# 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 = PdPtZr2 # 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 4.587259066e+02 4.587259066e+02 1.30 4.288785690e+02 4.288785690e+02 1.32 4.010621905e+02 4.010621905e+02 1.34 3.751200437e+02 3.751200437e+02 1.36 3.509113423e+02 3.509113423e+02 1.38 3.283083250e+02 3.283083250e+02 1.40 3.071928805e+02 3.071928805e+02 1.42 2.874557856e+02 2.874557856e+02 1.44 2.689972812e+02 2.689972812e+02 1.46 2.517261768e+02 2.517261768e+02 1.48 2.355580750e+02 2.355580750e+02 1.50 2.204149716e+02 2.204149716e+02 1.52 2.062258439e+02 2.062258439e+02 1.54 1.929260253e+02 1.929260253e+02 1.56 1.804555125e+02 1.804555125e+02 1.58 1.687567494e+02 1.687567494e+02 1.60 1.577737048e+02 1.577737048e+02 1.62 1.474524715e+02 1.474524715e+02 1.64 1.377430832e+02 1.377430832e+02 1.66 1.286010114e+02 1.286010114e+02 1.68 1.199878765e+02 1.199878765e+02 1.70 1.118709356e+02 1.118709356e+02 1.72 1.042216119e+02 1.042216119e+02 1.74 9.701356473e+01 9.701356473e+01 1.76 9.022114403e+01 9.022114403e+01 1.78 8.381879018e+01 8.381879018e+01 1.80 7.778157092e+01 7.778157092e+01 1.82 7.208609251e+01 7.208609251e+01 1.84 6.671154254e+01 6.671154254e+01 1.86 6.163994006e+01 6.163994006e+01 1.88 5.685543672e+01 5.685543672e+01 1.90 5.234303089e+01 5.234303089e+01 1.92 4.808759474e+01 4.808759474e+01 1.94 4.407393847e+01 4.407393847e+01 1.96 4.028696515e+01 4.028696515e+01 1.98 3.671146266e+01 3.671146266e+01 2.00 3.336021970e+01 3.336021970e+01 2.02 3.025093264e+01 3.025093264e+01 2.04 2.736624990e+01 2.736624990e+01 2.06 2.469024457e+01 2.469024457e+01 2.08 2.220859949e+01 2.220859949e+01 2.10 1.990836874e+01 1.990836874e+01 2.12 1.777761332e+01 1.777761332e+01 2.14 1.580509817e+01 1.580509817e+01 2.16 1.398002550e+01 1.398002550e+01 2.18 1.229193305e+01 1.229193305e+01 2.20 1.073077426e+01 1.073077426e+01 2.22 9.287054697e+00 9.287054697e+00 2.24 7.951965792e+00 7.951965792e+00 2.26 6.717462823e+00 6.717462823e+00 2.28 5.576268721e+00 5.576268721e+00 2.30 4.521858644e+00 4.521858644e+00 2.32 3.548397948e+00 3.548397948e+00 2.34 2.650607121e+00 2.650607121e+00 2.36 1.823681860e+00 1.823681860e+00 2.38 1.063176410e+00 1.063176410e+00 2.40 3.649102849e-01 3.649102849e-01 2.42 -2.751126042e-01 -2.751126042e-01 2.44 -8.607482926e-01 -8.607482926e-01 2.46 -1.395746806e+00 -1.395746806e+00 2.48 -1.883754644e+00 -1.883754644e+00 2.50 -2.328301452e+00 -2.328301452e+00 2.52 -2.732776510e+00 -2.732776510e+00 2.54 -3.100399321e+00 -3.100399321e+00 2.56 -3.434185530e+00 -3.434185530e+00 2.58 -3.736911542e+00 -3.736911542e+00 2.60 -4.011086550e+00 -4.011086550e+00 2.62 -4.258941697e+00 -4.258941697e+00 2.64 -4.482445926e+00 -4.482445926e+00 2.66 -4.683333484e+00 -4.683333484e+00 2.68 -4.863148781e+00 -4.863148781e+00 2.70 -5.023286976e+00 -5.023286976e+00 2.72 -5.165027793e+00 -5.165027793e+00 2.74 -5.289558932e+00 -5.289558932e+00 2.76 -5.398063808e+00 -5.398063808e+00 2.78 -5.491598661e+00 -5.491598661e+00 2.80 -5.571035300e+00 -5.571035300e+00 2.82 -5.637198530e+00 -5.637198530e+00 2.84 -5.690982045e+00 -5.690982045e+00 