# 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 = CoW2Zr # 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 3.533617219e+02 3.533617219e+02 1.30 3.262600153e+02 3.262600153e+02 1.32 3.012620999e+02 3.012620999e+02 1.34 2.781854353e+02 2.781854353e+02 1.36 2.568615719e+02 2.568615719e+02 1.38 2.371371603e+02 2.371371603e+02 1.40 2.188752386e+02 2.188752386e+02 1.42 2.019549069e+02 2.019549069e+02 1.44 1.862692943e+02 1.862692943e+02 1.46 1.717231705e+02 1.717231705e+02 1.48 1.582311673e+02 1.582311673e+02 1.50 1.457164324e+02 1.457164324e+02 1.52 1.341094051e+02 1.341094051e+02 1.54 1.233467918e+02 1.233467918e+02 1.56 1.133709103e+02 1.133709103e+02 1.58 1.041292092e+02 1.041292092e+02 1.60 9.557347842e+01 9.557347842e+01 1.62 8.765865872e+01 8.765865872e+01 1.64 8.034162535e+01 8.034162535e+01 1.66 7.358040270e+01 7.358040270e+01 1.68 6.733399561e+01 6.733399561e+01 1.70 6.156276804e+01 6.156276804e+01 1.72 5.622894636e+01 5.622894636e+01 1.74 5.129703904e+01 5.129703904e+01 1.76 4.673409291e+01 4.673409291e+01 1.78 4.250986661e+01 4.250986661e+01 1.80 3.859689418e+01 3.859689418e+01 1.82 3.497046675e+01 3.497046675e+01 1.84 3.160845234e+01 3.160845234e+01 1.86 2.849113598e+01 2.849113598e+01 1.88 2.560102631e+01 2.560102631e+01 1.90 2.292260951e+01 2.292260951e+01 1.92 2.044198094e+01 2.044198094e+01 1.94 1.814677911e+01 1.814677911e+01 1.96 1.602647234e+01 1.602647234e+01 1.98 1.406993821e+01 1.406993821e+01 2.00 1.226636748e+01 1.226636748e+01 2.02 1.060566798e+01 1.060566798e+01 2.04 9.077586370e+00 9.077586370e+00 2.06 7.672128395e+00 7.672128395e+00 2.08 6.379549286e+00 6.379549286e+00 2.10 5.190367083e+00 5.190367083e+00 2.12 4.095466435e+00 4.095466435e+00 2.14 3.086265866e+00 3.086265866e+00 2.16 2.154917731e+00 2.154917731e+00 2.18 1.294454047e+00 1.294454047e+00 2.20 4.988443763e-01 4.988443763e-01 2.22 -2.370591019e-01 -2.370591019e-01 2.24 -9.176402036e-01 -9.176402036e-01 2.26 -1.546662200e+00 -1.546662200e+00 2.28 -2.127413206e+00 -2.127413206e+00 2.30 -2.662807597e+00 -2.662807597e+00 2.32 -3.155504446e+00 -3.155504446e+00 2.34 -3.607955570e+00 -3.607955570e+00 2.36 -4.022478745e+00 -4.022478745e+00 2.38 -4.401290742e+00 -4.401290742e+00 2.40 -4.746530382e+00 -4.746530382e+00 2.42 -5.060274031e+00 -5.060274031e+00 2.44 -5.344535646e+00 -5.344535646e+00 2.46 -5.601265993e+00 -5.601265993e+00 2.48 -5.832339804e+00 -5.832339804e+00 2.50 -6.039537626e+00 -6.039537626e+00 2.52 -6.224525576e+00 -6.224525576e+00 2.54 -6.388837802e+00 -6.388837802e+00 2.56 -6.533865613e+00 -6.533865613e+00 2.58 -6.660855257e+00 -6.660855257e+00 2.60 -6.770914203e+00 -6.770914203e+00 2.62 -6.864932998e+00 -6.864932998e+00 2.64 -6.943731700e+00 -6.943731700e+00 2.66 -7.008245981e+00 -7.008245981e+00 2.68 -7.059334362e+00 -7.059334362e+00 2.70 -7.097799396e+00 -7.097799396e+00 2.72 -7.124412436e+00 -7.124412436e+00 2.74 -7.139931522e+00 -7.139931522e+00 2.76 -7.145139119e+00 -7.145139119e+00 2.78 -7.140763989e+00 -7.140763989e+00 2.80 -7.126983558e+00 -7.126983558e+00 2.82 -7.103817721e+00 -7.103817721e+00 2.84 -7.071381538e+00 -7.071381538e+00 2.86 -7.029871871e+00 -7.029871871e+00 2.88 -6.979561351e+00 -6.979561351e+00 2.90 -6.920797894e+00 -6.920797894e+00 2.92 -6.853995063e+00 -6.853995063e+00 2.94 -6.779555548e+00 -6.779555548e+00 2.96 -6.697915735e+00 -6.697915735e+00 2.98 -6.609557495e+00 -6.609557495e+00 3.00 -6.515053631e+00 -6.515053631e+00 3.02 -6.415040389e+00 -6.415040389e+00 3.04 -6.310181265e+00 -6.310181265e+00 3.06 -6.201137142e+00 -6.201137142e+00 3.08 -6.088519923e+00 -6.088519923e+00 3.10 -5.972864605e+00 -5.972864605e+00 3.12 -5.854552258e+00 -5.854552258e+00 3.14 -5.733854357e+00 -5.733854357e+00 3.16 -5.610946558e+00 -5.610946558e+00 3.18 -5.485935442e+00 -5.485935442e+00 3.20 -5.358871590e+00 -5.358871590e+00 3.22 -5.229771408e+00 -5.229771408e+00 3.24 -5.098640920e+00 -5.098640920e+00 3.26 -4.965499229e+00 -4.965499229e+00 3.28 -4.830399409e+00 -4.830399409e+00 3.30 -4.693444961e+00 -4.693444961e+00 3.32 -4.554800774e+00 -4.554800774e+00 3.34 -4.414698723e+00 -4.414698723e+00 3.36 -4.273439204e+00 -4.273439204e+00 3.38 -4.131390277e+00 -4.131390277e+00 3.40 -3.988984576e+00 -3.988984576e+00 3.42 -3.846719766e+00 -3.846719766e+00 3.44 -3.705145889e+00 -3.705145889e+00 3.46 -3.564859098e+00 -3.564859098e+00 3.48 -3.426484137e+00 -3.426484137e+00 3.50 -3.290652644e+00 -3.290652644e+00 3.52 -3.157977724e+00 -3.157977724e+00 3.54 -3.029027446e+00 -3.029027446e+00 3.56 -2.904300355e+00 -2.904300355e+00 3.58 -2.784205741e+00 -2.784205741e+00 3.60 -2.669050605e+00 -2.669050605e+00 3.62 -2.559034175e+00 -2.559034175e+00 3.64 -2.454249742e+00 -2.454249742e+00 3.66 -2.354692780e+00 -2.354692780e+00 3.68 -2.260273741e+00 -2.260273741e+00 3.70 -2.170833786e+00 -2.170833786e+00 3.72 -2.086161771e+00 -2.086161771e+00 3.74 -2.006011084e+00 -2.006011084e+00 3.76 -1.930115241e+00 -1.930115241e+00 3.78 -1.858201489e+00 -1.858201489e+00 3.80 -1.790001896e+00 -1.790001896e+00 3.82 -1.725261630e+00 -1.725261630e+00 3.84 -1.663744293e+00 -1.663744293e+00 3.86 -1.605234372e+00 -1.605234372e+00 3.88 -1.549537097e+00 -1.549537097e+00 3.90 -1.496476251e+00 -1.496476251e+00 3.92 -1.445889307e+00 -1.445889307e+00 3.94 -1.397629466e+00 -1.397629466e+00 3.96 -1.351552911e+00 -1.351552911e+00 3.98 -1.307522946e+00 -1.307522946e+00 4.00 -1.265407017e+00 -1.265407017e+00 4.02 -1.225076632e+00 -1.225076632e+00 4.04 -1.186408091e+00 -1.186408091e+00 4.06 -1.149283645e+00 -1.149283645e+00 4.08 -1.113592730e+00 -1.113592730e+00 4.10 -1.079227340e+00 -1.079227340e+00 4.12 -1.046106635e+00 -1.046106635e+00 4.14 -1.014139731e+00 -1.014139731e+00 4.16 -9.832523661e-01 -9.832523661e-01 4.18 -9.533797165e-01 -9.533797165e-01 4.20 -9.244660612e-01 -9.244660612e-01 4.22 -8.964642403e-01 -8.964642403e-01 4.24 -8.693349085e-01 -8.693349085e-01 4.26 -8.430455754e-01 -8.430455754e-01 4.28 -8.175694390e-01 -8.175694390e-01 4.30 -7.928840482e-01 -7.928840482e-01 4.32 -7.689698764e-01 -7.689698764e-01 4.34 -7.458089181e-01 -7.458089181e-01 4.36 -7.233834384e-01 -7.233834384e-01 4.38 -7.016749050e-01 -7.016749050e-01 4.40 -6.806633268e-01 -6.806633268e-01 4.42 -6.603274692e-01 -6.603274692e-01 