01 4.20 -4.397845706e-01 -4.397845706e-01 4.22 -4.223733770e-01 -4.223733770e-01 4.24 -4.052906875e-01 -4.052906875e-01 4.26 -3.885065958e-01 -3.885065958e-01 4.28 -3.719981041e-01 -3.719981041e-01 4.30 -3.557497090e-01 -3.557497090e-01 4.32 -3.397539128e-01 -3.397539128e-01 4.34 -3.240116186e-01 -3.240116186e-01 4.36 -3.085323452e-01 -3.085323452e-01 4.38 -2.933341826e-01 -2.933341826e-01 4.40 -2.784433946e-01 -2.784433946e-01 4.42 -2.638935781e-01 -2.638935781e-01 4.44 -2.497243071e-01 -2.497243071e-01 4.46 -2.359792387e-01 -2.359792387e-01 4.48 -2.227037329e-01 -2.227037329e-01 4.50 -2.099421245e-01 -2.099421245e-01 4.52 -1.977348733e-01 -1.977348733e-01 4.54 -1.861158721e-01 -1.861158721e-01 4.56 -1.751101987e-01 -1.751101987e-01 4.58 -1.647325521e-01 -1.647325521e-01 4.60 -1.549865155e-01 -1.549865155e-01 4.62 -1.458646735e-01 -1.458646735e-01 4.64 -1.373494960e-01 -1.373494960e-01 4.66 -1.294148221e-01 -1.294148221e-01 4.68 -1.220276953e-01 -1.220276953e-01 4.70 -1.151503758e-01 -1.151503758e-01 4.72 -1.087423308e-01 -1.087423308e-01 4.74 -1.027618184e-01 -1.027618184e-01 4.76 -9.716686438e-02 -9.716686438e-02 4.78 -9.191909463e-02 -9.191909463e-02 4.80 -8.698241010e-02 -8.698241010e-02 4.82 -8.232436779e-02 -8.232436779e-02 4.84 -7.791542290e-02 -7.791542290e-02 4.86 -7.373019532e-02 -7.373019532e-02 4.88 -6.974731477e-02 -6.974731477e-02 4.90 -6.594934372e-02 -6.594934372e-02 4.92 -6.232256128e-02 -6.232256128e-02 4.94 -5.885660743e-02 -5.885660743e-02 4.96 -5.554406881e-02 -5.554406881e-02 4.98 -5.238007772e-02 -5.238007772e-02 5.00 -4.936168879e-02 -4.936168879e-02 5.02 -4.648731371e-02 -4.648731371e-02 5.04 -4.375616508e-02 -4.375616508e-02 5.06 -4.116773680e-02 -4.116773680e-02 5.08 -3.872134985e-02 -3.872134985e-02 5.10 -3.641578696e-02 -3.641578696e-02 5.12 -3.424903121e-02 -3.424903121e-02 5.14 -3.221811384e-02 -3.221811384e-02 5.16 -3.031906659e-02 -3.031906659e-02 5.18 -2.854696539e-02 -2.854696539e-02 5.20 -2.689604543e-02 -2.689604543e-02 5.22 -2.535986738e-02 -2.535986738e-02 5.24 -2.393151131e-02 -2.393151131e-02 5.26 -2.260377893e-02 -2.260377893e-02 5.28 -2.136938804e-02 -2.136938804e-02 5.30 -2.022114755e-02 -2.022114755e-02 5.32 -1.915210553e-02 -1.915210553e-02 5.34 -1.815566634e-02 -1.815566634e-02 5.36 -1.722567597e-02 -1.722567597e-02 5.38 -1.635647648e-02 -1.635647648e-02 5.40 -1.554293223e-02 -1.554293223e-02 5.42 -1.478040783e-02 -1.478040783e-02 5.44 -1.406475046e-02 -1.406475046e-02 5.46 -1.339233859e-02 -1.339233859e-02 5.48 -1.275996692e-02 -1.275996692e-02 5.50 -1.216478898e-02 -1.216478898e-02 5.52 -1.160425977e-02 -1.160425977e-02 5.54 -1.107607961e-02 -1.107607961e-02 5.56 -1.057814297e-02 -1.057814297e-02 5.58 -1.010849473e-02 -1.010849473e-02 5.60 -9.665295524e-03 -9.665295524e-03 5.62 -9.246796576e-03 -9.246796576e-03 5.64 -8.851323388e-03 -8.851323388e-03 5.66 -8.477266934e-03 -8.477266934e-03 5.68 -8.123080610e-03 -8.123080610e-03 5.70 -7.787281035e-03 -7.787281035e-03 5.72 -7.468450939e-03 -7.468450939e-03 5.74 -7.165242721e-03 -7.165242721e-03 5.76 -6.876381613e-03 -6.876381613e-03 5.78 -6.600667812e-03 -6.600667812e-03 5.80 -6.336977281e-03 -6.336977281e-03 5.82 -6.084261200e-03 -6.084261200e-03 5.84 -5.841544237e-03 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