2.86 -5.734089981e+00 -5.734089981e+00 2.88 -5.767278051e+00 -5.767278051e+00 2.90 -5.791034998e+00 -5.791034998e+00 2.92 -5.805879205e+00 -5.805879205e+00 2.94 -5.812302300e+00 -5.812302300e+00 2.96 -5.810659000e+00 -5.810659000e+00 2.98 -5.801331906e+00 -5.801331906e+00 3.00 -5.784751392e+00 -5.784751392e+00 3.02 -5.761371705e+00 -5.761371705e+00 3.04 -5.731644975e+00 -5.731644975e+00 3.06 -5.696018874e+00 -5.696018874e+00 3.08 -5.654901231e+00 -5.654901231e+00 3.10 -5.608673829e+00 -5.608673829e+00 3.12 -5.557686164e+00 -5.557686164e+00 3.14 -5.502277674e+00 -5.502277674e+00 3.16 -5.442849329e+00 -5.442849329e+00 3.18 -5.379887733e+00 -5.379887733e+00 3.20 -5.313606469e+00 -5.313606469e+00 3.22 -5.244222750e+00 -5.244222750e+00 3.24 -5.171972910e+00 -5.171972910e+00 3.26 -5.097113796e+00 -5.097113796e+00 3.28 -5.019923146e+00 -5.019923146e+00 3.30 -4.940697299e+00 -4.940697299e+00 3.32 -4.859744834e+00 -4.859744834e+00 3.34 -4.777376170e+00 -4.777376170e+00 3.36 -4.693897662e+00 -4.693897662e+00 3.38 -4.609612431e+00 -4.609612431e+00 3.40 -4.524786927e+00 -4.524786927e+00 3.42 -4.439649335e+00 -4.439649335e+00 3.44 -4.354381312e+00 -4.354381312e+00 3.46 -4.269130686e+00 -4.269130686e+00 3.48 -4.184016624e+00 -4.184016624e+00 3.50 -4.099136542e+00 -4.099136542e+00 3.52 -4.014571726e+00 -4.014571726e+00 3.54 -3.930391236e+00 -3.930391236e+00 3.56 -3.846654181e+00 -3.846654181e+00 3.58 -3.763410736e+00 -3.763410736e+00 3.60 -3.680702357e+00 -3.680702357e+00 3.62 -3.598561629e+00 -3.598561629e+00 3.64 -3.517012141e+00 -3.517012141e+00 3.66 -3.436068680e+00 -3.436068680e+00 3.68 -3.355737995e+00 -3.355737995e+00 3.70 -3.276020277e+00 -3.276020277e+00 3.72 -3.196911460e+00 -3.196911460e+00 3.74 -3.118406282e+00 -3.118406282e+00 3.76 -3.040501965e+00 -3.040501965e+00 3.78 -2.963202166e+00 -2.963202166e+00 3.80 -2.886523387e+00 -2.886523387e+00 3.82 -2.810521796e+00 -2.810521796e+00 3.84 -2.735278936e+00 -2.735278936e+00 3.86 -2.660883738e+00 -2.660883738e+00 3.88 -2.587430386e+00 -2.587430386e+00 3.90 -2.515014410e+00 -2.515014410e+00 3.92 -2.443724336e+00 -2.443724336e+00 3.94 -2.373649887e+00 -2.373649887e+00 3.96 -2.304856350e+00 -2.304856350e+00 3.98 -2.237397103e+00 -2.237397103e+00 4.00 -2.171309277e+00 -2.171309277e+00 4.02 -2.106615449e+00 -2.106615449e+00 4.04 -2.043326805e+00 -2.043326805e+00 4.06 -1.981447050e+00 -1.981447050e+00 4.08 -1.920976321e+00 -1.920976321e+00 4.10 -1.861907117e+00 -1.861907117e+00 4.12 -1.804257779e+00 -1.804257779e+00 4.14 -1.748024586e+00 -1.748024586e+00 4.16 -1.693216521e+00 -1.693216521e+00 4.18 -1.639845080e+00 -1.639845080e+00 4.20 -1.587922527e+00 -1.587922527e+00 4.22 -1.537459620e+00 -1.537459620e+00 4.24 -1.488463158e+00 -1.488463158e+00 4.26 -1.440933665e+00 -1.440933665e+00 4.28 -1.394863483e+00 -1.394863483e+00 4.30 -1.350235499e+00 -1.350235499e+00 4.32 -1.307022588e+00 -1.307022588e+00 4.34 -1.265187783e+00 -1.265187783e+00 4.36 -1.224685059e+00 -1.224685059e+00 4.38 -1.185460585e+00 -1.185460585e+00 4.40 -1.147454254e+00 -1.147454254e+00 4.42 -1.110601319e+00 -1.110601319e+00 