# 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 = AlFe2Pt # 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 2.003238511e+02 2.003238511e+02 1.30 1.848223681e+02 1.848223681e+02 1.32 1.704537857e+02 1.704537857e+02 1.34 1.571428596e+02 1.571428596e+02 1.36 1.448197292e+02 1.448197292e+02 1.38 1.334123013e+02 1.334123013e+02 1.40 1.228454342e+02 1.228454342e+02 1.42 1.130454627e+02 1.130454627e+02 1.44 1.039455938e+02 1.039455938e+02 1.46 9.548880477e+01 9.548880477e+01 1.48 8.762729075e+01 8.762729075e+01 1.50 8.031968368e+01 8.031968368e+01 1.52 7.352794743e+01 7.352794743e+01 1.54 6.721510799e+01 6.721510799e+01 1.56 6.134425736e+01 6.134425736e+01 1.58 5.587872288e+01 5.587872288e+01 1.60 5.078285265e+01 5.078285265e+01 1.62 4.602298991e+01 4.602298991e+01 1.64 4.156854707e+01 4.156854707e+01 1.66 3.739322124e+01 3.739322124e+01 1.68 3.351002544e+01 3.351002544e+01 1.70 2.995090578e+01 2.995090578e+01 1.72 2.669841965e+01 2.669841965e+01 1.74 2.373437175e+01 2.373437175e+01 1.76 2.103978214e+01 2.103978214e+01 1.78 1.859409878e+01 1.859409878e+01 1.80 1.637565129e+01 1.637565129e+01 1.82 1.436291257e+01 1.436291257e+01 1.84 1.253570974e+01 1.253570974e+01 1.86 1.087591583e+01 1.087591583e+01 1.88 9.367592690e+00 9.367592690e+00 1.90 7.996762148e+00 7.996762148e+00 1.92 6.750998405e+00 6.750998405e+00 1.94 5.618993472e+00 5.618993472e+00 1.96 4.590216476e+00 4.590216476e+00 1.98 3.654753693e+00 3.654753693e+00 2.00 2.803344469e+00 2.803344469e+00 2.02 2.027539757e+00 2.027539757e+00 2.04 1.319862556e+00 1.319862556e+00 2.06 6.738724367e-01 6.738724367e-01 2.08 8.410334678e-02 8.410334678e-02 2.10 -4.540938068e-01 -4.540938068e-01 2.12 -9.447438649e-01 -9.447438649e-01 2.14 -1.391420804e+00 -1.391420804e+00 2.16 -1.797370680e+00 -1.797370680e+00 2.18 -2.165580017e+00 -2.165580017e+00 2.20 -2.498804069e+00 -2.498804069e+00 2.22 -2.799575014e+00 -2.799575014e+00 2.24 -3.070205510e+00 -3.070205510e+00 2.26 -3.312795302e+00 -3.312795302e+00 2.28 -3.529242757e+00 -3.529242757e+00 2.30 -3.721260762e+00 -3.721260762e+00 2.32 -3.890396550e+00 -3.890396550e+00 2.34 -4.038055182e+00 -4.038055182e+00 2.36 -4.166377256e+00 -4.166377256e+00 2.38 -4.277286642e+00 -4.277286642e+00 2.40 -4.371502763e+00 -4.371502763e+00 2.42 -4.449795345e+00 -4.449795345e+00 2.44 -4.513005917e+00 -4.513005917e+00 2.46 -4.562065121e+00 -4.562065121e+00 2.48 -4.598005291e+00 -4.598005291e+00 2.50 -4.621963535e+00 -4.621963535e+00 2.52 -4.635169386e+00 -4.635169386e+00 2.54 -4.638912721e+00 -4.638912721e+00 2.56 -4.634492985e+00 -4.634492985e+00 2.58 -4.623157687e+00 -4.623157687e+00 2.60 -4.606042339e+00 -4.606042339e+00 2.62 -4.584123156e+00 -4.584123156e+00 2.64 -4.558221625e+00 -4.558221625e+00 2.66 -4.529584544e+00 -4.529584544e+00 2.68 -4.498617092e+00 -4.498617092e+00 2.70 -4.465279010e+00 -4.465279010e+00 2.72 -4.429470410e+00 -4.429470410e+00 2.74 -4.391056404e+00 -4.391056404e+00 2.76 -4.349890701e+00 -4.349890701e+00 2.78 -4.305834689e+00 -4.305834689e+00 2.80 -4.258767383e+00 -4.258767383e+00 2.82 -4.208485973e+00 -4.208485973e+00 2.84 -4.154729988e+00 -4.154729988e+00 2.86 -4.097331636e+00 -4.097331636e+00 2.88 -4.036223016e+00 -4.036223016e+00 2.90 -3.971436170e+00 -3.971436170e+00 2.92 -3.903102726e+00 -3.903102726e+00 2.94 -3.831450413e+00 -3.831450413e+00 2.96 -3.756793767e+00 -3.756793767e+00 2.98 -3.679517276e+00 -3.679517276e+00 3.00 -3.600051293e+00 -3.600051293e+00 3.02 -3.518843489e+00 -3.518843489e+00 3.04 -3.436330340e+00 -3.436330340e+00 3.06 -3.352914987e+00 -3.352914987e+00 3.08 -3.269042314e+00 -3.269042314e+00 3.10 -3.185212516e+00 -3.185212516e+00 3.12 -3.101827423e+00 -3.101827423e+00 3.14 -3.019196787e+00 -3.019196787e+00 3.16 -2.937561762e+00 -2.937561762e+00 3.18 -2.857117573e+00 -2.857117573e+00 3.20 -2.778032684e+00 -2.778032684e+00 3.22 -2.700462816e+00 -2.700462816e+00 3.24 -2.624559009e+00 -2.624559009e+00 3.26 -2.550469809e+00 -2.550469809e+00 3.28 -2.478338472e+00 -2.478338472e+00 3.30 -2.408296753e+00 -2.408296753e+00 3.32 -2.340457116e+00 -2.340457116e+00 3.34 -2.274905232e+00 -2.274905232e+00 3.36 -2.211694260e+00 -2.211694260e+00 3.38 -2.150841871e+00 -2.150841871e+00 3.40 -2.092330314e+00 -2.092330314e+00 3.42 -2.036109285e+00 -2.036109285e+00 3.44 -1.982100899e+00 -1.982100899e+00 3.46 -1.930205940e+00 -1.930205940e+00 3.48 -1.880310502e+00 -1.880310502e+00 3.50 -1.832292323e+00 -1.832292323e+00 3.52 -1.786026300e+00 -1.786026300e+00 3.54 -1.741388929e+00 -1.741388929e+00 3.56 -1.698261601e+00 -1.698261601e+00 3.58 -1.656532802e+00 -1.656532802e+00 3.60 -1.616099390e+00 -1.616099390e+00 3.62 -1.576867118e+00 -1.576867118e+00 3.64 -1.538750604e+00 -1.538750604e+00 3.66 -1.501672911e+00 -1.501672911e+00 3.68 -1.465564864e+00 -1.465564864e+00 3.70 -1.430364244e+00 -1.430364244e+00 3.72 -1.396014902e+00 -1.396014902e+00 3.74 -1.362465879e+00 -1.362465879e+00 3.76 -1.329670555e+00 -1.329670555e+00 3.78 -1.297585860e+00 -1.297585860e+00 3.80 -1.266171556e+00 -1.266171556e+00 3.82 -1.235389616e+00 -1.235389616e+00 3.84 -1.205203692e+00 -1.205203692e+00 3.86 -1.175578700e+00 -1.175578700e+00 3.88 -1.146480524e+00 -1.146480524e+00 3.90 -1.117875848e+00 -1.117875848e+00 3.92 -1.089732153e+00 -1.089732153e+00 3.94 -1.062017886e+00 -1.062017886e+00 3.96 -1.034702808e+00 -1.034702808e+00 3.98 -1.007758568e+00 -1.007758568e+00 4.00 -9.811594873e-01 -9.811594873e-01 4.02 -9.548835497e-01 -9.548835497e-01 4.04 -9.289135656e-01 -9.289135656e-01 4.06 -9.032384380e-01 -9.032384380e-01 4.08 -8.778544232e-01 -8.778544232e-01 4.10 -8.527662213e-01 -8.527662213e-01 4.12 -8.279877954e-01 -8.279877954e-01 4.14 -8.035425158e-01 -8.035425158e-01 4.16 -7.794627440e-01 -7.794627440e-01 4.18 -7.557885222e-01 -7.557885222e-01 4.20 -7.325654511e-01 -7.325654511e-01 4.22 -7.098418556e-01 -7.098418556e-01 4.24 -6.876654780e-01 -6.876654780e-01 4.26 -6.660800347e-01 -6.660800347e-01 4.28 -6.451220061e-01 -6.451220061e-01 4.30 -6.248179970e-01 -6.248179970e-01 4.32 -6.051829153e-01 -6.051829153e-01 4.34 -5.862190830e-01 -5.862190830e-01 4.36 -5.679162631e-01 -5.679162631e-01 4.38 -5.502524720e-01 -5.502524720e-01 4.40 -5.331953775e-01 -5.331953775e-01 4.42 -5.167040643e-01 -5.167040643e-01 4.44 -5.007309299e-01 -5.007309299e-01 4.46 -4.852235527e-01 -4.852235527e-01 4.48 -4.701264268e-01 -4.701264268e-01 4.50 -4.553824917e-01 -4.553824917e-01 4.52 -4.409343609e-01 -4.409343609e-01 4.54 -4.267252240e-01 -4.267252240e-01 4.56 -4.127005486e-01 -4.127005486e-01 4.58 -3.988082783e-01 -3.988082783e-01 4.60 -3.849995696e-01 -3.849995696e-01 4.62 -3.712300958e-01 -3.712300958e-01 4.64 -3.574603049e-01 -3.574603049e-01 4.66 -3.436555959e-01 -3.436555959e-01 4.68 -3.297885990e-01 -3.297885990e-01 4.70 -3.158400751e-01 -3.158400751e-01 4.72 -3.017998316e-01 -3.017998316e-01 4.74 -2.876675837e-01 -2.876675837e-01 4.76 -2.734536420e-01 -2.734536420e-01 4.78 -2.591793100e-01 -2.591793100e-01 4.80 -2.448768767e-01 -2.448768767e-01 4.82 -2.305891560e-01 -2.305891560e-01 4.84 -2.163684391e-01 -2.163684391e-01 4.86 -2.022749919e-01 -2.022749919e-01 4.88 -1.883750614e-01 -1.883750614e-01 4.90 -1.747385419e-01 -1.747385419e-01 4.92 -1.614364355e-01 -1.614364355e-01 4.94 -1.485382704e-01 -1.485382704e-01 4.96 -1.361096309e-01 -1.361096309e-01 4.98 -1.242099382e-01 -1.242099382e-01 5.00 -1.128905890e-01 -1.128905890e-01 5.02 -1.021935268e-01 -1.021935268e-01 5.04 -9.215028717e-02 -9.215028717e-02 5.06 -8.278153134e-02 -8.278153134e-02 5.08 -7.409705115e-02 -7.409705115e-02 5.10 -6.609620929e-02 -6.609620929e-02 5.12 -5.876875426e-02 -5.876875426e-02 5.14 -5.209593365e-02 -5.209593365e-02 5.16 -4.605181720e-02 -4.605181720e-02 5.18 -4.060473663e-02 -4.060473663e-02 5.20 -3.571875287e-02 -3.571875287e-02 5.22 -3.135507201e-02 -3.135507201e-02 5.24 -2.747334570e-02 -2.747334570e-02 5.26 -2.403280661e-02 -2.403280661e-02 5.28 -2.099322937e-02 -2.099322937e-02 5.30 -1.831569229e-02 -1.831569229e-02 5.32 -1.596304602e-02 -1.596304602e-02 5.34 -1.389985761e-02 -1.389985761e-02 5.36 -1.209430952e-02 -1.209430952e-02 5.38 -1.051719933e-02 -1.051719933e-02 5.40 -9.141790945e-03 -9.141790945e-03 5.42 -7.943849061e-03 -7.943849061e-03 5.44 -6.901584790e-03 -6.901584790e-03 5.46 -5.995541545e-03 -5.995541545e-03 5.48 -5.208443594e-03 -5.208443594e-03 5.50 -4.525024100e-03 -4.525024100e-03 5.52 -3.931844892e-03 -3.931844892e-03 5.54 -3.417116610e-03 -3.417116610e-03 5.56 -2.970525044e-03 -2.970525044e-03 5.58 -2.583067395e-03 -2.583067395e-03 5.60 -2.246900588e-03 -2.246900588e-03 5.62 -1.955202690e-03 -1.955202690e-03 5.64 -1.702047628e-03 -1.702047628e-03 5.66 -1.482292926e-03 -1.482292926e-03 5.68 -1.291479798e-03 -1.291479798e-03 5.70 -1.125744749e-03 -1.125744749e-03 5.72 -9.817417288e-04 -9.817417288e-04 5.74 -8.565738291e-04 -8.565738291e-04 5.76 -7.477335689e-04 -7.477335689e-04 5.78 -6.530508081e-04 -6.530508081e-04 5.80 -5.706474235e-04 -5.706474235e-04 5.82 -4.988979386e-04 -4.988979386e-04 5.84 -4.363953751e-04 -4.363953751e-04 5.86 -3.819216697e-04 -3.819216697e-04 5.88 -3.344220706e-04 -3.344220706e-04 5.90 -2.929829943e-04 -2.929829943e-04 5.92 -2.568128879e-04 -2.568128879e-04 5.94 -2.252256939e-04 -2.252256939e-04 5.96 -1.976265702e-04 -1.976265702e-04 5.98 -1.734995584e-04 -1.734995584e-04 6.00 -1.523969370e-04 -1.523969370e-04