# 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 = MoPdZr2 # 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 3.950529568e+02 3.950529568e+02 1.30 3.676395097e+02 3.676395097e+02 1.32 3.421854763e+02 3.421854763e+02 1.34 3.185427605e+02 3.185427605e+02 1.36 2.965749820e+02 2.965749820e+02 1.38 2.761546655e+02 2.761546655e+02 1.40 2.571618848e+02 2.571618848e+02 1.42 2.394845143e+02 2.394845143e+02 1.44 2.230192576e+02 2.230192576e+02 1.46 2.076720928e+02 2.076720928e+02 1.48 1.933578551e+02 1.933578551e+02 1.50 1.799996086e+02 1.799996086e+02 1.52 1.675281432e+02 1.675281432e+02 1.54 1.558812058e+02 1.558812058e+02 1.56 1.450025211e+02 1.450025211e+02 1.58 1.348406530e+02 1.348406530e+02 1.60 1.253480468e+02 1.253480468e+02 1.62 1.164803142e+02 1.164803142e+02 1.64 1.081959064e+02 1.081959064e+02 1.66 1.004559351e+02 1.004559351e+02 1.68 9.322409037e+01 9.322409037e+01 1.70 8.646654559e+01 8.646654559e+01 1.72 8.015170099e+01 8.015170099e+01 1.74 7.424986839e+01 7.424986839e+01 1.76 6.873303299e+01 6.873303299e+01 1.78 6.357477842e+01 6.357477842e+01 1.80 5.875029966e+01 5.875029966e+01 1.82 5.423639720e+01 5.423639720e+01 1.84 5.001147346e+01 5.001147346e+01 1.86 4.605558301e+01 4.605558301e+01 1.88 4.235041726e+01 4.235041726e+01 1.90 3.887921451e+01 3.887921451e+01 1.92 3.562661887e+01 3.562661887e+01 1.94 3.257861428e+01 3.257861428e+01 1.96 2.972299894e+01 2.972299894e+01 1.98 2.704806361e+01 2.704806361e+01 2.00 2.454498332e+01 2.454498332e+01 2.02 2.221241324e+01 2.221241324e+01 2.04 2.004186114e+01 2.004186114e+01 2.06 1.802260110e+01 1.802260110e+01 2.08 1.614444175e+01 1.614444175e+01 2.10 1.439770982e+01 1.439770982e+01 2.12 1.277324401e+01 1.277324401e+01 2.14 1.126242541e+01 1.126242541e+01 2.16 9.857215400e+00 9.857215400e+00 2.18 8.550176593e+00 8.550176593e+00 2.20 7.334487182e+00 7.334487182e+00 2.22 6.203903998e+00 6.203903998e+00 2.24 5.152719278e+00 5.152719278e+00 2.26 4.175718680e+00 4.175718680e+00 2.28 3.268131753e+00 3.268131753e+00 2.30 2.425619531e+00 2.425619531e+00 2.32 1.644206251e+00 1.644206251e+00 2.34 9.202338359e-01 9.202338359e-01 2.36 2.502887319e-01 2.502887319e-01 2.38 -3.688566991e-01 -3.688566991e-01 2.40 -9.402908084e-01 -9.402908084e-01 2.42 -1.467000491e+00 -1.467000491e+00 2.44 -1.951879665e+00 -1.951879665e+00 2.46 -2.397736603e+00 -2.397736603e+00 2.48 -2.807278289e+00 -2.807278289e+00 2.50 -3.183085362e+00 -3.183085362e+00 2.52 -3.527582805e+00 -3.527582805e+00 2.54 -3.843013890e+00 -3.843013890e+00 2.56 -4.131423451e+00 -4.131423451e+00 2.58 -4.394654464e+00 -4.394654464e+00 2.60 -4.634359338e+00 -4.634359338e+00 2.62 -4.852021079e+00 -4.852021079e+00 2.64 -5.048995172e+00 -5.048995172e+00 2.66 -5.226522439e+00 -5.226522439e+00 2.68 -5.385767911e+00 -5.385767911e+00 2.70 -5.527835554e+00 -5.527835554e+00 2.72 -5.653778601e+00 -5.653778601e+00 2.74 -5.764602879e+00 -5.764602879e+00 2.76 -5.861273908e+00 -5.861273908e+00 2.78 -5.944802882e+00 -5.944802882e+00 2.80 -6.015973471e+00 -6.015973471e+00 2.82 -6.075463860e+00 -6.075463860e+00 2.84 -6.123922980e+00 -6.123922980e+00 