# 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 = AlCuTi2 # 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 1.615272728e+02 1.615272728e+02 1.30 1.494760983e+02 1.494760983e+02 1.32 1.383301369e+02 1.383301369e+02 1.34 1.280159526e+02 1.280159526e+02 1.36 1.184657966e+02 1.184657966e+02 1.38 1.096187508e+02 1.096187508e+02 1.40 1.014199561e+02 1.014199561e+02 1.42 9.381897677e+01 9.381897677e+01 1.44 8.676858908e+01 8.676858908e+01 1.46 8.022447104e+01 8.022447104e+01 1.48 7.414559430e+01 7.414559430e+01 1.50 6.849486640e+01 6.849486640e+01 1.52 6.323940962e+01 6.323940962e+01 1.54 5.835015052e+01 5.835015052e+01 1.56 5.380101681e+01 5.380101681e+01 1.58 4.956820558e+01 4.956820558e+01 1.60 4.562973236e+01 4.562973236e+01 1.62 4.196523424e+01 4.196523424e+01 1.64 3.855584702e+01 3.855584702e+01 1.66 3.538399067e+01 3.538399067e+01 1.68 3.243313212e+01 3.243313212e+01 1.70 2.968772284e+01 2.968772284e+01 1.72 2.713359088e+01 2.713359088e+01 1.74 2.475770506e+01 2.475770506e+01 1.76 2.254789923e+01 2.254789923e+01 1.78 2.049347169e+01 2.049347169e+01 1.80 1.858512782e+01 1.858512782e+01 1.82 1.681282821e+01 1.681282821e+01 1.84 1.516724099e+01 1.516724099e+01 1.86 1.363976752e+01 1.363976752e+01 1.88 1.222239673e+01 1.222239673e+01 1.90 1.090751161e+01 1.090751161e+01 1.92 9.687739307e+00 9.687739307e+00 1.94 8.555922145e+00 8.555922145e+00 1.96 7.505231602e+00 7.505231602e+00 1.98 6.529363993e+00 6.529363993e+00 2.00 5.622699151e+00 5.622699151e+00 2.02 4.780334820e+00 4.780334820e+00 2.04 3.997998338e+00 3.997998338e+00 2.06 3.271901242e+00 3.271901242e+00 2.08 2.598605849e+00 2.598605849e+00 2.10 1.974935989e+00 1.974935989e+00 2.12 1.397924155e+00 1.397924155e+00 2.14 8.647743724e-01 8.647743724e-01 2.16 3.728302791e-01 3.728302791e-01 2.18 -8.045211454e-02 -8.045211454e-02 2.20 -4.975254144e-01 -4.975254144e-01 2.22 -8.807672686e-01 -8.807672686e-01 2.24 -1.232490993e+00 -1.232490993e+00 2.26 -1.554946583e+00 -1.554946583e+00 2.28 -1.850308551e+00 -1.850308551e+00 2.30 -2.120649960e+00 -2.120649960e+00 2.32 -2.367909191e+00 -2.367909191e+00 2.34 -2.593853946e+00 -2.593853946e+00 2.36 -2.800054065e+00 -2.800054065e+00 2.38 -2.987872821e+00 -2.987872821e+00 2.40 -3.158484281e+00 -3.158484281e+00 2.42 -3.312913678e+00 -3.312913678e+00 2.44 -3.452088359e+00 -3.452088359e+00 2.46 -3.576885811e+00 -3.576885811e+00 2.48 -3.688168456e+00 -3.688168456e+00 2.50 -3.786801779e+00 -3.786801779e+00 2.52 -3.873657628e+00 -3.873657628e+00 2.54 -3.949608023e+00 -3.949608023e+00 2.56 -4.015515496e+00 -4.015515496e+00 2.58 -4.072272179e+00 -4.072272179e+00 2.60 -4.120752623e+00 -4.120752623e+00 2.62 -4.161623922e+00 -4.161623922e+00 2.64 -4.195524382e+00 -4.195524382e+00 2.66 -4.223054612e+00 -4.223054612e+00 2.68 -4.244763486e+00 -4.244763486e+00 2.70 -4.261139806e+00 -4.261139806e+00 2.72 -4.272610642e+00 -4.272610642e+00 2.74 -4.279528716e+00 -4.279528716e+00 2.76 -4.282054784e+00 -4.282054784e+00 2.78 -4.280265950e+00 -4.280265950e+00 2.80 -4.274248285e+00 -4.274248285e+00 2.82 -4.264111182e+00 -4.264111182e+00 2.84 -4.250577956e+00 -4.250577956e+00 2.86 -4.233907934e+00 -4.233907934e+00 2.88 -4.213838188e+00 -4.213838188e+00 2.90 -4.190198275e+00 -4.190198275e+00 2.92 -4.162900872e+00 -4.162900872e+00 2.94 -4.131933091e+00 -4.131933091e+00 2.96 -4.097349358e+00 -4.097349358e+00 2.98 -4.059266601e+00 -4.059266601e+00 3.00 -4.017863998e+00 -4.017863998e+00 3.02 -3.973400401e+00 -3.973400401e+00 3.04 -3.926197669e+00 -3.926197669e+00 3.06 -3.876606400e+00 -3.876606400e+00 3.08 -3.824985731e+00 -3.824985731e+00 3.10 -3.771682745e+00 -3.771682745e+00 3.12 -3.717013045e+00 -3.717013045e+00 3.14 -3.661247339e+00 -3.661247339e+00 3.16 -3.604604765e+00 -3.604604765e+00 3.18 -3.547254049e+00 -3.547254049e+00 3.20 -3.489319393e+00 -3.489319393e+00 3.22 -3.430889179e+00 -3.430889179e+00 3.24 -3.372025331e+00 -3.372025331e+00 3.26 -3.312771967e+00 -3.312771967e+00 3.28 -3.253162709e+00 -3.253162709e+00 3.30 -3.193226463e+00 -3.193226463e+00 3.32 -3.132991795e+00 -3.132991795e+00 3.34 -3.072490131e+00 -3.072490131e+00 3.36 -3.011758023e+00 -3.011758023e+00 3.38 -2.950838750e+00 -2.950838750e+00 3.40 -2.889783431e+00 -2.889783431e+00 3.42 -2.828652027e+00 -2.828652027e+00 3.44 -2.767513926e+00 -2.767513926e+00 3.46 -2.706448706e+00 -2.706448706e+00 3.48 -2.645546444e+00 -2.645546444e+00 3.50 -2.584907418e+00 -2.584907418e+00 3.52 -2.524640710e+00 -2.524640710e+00 3.54 -2.464861300e+00 -2.464861300e+00 3.56 -2.405685528e+00 -2.405685528e+00 3.58 -2.347225261e+00 -2.347225261e+00 3.60 -2.289581620e+00 -2.289581620e+00 3.62 -2.232839420e+00 -2.232839420e+00 3.64 -2.177063415e+00 -2.177063415e+00 3.66 -2.122297036e+00 -2.122297036e+00 3.68 -2.068563662e+00 -2.068563662e+00 3.70 -2.015869895e+00 -2.015869895e+00 3.72 -1.964210022e+00 -1.964210022e+00 3.74 -1.913570759e+00 -1.913570759e+00 3.76 -1.863935547e+00 -1.863935547e+00 3.78 -1.815287944e+00 -1.815287944e+00 3.80 -1.767613844e+00 -1.767613844e+00 3.82 -1.720902510e+00 -1.720902510e+00 3.84 -1.675146515e+00 -1.675146515e+00 3.86 -1.630340811e+00 -1.630340811e+00 3.88 -1.586481232e+00 -1.586481232e+00 3.90 -1.543562762e+00 -1.543562762e+00 3.92 -1.501577836e+00 -1.501577836e+00 3.94 -1.460515251e+00 -1.460515251e+00 3.96 -1.420359056e+00 -1.420359056e+00 3.98 -1.381088547e+00 -1.381088547e+00 4.00 -1.342678472e+00 -1.342678472e+00 4.02 -1.305099682e+00 -1.305099682e+00 4.04 -1.268320024e+00 -1.268320024e+00 4.06 -1.232305360e+00 -1.232305360e+00 4.08 -1.197020621e+00 -1.197020621e+00 4.10 -1.162430716e+00 -1.162430716e+00 4.12 -1.128502089e+00 -1.128502089e+00 4.14 -1.095202881e+00 -1.095202881e+00 4.16 -1.062504525e+00 -1.062504525e+00 4.18 -1.030382576e+00 -1.030382576e+00 4.20 -9.988176689e-01 -9.988176689e-01 4.22 -9.677963849e-01 -9.677963849e-01 4.24 -9.373119550e-01 -9.373119550e-01 4.26 -9.073647051e-01 -9.073647051e-01 4.28 -8.779621557e-01 -8.779621557e-01 4.30 -8.491187061e-01 -8.491187061e-01 4.32 -8.208548717e-01 -8.208548717e-01 4.34 -7.931960894e-01 -7.931960894e-01 4.36 -7.661711572e-01 -7.661711572e-01 4.38 -7.398104097e-01 -7.398104097e-01 4.40 -7.141437604e-01 -7.141437604e-01 4.42 -6.891987419e-01 -6.891987419e-01 4.44 -6.649986713e-01 -6.649986713e-01 4.46 -6.415610492e-01 -6.415610492e-01 4.48 -6.188962806e-01 -6.188962806e-01 4.50 -5.970067830e-01 -5.970067830e-01 4.52 -5.758865237e-01 -5.758865237e-01 4.54 -5.555209970e-01 -5.555209970e-01 4.56 -5.358876201e-01 -5.358876201e-01 4.58 -5.169564982e-01 -5.169564982e-01 4.60 -4.986914796e-01 -4.986914796e-01 4.62 -4.810514108e-01 -4.810514108e-01 4.64 -4.639914970e-01 -4.639914970e-01 4.66 -4.474646886e-01 -4.474646886e-01 4.68 -4.314230293e-01 -4.314230293e-01 4.70 -4.158189277e-01 -4.158189277e-01 4.72 -4.006063379e-01 -4.006063379e-01 4.74 -3.857418473e-01 -3.857418473e-01 4.76 -3.711856839e-01 -3.711856839e-01 4.78 -3.569026560e-01 -3.569026560e-01 4.80 -3.428629426e-01 -3.428629426e-01 4.82 -3.290432618e-01 -3.290432618e-01 4.84 -3.154270249e-01 -3.154270249e-01 4.86 -3.020053152e-01 -3.020053152e-01 4.88 -2.887771787e-01 -2.887771787e-01 4.90 -2.757497614e-01 -2.757497614e-01 4.92 -2.629381161e-01 -2.629381161e-01 4.94 -2.503646232e-01 -2.503646232e-01 4.96 -2.380579884e-01 -2.380579884e-01 4.98 -2.260518238e-01 -2.260518238e-01 5.00 -2.143828620e-01 -2.143828620e-01 5.02 -2.030889066e-01 -2.030889066e-01 5.04 -1.922066622e-01 -1.922066622e-01 5.06 -1.817696185e-01 -1.817696185e-01 5.08 -1.718061628e-01 -1.718061628e-01 5.10 -1.623380779e-01 -1.623380779e-01 5.12 -1.533795336e-01 -1.533795336e-01 5.14 -1.449366264e-01 -1.449366264e-01 5.16 -1.370074511e-01 -1.370074511e-01 5.18 -1.295826409e-01 -1.295826409e-01 5.20 -1.226462663e-01 -1.226462663e-01 5.22 -1.161769680e-01 -1.161769680e-01 5.24 -1.101491954e-01 -1.101491954e-01 5.26 -1.045344485e-01 -1.045344485e-01 5.28 -9.930243047e-02 -9.930243047e-02 5.30 -9.442197786e-02 -9.442197786e-02 5.32 -8.986161331e-02 -8.986161331e-02 5.34 -8.559130559e-02 -8.559130559e-02 5.36 -8.158218148e-02 -8.158218148e-02 5.38 -7.780676136e-02 -7.780676136e-02 5.40 -7.423922941e-02 -7.423922941e-02 5.42 -7.085558578e-02 -7.085558578e-02 5.44 -6.763371335e-02 -6.763371335e-02 5.46 -6.455338765e-02 -6.455338765e-02 5.48 -6.159625358e-02 -6.159625358e-02 5.50 -5.874578780e-02 -5.874578780e-02 5.52 -5.598726110e-02 -5.598726110e-02 5.54 -5.330771047e-02 -5.330771047e-02 5.56 -5.069592705e-02 -5.069592705e-02 5.58 -4.814246162e-02 -4.814246162e-02 5.60 -4.563964604e-02 -4.563964604e-02 5.62 -4.318162500e-02 -4.318162500e-02 5.64 -4.076438901e-02 -4.076438901e-02 5.66 -3.838579620e-02 -3.838579620e-02 5.68 -3.604557079e-02 -3.604557079e-02 5.70 -3.374525891e-02 -3.374525891e-02 5.72 -3.148812957e-02 -3.148812957e-02 5.74 -2.927900920e-02 -2.927900920e-02 5.76 -2.712404319e-02 -2.712404319e-02 5.78 -2.503038648e-02 -2.503038648e-02 5.80 -2.300582779e-02 -2.300582779e-02 5.82 -2.105837554e-02 -2.105837554e-02 5.84 -1.919582603e-02 -1.919582603e-02 5.86 -1.742534313e-02 -1.742534313e-02 5.88 -1.575308188e-02 -1.575308188e-02 5.90 -1.418388330e-02 -1.418388330e-02 5.92 -1.272096573e-02 -1.272096573e-02 5.94 -1.136578036e-02 -1.136578036e-02 5.96 -1.011851356e-02 -1.011851356e-02 5.98 -8.977756340e-03 -8.977756340e-03 6.00 -7.940638955e-03 -7.940638955e-03