4.44 -6.406444375e-01 -6.406444375e-01 4.46 -6.215899466e-01 -6.215899466e-01 4.48 -6.031387687e-01 -6.031387687e-01 4.50 -5.852652237e-01 -5.852652237e-01 4.52 -5.679436399e-01 -5.679436399e-01 4.54 -5.511487396e-01 -5.511487396e-01 4.56 -5.348559301e-01 -5.348559301e-01 4.58 -5.190415013e-01 -5.190415013e-01 4.60 -5.036827438e-01 -5.036827438e-01 4.62 -4.887580069e-01 -4.887580069e-01 4.64 -4.742467215e-01 -4.742467215e-01 4.66 -4.601294060e-01 -4.601294060e-01 4.68 -4.463876757e-01 -4.463876757e-01 4.70 -4.330042708e-01 -4.330042708e-01 4.72 -4.199631111e-01 -4.199631111e-01 4.74 -4.072493858e-01 -4.072493858e-01 4.76 -3.948496786e-01 -3.948496786e-01 4.78 -3.827521214e-01 -3.827521214e-01 4.80 -3.709433906e-01 -3.709433906e-01 4.82 -3.594221271e-01 -3.594221271e-01 4.84 -3.481783003e-01 -3.481783003e-01 4.86 -3.372078315e-01 -3.372078315e-01 4.88 -3.265087538e-01 -3.265087538e-01 4.90 -3.160810841e-01 -3.160810841e-01 4.92 -3.059265506e-01 -3.059265506e-01 4.94 -2.960481740e-01 -2.960481740e-01 4.96 -2.864497181e-01 -2.864497181e-01 4.98 -2.771350509e-01 -2.771350509e-01 5.00 -2.681074738e-01 -2.681074738e-01 5.02 -2.593690892e-01 -2.593690892e-01 5.04 -2.509202718e-01 -2.509202718e-01 5.06 -2.427592986e-01 -2.427592986e-01 5.08 -2.348821674e-01 -2.348821674e-01 5.10 -2.272826069e-01 -2.272826069e-01 5.12 -2.199522587e-01 -2.199522587e-01 5.14 -2.128809924e-01 -2.128809924e-01 5.16 -2.060573077e-01 -2.060573077e-01 5.18 -1.994687764e-01 -1.994687764e-01 5.20 -1.931024851e-01 -1.931024851e-01 5.22 -1.869454500e-01 -1.869454500e-01 5.24 -1.809849848e-01 -1.809849848e-01 5.26 -1.752090146e-01 -1.752090146e-01 5.28 -1.696063321e-01 -1.696063321e-01 5.30 -1.641668015e-01 -1.641668015e-01 5.32 -1.588815098e-01 -1.588815098e-01 5.34 -1.537428711e-01 -1.537428711e-01 5.36 -1.487446826e-01 -1.487446826e-01 5.38 -1.438821315e-01 -1.438821315e-01 5.40 -1.391517501e-01 -1.391517501e-01 5.42 -1.345513153e-01 -1.345513153e-01 5.44 -1.300796935e-01 -1.300796935e-01 5.46 -1.257366325e-01 -1.257366325e-01 5.48 -1.215225092e-01 -1.215225092e-01 5.50 -1.174380474e-01 -1.174380474e-01 5.52 -1.134840238e-01 -1.134840238e-01 5.54 -1.096609845e-01 -1.096609845e-01 5.56 -1.059689937e-01 -1.059689937e-01 5.58 -1.024074318e-01 -1.024074318e-01 5.60 -9.897478055e-02 -9.897478055e-02 5.62 -9.566866945e-02 -9.566866945e-02 5.64 -9.248594651e-02 -9.248594651e-02 5.66 -8.942259413e-02 -8.942259413e-02 5.68 -8.647383279e-02 -8.647383279e-02 5.70 -8.363425396e-02 -8.363425396e-02 5.72 -8.089796613e-02 -8.089796613e-02 5.74 -7.825874070e-02 -7.825874070e-02 5.76 -7.571014743e-02 -7.571014743e-02 5.78 -7.324567279e-02 -7.324567279e-02 5.80 -7.085881809e-02 -7.085881809e-02 5.82 -6.854317672e-02 -6.854317672e-02 5.84 -6.629249217e-02 -6.629249217e-02 5.86 -6.410069965e-02 -6.410069965e-02 5.88 -6.196195520e-02 -6.196195520e-02 5.90 -5.987065602e-02 -5.987065602e-02 5.92 -5.782145607e-02 -5.782145607e-02 5.94 -5.580928066e-02 -5.580928066e-02 5.96 -5.382934300e-02 -5.382934300e-02 5.98 -5.187716572e-02 -5.187716572e-02 6.00 -4.994860938e-02 -4.994860938e-02