4.44 -1.074834004e+00 -1.074834004e+00 4.46 -1.040082985e+00 -1.040082985e+00 4.48 -1.006278727e+00 -1.006278727e+00 4.50 -9.733526387e-01 -9.733526387e-01 4.52 -9.412381093e-01 -9.412381093e-01 4.54 -9.098714473e-01 -9.098714473e-01 4.56 -8.791927807e-01 -8.791927807e-01 4.58 -8.491469601e-01 -8.491469601e-01 4.60 -8.196844929e-01 -8.196844929e-01 4.62 -7.907625197e-01 -7.907625197e-01 4.64 -7.623458163e-01 -7.623458163e-01 4.66 -7.344077808e-01 -7.344077808e-01 4.68 -7.069313375e-01 -7.069313375e-01 4.70 -6.799096680e-01 -6.799096680e-01 4.72 -6.533466645e-01 -6.533466645e-01 4.74 -6.272569969e-01 -6.272569969e-01 4.76 -6.016656968e-01 -6.016656968e-01 4.78 -5.766071901e-01 -5.766071901e-01 4.80 -5.521177065e-01 -5.521177065e-01 4.82 -5.282583870e-01 -5.282583870e-01 4.84 -5.050732488e-01 -5.050732488e-01 4.86 -4.826139539e-01 -4.826139539e-01 4.88 -4.609296004e-01 -4.609296004e-01 4.90 -4.400639133e-01 -4.400639133e-01 4.92 -4.200527824e-01 -4.200527824e-01 4.94 -4.009223333e-01 -4.009223333e-01 4.96 -3.826876625e-01 -3.826876625e-01 4.98 -3.653522912e-01 -3.653522912e-01 5.00 -3.489083188e-01 -3.489083188e-01 5.02 -3.333371902e-01 -3.333371902e-01 5.04 -3.186109442e-01 -3.186109442e-01 5.06 -3.046937841e-01 -3.046937841e-01 5.08 -2.915438145e-01 -2.915438145e-01 5.10 -2.791148006e-01 -2.791148006e-01 5.12 -2.673578405e-01 -2.673578405e-01 5.14 -2.562228729e-01 -2.562228729e-01 5.16 -2.456599766e-01 -2.456599766e-01 5.18 -2.356204489e-01 -2.356204489e-01 5.20 -2.260576704e-01 -2.260576704e-01 5.22 -2.169277790e-01 -2.169277790e-01 5.24 -2.081901832e-01 -2.081901832e-01 5.26 -1.998079453e-01 -1.998079453e-01 5.28 -1.917480625e-01 -1.917480625e-01 5.30 -1.839816658e-01 -1.839816658e-01 5.32 -1.764841482e-01 -1.764841482e-01 5.34 -1.692352250e-01 -1.692352250e-01 5.36 -1.622189169e-01 -1.622189169e-01 5.38 -1.554234447e-01 -1.554234447e-01 5.40 -1.488410161e-01 -1.488410161e-01 5.42 -1.424674905e-01 -1.424674905e-01 5.44 -1.363019125e-01 -1.363019125e-01 5.46 -1.303459167e-01 -1.303459167e-01 5.48 -1.246030238e-01 -1.246030238e-01 5.50 -1.190778600e-01 -1.190778600e-01 5.52 -1.137753509e-01 -1.137753509e-01 5.54 -1.086999478e-01 -1.086999478e-01 5.56 -1.038549402e-01 -1.038549402e-01 5.58 -9.924190830e-02 -9.924190830e-02 5.60 -9.486027268e-02 -9.486027268e-02 5.62 -9.070692552e-02 -9.070692552e-02 5.64 -8.677699246e-02 -8.677699246e-02 5.66 -8.306345903e-02 -8.306345903e-02 5.68 -7.955736626e-02 -7.955736626e-02 5.70 -7.624817791e-02 -7.624817791e-02 5.72 -7.312418240e-02 -7.312418240e-02 5.74 -7.017289291e-02 -7.017289291e-02 5.76 -6.738141774e-02 -6.738141774e-02 5.78 -6.473678279e-02 -6.473678279e-02 5.80 -6.222619655e-02 -6.222619655e-02 5.82 -5.983725564e-02 -5.983725564e-02 5.84 -5.755809433e-02 -5.755809433e-02 5.86 -5.537748483e-02 -5.537748483e-02 5.88 -5.328489707e-02 -5.328489707e-02 5.90 -5.127052728e-02 -5.127052728e-02 5.92 -4.932530442e-02 -4.932530442e-02 5.94 -4.744088239e-02 -4.744088239e-02 5.96 -4.560962530e-02 -4.560962530e-02 5.98 -4.382459122e-02 -4.382459122e-02 6.00 -4.207951910e-02 -4.207951910e-02