2.86 -6.161968083e+00 -6.161968083e+00 2.88 -6.190188847e+00 -6.190188847e+00 2.90 -6.209082480e+00 -6.209082480e+00 2.92 -6.219181249e+00 -6.219181249e+00 2.94 -6.221066136e+00 -6.221066136e+00 2.96 -6.215089727e+00 -6.215089727e+00 2.98 -6.201535463e+00 -6.201535463e+00 3.00 -6.180705980e+00 -6.180705980e+00 3.02 -6.152912324e+00 -6.152912324e+00 3.04 -6.118461685e+00 -6.118461685e+00 3.06 -6.077667593e+00 -6.077667593e+00 3.08 -6.030946155e+00 -6.030946155e+00 3.10 -5.978789904e+00 -5.978789904e+00 3.12 -5.921183608e+00 -5.921183608e+00 3.14 -5.858159847e+00 -5.858159847e+00 3.16 -5.789802472e+00 -5.789802472e+00 3.18 -5.716257709e+00 -5.716257709e+00 3.20 -5.637721796e+00 -5.637721796e+00 3.22 -5.554435338e+00 -5.554435338e+00 3.24 -5.466680542e+00 -5.466680542e+00 3.26 -5.374798551e+00 -5.374798551e+00 3.28 -5.279187553e+00 -5.279187553e+00 3.30 -5.180274789e+00 -5.180274789e+00 3.32 -5.078512215e+00 -5.078512215e+00 3.34 -4.974369711e+00 -4.974369711e+00 3.36 -4.868325349e+00 -4.868325349e+00 3.38 -4.760854967e+00 -4.760854967e+00 3.40 -4.652421602e+00 -4.652421602e+00 3.42 -4.543476320e+00 -4.543476320e+00 3.44 -4.434443275e+00 -4.434443275e+00 3.46 -4.325725041e+00 -4.325725041e+00 3.48 -4.217697740e+00 -4.217697740e+00 3.50 -4.110707329e+00 -4.110707329e+00 3.52 -4.005064884e+00 -4.005064884e+00 3.54 -3.901041535e+00 -3.901041535e+00 3.56 -3.798863968e+00 -3.798863968e+00 3.58 -3.698711363e+00 -3.698711363e+00 3.60 -3.600714351e+00 -3.600714351e+00 3.62 -3.504956206e+00 -3.504956206e+00 3.64 -3.411476161e+00 -3.411476161e+00 3.66 -3.320274533e+00 -3.320274533e+00 3.68 -3.231319207e+00 -3.231319207e+00 3.70 -3.144553039e+00 -3.144553039e+00 3.72 -3.059901765e+00 -3.059901765e+00 3.74 -2.977282030e+00 -2.977282030e+00 3.76 -2.896609167e+00 -2.896609167e+00 3.78 -2.817804307e+00 -2.817804307e+00 3.80 -2.740800348e+00 -2.740800348e+00 3.82 -2.665546223e+00 -2.665546223e+00 3.84 -2.592008970e+00 -2.592008970e+00 3.86 -2.520173222e+00 -2.520173222e+00 3.88 -2.450038152e+00 -2.450038152e+00 3.90 -2.381612282e+00 -2.381612282e+00 3.92 -2.314903560e+00 -2.314903560e+00 3.94 -2.249927964e+00 -2.249927964e+00 3.96 -2.186680722e+00 -2.186680722e+00 3.98 -2.125149918e+00 -2.125149918e+00 4.00 -2.065311329e+00 -2.065311329e+00 4.02 -2.007129812e+00 -2.007129812e+00 4.04 -1.950562154e+00 -1.950562154e+00 4.06 -1.895560548e+00 -1.895560548e+00 4.08 -1.842075972e+00 -1.842075972e+00 4.10 -1.790052569e+00 -1.790052569e+00 4.12 -1.739464276e+00 -1.739464276e+00 4.14 -1.690260578e+00 -1.690260578e+00 4.16 -1.642405106e+00 -1.642405106e+00 4.18 -1.595864593e+00 -1.595864593e+00 4.20 -1.550607774e+00 -1.550607774e+00 4.22 -1.506604211e+00 -1.506604211e+00 4.24 -1.463823267e+00 -1.463823267e+00 4.26 -1.422233343e+00 -1.422233343e+00 4.28 -1.381801459e+00 -1.381801459e+00 4.30 -1.342493147e+00 -1.342493147e+00 4.32 -1.304272597e+00 -1.304272597e+00 4.34 -1.267102978e+00 -1.267102978e+00 4.36 -1.230946852e+00 -1.230946852e+00 4.38 -1.195766610e+00 -1.195766610e+00 4.40 -1.161524885e+00 -1.161524885e+00 4.42 -1.128184924e+00 -1.128184924e+00 