# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2CuNi # 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 6.236980675e+02 6.236980675e+02 1.00 5.657370695e+02 5.657370695e+02 1.02 5.133884989e+02 5.133884989e+02 1.04 4.661046386e+02 4.661046386e+02 1.06 4.233890586e+02 4.233890586e+02 1.08 3.848003892e+02 3.848003892e+02 1.10 3.499393645e+02 3.499393645e+02 1.12 3.184387311e+02 3.184387311e+02 1.14 2.899707342e+02 2.899707342e+02 1.16 2.642363814e+02 2.642363814e+02 1.18 2.409688236e+02 2.409688236e+02 1.20 2.199239637e+02 2.199239637e+02 1.22 2.008828797e+02 2.008828797e+02 1.24 1.836467770e+02 1.836467770e+02 1.26 1.680340435e+02 1.680340435e+02 1.28 1.538829165e+02 1.538829165e+02 1.30 1.410480814e+02 1.410480814e+02 1.32 1.293966456e+02 1.293966456e+02 1.34 1.188102747e+02 1.188102747e+02 1.36 1.091815307e+02 1.091815307e+02 1.38 1.004142136e+02 1.004142136e+02 1.40 9.242269282e+01 9.242269282e+01 1.42 8.513057400e+01 8.513057400e+01 1.44 7.846675637e+01 7.846675637e+01 1.46 7.236964065e+01 7.236964065e+01 1.48 6.678334162e+01 6.678334162e+01 1.50 6.165789858e+01 6.165789858e+01 1.52 5.694896661e+01 5.694896661e+01 1.54 5.261621143e+01 5.261621143e+01 1.56 4.862435139e+01 4.862435139e+01 1.58 4.494139016e+01 4.494139016e+01 1.60 4.153872067e+01 4.153872067e+01 1.62 3.839121056e+01 3.839121056e+01 1.64 3.547446635e+01 3.547446635e+01 1.66 3.276903778e+01 3.276903778e+01 1.68 3.025676484e+01 3.025676484e+01 1.70 2.792077314e+01 2.792077314e+01 1.72 2.574562292e+01 2.574562292e+01 1.74 2.371905889e+01 2.371905889e+01 1.76 2.182856356e+01 2.182856356e+01 1.78 2.006349300e+01 2.006349300e+01 1.80 1.841816545e+01 1.841816545e+01 1.82 1.688038439e+01 1.688038439e+01 1.84 1.544518852e+01 1.544518852e+01 1.86 1.408718227e+01 1.408718227e+01 1.88 1.281337612e+01 1.281337612e+01 1.90 1.161658270e+01 1.161658270e+01 1.92 1.047758799e+01 1.047758799e+01 1.94 9.394180425e+00 9.394180425e+00 1.96 8.366295084e+00 8.366295084e+00 1.98 7.392830281e+00 7.392830281e+00 2.00 6.472371939e+00 6.472371939e+00 2.02 5.603561266e+00 5.603561266e+00 2.04 4.785070905e+00 4.785070905e+00 2.06 4.015506597e+00 4.015506597e+00 2.08 3.293396936e+00 3.293396936e+00 2.10 2.617084960e+00 2.617084960e+00 2.12 1.985178561e+00 1.985178561e+00 2.14 1.396721313e+00 1.396721313e+00 2.16 8.491052412e-01 8.491052412e-01 2.18 3.408022532e-01 3.408022532e-01 2.20 -1.297856080e-01 -1.297856080e-01 2.22 -5.645298272e-01 -5.645298272e-01 2.24 -9.649050943e-01 -9.649050943e-01 2.26 -1.332400065e+00 -1.332400065e+00 2.28 -1.668016721e+00 -1.668016721e+00 2.30 -1.974146565e+00 -1.974146565e+00 2.32 -2.252333056e+00 -2.252333056e+00 2.34 -2.504090847e+00 -2.504090847e+00 2.36 -2.730884148e+00 -2.730884148e+00 2.38 -2.933829114e+00 -2.933829114e+00 2.40 -3.114528527e+00 -3.114528527e+00 2.42 -3.274650200e+00 -3.274650200e+00 2.44 -3.415311521e+00 -3.415311521e+00 2.46 -3.537757495e+00 -3.537757495e+00 2.48 -3.643254975e+00 -3.643254975e+00 2.50 -3.732768637e+00 -3.732768637e+00 2.52 -3.807739903e+00 -3.807739903e+00 2.54 -3.869182552e+00 -3.869182552e+00 2.56 -3.917976901e+00 -3.917976901e+00 2.58 -3.955057913e+00 -3.955057913e+00 2.60 -3.981925499e+00 -3.981925499e+00 2.62 -3.999046144e+00 -3.999046144e+00 2.64 -4.006943599e+00 -4.006943599e+00 2.66 -4.006379219e+00 -4.006379219e+00 2.68 -3.998169187e+00 -3.998169187e+00 2.70 -3.982986654e+00 -3.982986654e+00 2.72 -3.961463075e+00 -3.961463075e+00 2.74 -3.934190392e+00 -3.934190392e+00 2.76 -3.901722554e+00 -3.901722554e+00 2.78 -3.864617213e+00 -3.864617213e+00 2.80 -3.823197322e+00 -3.823197322e+00 2.82 -3.777817838e+00 -3.777817838e+00 2.84 -3.729118169e+00 -3.729118169e+00 2.86 -3.676864286e+00 -3.676864286e+00 2.88 -3.621964135e+00 -3.621964135e+00 2.90 -3.564889600e+00 -3.564889600e+00 2.92 -3.506207862e+00 -3.506207862e+00 2.94 -3.445896066e+00 -3.445896066e+00 2.96 -3.384484915e+00 -3.384484915e+00 2.98 -3.321918163e+00 -3.321918163e+00 3.00 -3.258426524e+00 -3.258426524e+00 3.02 -3.194043117e+00 -3.194043117e+00 3.04 -3.128825751e+00 -3.128825751e+00 3.06 -3.063516537e+00 -3.063516537e+00 3.08 -2.997994767e+00 -2.997994767e+00 3.10 -2.932409976e+00 -2.932409976e+00 3.12 -2.866890740e+00 -2.866890740e+00 3.14 -2.801553697e+00 -2.801553697e+00 3.16 -2.736504433e+00 -2.736504433e+00 3.18 -2.671838305e+00 -2.671838305e+00 3.20 -2.607641213e+00 -2.607641213e+00 3.22 -2.543990303e+00 -2.543990303e+00 3.24 -2.480954657e+00 -2.480954657e+00 3.26 -2.418595989e+00 -2.418595989e+00 3.28 -2.356969068e+00 -2.356969068e+00 3.30 -2.296122207e+00 -2.296122207e+00 3.32 -2.236098088e+00 -2.236098088e+00 3.34 -2.176933976e+00 -2.176933976e+00 3.36 -2.118661923e+00 -2.118661923e+00 3.38 -2.061310004e+00 -2.061310004e+00 3.40 -2.004924543e+00 -2.004924543e+00 3.42 -1.949853975e+00 -1.949853975e+00 3.44 -1.895740147e+00 -1.895740147e+00 3.46 -1.842567784e+00 -1.842567784e+00 3.48 -1.790346777e+00 -1.790346777e+00 3.50 -1.739012003e+00 -1.739012003e+00 3.52 -1.688483146e+00 -1.688483146e+00 3.54 -1.638850632e+00 -1.638850632e+00 3.56 -1.590233911e+00 -1.590233911e+00 3.58 -1.542660699e+00 -1.542660699e+00 3.60 -1.496121870e+00 -1.496121870e+00 3.62 -1.450606802e+00 -1.450606802e+00 3.64 -1.406073643e+00 -1.406073643e+00 3.66 -1.362485725e+00 -1.362485725e+00 3.68 -1.319815859e+00 -1.319815859e+00 3.70 -1.278070425e+00 -1.278070425e+00 3.72 -1.237271672e+00 -1.237271672e+00 3.74 -1.197434041e+00 -1.197434041e+00 3.76 -1.158550083e+00 -1.158550083e+00 3.78 -1.120590785e+00 -1.120590785e+00 3.80 -1.083553611e+00 -1.083553611e+00 3.82 -1.047432631e+00 -1.047432631e+00 3.84 -1.012229523e+00 -1.012229523e+00 3.86 -9.778914256e-01 -9.778914256e-01 3.88 -9.442938064e-01 -9.442938064e-01 3.90 -9.114985463e-01 -9.114985463e-01 3.92 -8.795741002e-01 -8.795741002e-01 3.94 -8.485755361e-01 -8.485755361e-01 3.96 -8.185422713e-01 -8.185422713e-01 3.98 -7.894764175e-01 -7.894764175e-01 4.00 -7.613681903e-01 -7.613681903e-01 4.02 -7.342683561e-01 -7.342683561e-01 4.04 -7.080076266e-01 -7.080076266e-01 4.06 -6.824476894e-01 -6.824476894e-01 4.08 -6.574898471e-01 -6.574898471e-01 4.10 -6.330664428e-01 -6.330664428e-01 4.12 -6.091461380e-01 -6.091461380e-01 4.14 -5.857760847e-01 -5.857760847e-01 4.16 -5.629179450e-01 -5.629179450e-01 4.18 -5.406190929e-01 -5.406190929e-01 4.20 -5.184947008e-01 -5.184947008e-01 4.22 -4.964650143e-01 -4.964650143e-01 4.24 -4.744377045e-01 -4.744377045e-01 4.26 -4.524836354e-01 -4.524836354e-01 4.28 -4.306634756e-01 -4.306634756e-01 4.30 -4.096032853e-01 -4.096032853e-01 4.32 -3.891083339e-01 -3.891083339e-01 4.34 -3.689991870e-01 -3.689991870e-01 4.36 -3.493253205e-01 -3.493253205e-01 4.38 -3.300744496e-01 -3.300744496e-01 4.40 -3.112980424e-01 -3.112980424e-01 4.42 -2.930734064e-01 -2.930734064e-01 4.44 -2.754569259e-01 -2.754569259e-01 4.46 -2.584877493e-01 -2.584877493e-01 4.48 -2.421909105e-01 -2.421909105e-01 4.50 -2.265799510e-01 -2.265799510e-01 4.52 -2.116591288e-01 -2.116591288e-01 4.54 -1.974252718e-01 -1.974252718e-01 4.56 -1.838693327e-01 -1.838693327e-01 4.58 -1.709776805e-01 -1.709776805e-01 4.60 -1.587331737e-01 -1.587331737e-01 4.62 -1.471160518e-01 -1.471160518e-01 4.64 -1.361046693e-01 -1.361046693e-01 4.66 -1.256760981e-01 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