4.44 -1.095710896e+00 -1.095710896e+00 4.46 -1.064068169e+00 -1.064068169e+00 4.48 -1.033223541e+00 -1.033223541e+00 4.50 -1.003145471e+00 -1.003145471e+00 4.52 -9.738042976e-01 -9.738042976e-01 4.54 -9.451724840e-01 -9.451724840e-01 4.56 -9.172248737e-01 -9.172248737e-01 4.58 -8.899389651e-01 -8.899389651e-01 4.60 -8.632951913e-01 -8.632951913e-01 4.62 -8.372771802e-01 -8.372771802e-01 4.64 -8.118719677e-01 -8.118719677e-01 4.66 -7.870701240e-01 -7.870701240e-01 4.68 -7.628657551e-01 -7.628657551e-01 4.70 -7.392563392e-01 -7.392563392e-01 4.72 -7.162423744e-01 -7.162423744e-01 4.74 -6.938268243e-01 -6.938268243e-01 4.76 -6.720143764e-01 -6.720143764e-01 4.78 -6.508105516e-01 -6.508105516e-01 4.80 -6.302145528e-01 -6.302145528e-01 4.82 -6.102440168e-01 -6.102440168e-01 4.84 -5.908937523e-01 -5.908937523e-01 4.86 -5.721632084e-01 -5.721632084e-01 4.88 -5.540485017e-01 -5.540485017e-01 4.90 -5.365421294e-01 -5.365421294e-01 4.92 -5.196329336e-01 -5.196329336e-01 4.94 -5.033062916e-01 -5.033062916e-01 4.96 -4.875444878e-01 -4.875444878e-01 4.98 -4.723272110e-01 -4.723272110e-01 5.00 -4.576321173e-01 -4.576321173e-01 5.02 -4.434354090e-01 -4.434354090e-01 5.04 -4.297123859e-01 -4.297123859e-01 5.06 -4.164379414e-01 -4.164379414e-01 5.08 -4.035869889e-01 -4.035869889e-01 5.10 -3.911348132e-01 -3.911348132e-01 5.12 -3.790573531e-01 -3.790573531e-01 5.14 -3.673314253e-01 -3.673314253e-01 5.16 -3.559349038e-01 -3.559349038e-01 5.18 -3.448468704e-01 -3.448468704e-01 5.20 -3.340477508e-01 -3.340477508e-01 5.22 -3.235194493e-01 -3.235194493e-01 5.24 -3.132454906e-01 -3.132454906e-01 5.26 -3.032111755e-01 -3.032111755e-01 5.28 -2.934037496e-01 -2.934037496e-01 5.30 -2.838125789e-01 -2.838125789e-01 5.32 -2.744293217e-01 -2.744293217e-01 5.34 -2.652480772e-01 -2.652480772e-01 5.36 -2.562654887e-01 -2.562654887e-01 5.38 -2.474807729e-01 -2.474807729e-01 5.40 -2.388956512e-01 -2.388956512e-01 5.42 -2.305141574e-01 -2.305141574e-01 5.44 -2.223423103e-01 -2.223423103e-01 5.46 -2.143876503e-01 -2.143876503e-01 5.48 -2.066586562e-01 -2.066586562e-01 5.50 -1.991640754e-01 -1.991640754e-01 5.52 -1.919122187e-01 -1.919122187e-01 5.54 -1.849102742e-01 -1.849102742e-01 5.56 -1.781636994e-01 -1.781636994e-01 5.58 -1.716757417e-01 -1.716757417e-01 5.60 -1.654469178e-01 -1.654469178e-01 5.62 -1.594751287e-01 -1.594751287e-01 5.64 -1.537560308e-01 -1.537560308e-01 5.66 -1.482827629e-01 -1.482827629e-01 5.68 -1.430462593e-01 -1.430462593e-01 5.70 -1.380356402e-01 -1.380356402e-01 5.72 -1.332386350e-01 -1.332386350e-01 5.74 -1.286420006e-01 -1.286420006e-01 5.76 -1.242319072e-01 -1.242319072e-01 5.78 -1.199942757e-01 -1.199942757e-01 5.80 -1.159150552e-01 -1.159150552e-01 5.82 -1.119804418e-01 -1.119804418e-01 5.84 -1.081770404e-01 -1.081770404e-01 5.86 -1.044919783e-01 -1.044919783e-01 5.88 -1.009129798e-01 -1.009129798e-01 5.90 -9.742841198e-02 -9.742841198e-02 5.92 -9.402731081e-02 -9.402731081e-02 5.94 -9.069939755e-02 -9.069939755e-02 5.96 -8.743509254e-02 -8.743509254e-02 5.98 -8.422553331e-02 -8.422553331e-02 6.00 -8.106260206e-02 -8.106260206e-02