# 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 = AlCu2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 9.896474367e+01 1.16 9.091786833e+01 1.18 8.353154756e+01 1.20 7.674506456e+01 1.22 7.050287171e+01 1.24 6.475402713e+01 1.26 5.945441906e+01 1.28 5.456727137e+01 1.30 5.006050462e+01 1.32 4.590430389e+01 1.34 4.207067070e+01 1.36 3.853385761e+01 1.38 3.527062234e+01 1.40 3.226009454e+01 1.42 2.948304066e+01 1.44 2.692214797e+01 1.46 2.456160636e+01 1.48 2.238313307e+01 1.50 2.036962684e+01 1.52 1.850644189e+01 1.54 1.678146289e+01 1.56 1.518430781e+01 1.58 1.370555804e+01 1.60 1.233654314e+01 1.62 1.106946183e+01 1.64 9.897344142e+00 1.66 8.813717094e+00 1.68 7.812266998e+00 1.70 6.886766336e+00 1.72 6.031215267e+00 1.74 5.240004974e+00 1.76 4.508017369e+00 1.78 3.830674579e+00 1.80 3.203948738e+00 1.82 2.624327469e+00 1.84 2.088734622e+00 1.86 1.594417979e+00 1.88 1.138827126e+00 1.90 7.195068308e-01 1.92 3.340227393e-01 1.94 -2.007154797e-02 1.96 -3.452214900e-01 1.98 -6.438114091e-01 2.00 -9.180656916e-01 2.02 -1.169940702e+00 2.04 -1.401056458e+00 2.06 -1.612707763e+00 2.08 -1.805951741e+00 2.10 -1.981728448e+00 2.12 -2.140965615e+00 2.14 -2.284641569e+00 2.16 -2.413805260e+00 2.18 -2.529564490e+00 2.20 -2.633054406e+00 2.22 -2.725396143e+00 2.24 -2.807654402e+00 2.26 -2.880803069e+00 2.28 -2.945706386e+00 2.30 -3.003135852e+00 2.32 -3.054249985e+00 2.34 -3.099391704e+00 2.36 -3.138790308e+00 2.38 -3.173330122e+00 2.40 -3.202575021e+00 2.42 -3.226046098e+00 2.44 -3.243370013e+00 2.46 -3.254270561e+00 2.48 -3.258572611e+00 2.50 -3.256250937e+00 2.52 -3.247400644e+00 2.54 -3.232238272e+00 2.56 -3.211107278e+00 2.58 -3.184479227e+00 2.60 -3.152949545e+00 2.62 -3.117212579e+00 2.64 -3.078018165e+00 2.66 -3.036119589e+00 2.68 -2.992226263e+00 2.70 -2.946970025e+00 2.72 -2.900886132e+00 2.74 -2.854403847e+00 2.76 -2.807841330e+00 2.78 -2.761403483e+00 2.80 -2.715185275e+00 2.82 -2.669183365e+00 2.84 -2.623316509e+00 2.86 -2.577451850e+00 2.88 -2.531432840e+00 2.90 -2.485104994e+00 2.92 -2.438337375e+00 2.94 -2.391039319e+00 2.96 -2.343172801e+00 2.98 -2.294760821e+00 3.00 -2.245891520e+00 3.02 -2.196716961e+00 3.04 -2.147445222e+00 3.06 -2.098325080e+00 3.08 -2.049624208e+00 3.10 -2.001603829e+00 3.12 -1.954494245e+00 3.14 -1.908475783e+00 3.16 -1.863668060e+00 3.18 -1.820128486e+00 3.20 -1.777858351e+00 3.22 -1.736813843e+00 3.24 -1.696919071e+00 3.26 -1.658078787e+00 3.28 -1.620189384e+00 3.30 -1.583147580e+00 3.32 -1.546856715e+00 3.34 -1.511230896e+00 3.36 -1.476197311e+00 3.38 -1.441697060e+00 3.40 -1.407684807e+00 3.42 -1.374127572e+00 3.44 -1.341002881e+00 3.46 -1.308296615e+00 3.48 -1.276000729e+00 3.50 -1.244111059e+00 3.52 -1.212625391e+00 3.54 -1.181541876e+00 3.56 -1.150857893e+00 3.58 -1.120569380e+00 3.60 -1.090670662e+00 3.62 -1.061154773e+00 3.64 -1.032014243e+00 3.66 -1.003242341e+00 3.68 -9.748346801e-01 3.70 -9.467910835e-01 3.72 -9.191175500e-01 3.74 -8.918280699e-01 3.76 -8.649460016e-01 3.78 -8.385046867e-01 3.80 -8.125470057e-01 3.82 -7.871236894e-01 3.84 -7.622903821e-01 3.86 -7.381036877e-01 3.88 -7.146166578e-01 3.90 -6.918743346e-01 3.92 -6.699099806e-01 3.94 -6.487425075e-01 3.96 -6.283753765e-01 3.98 -6.087969693e-01 4.00 -5.899821873e-01 4.02 -5.718948833e-01 4.04 -5.544906931e-01 4.06 -5.377198802e-01 4.08 -5.215299161e-01 4.10 -5.058676253e-01 4.12 -4.906809213e-01 4.14 -4.759199778e-01 4.16 -4.615381720e-01 4.18 -4.474927019e-01 4.20 -4.337450584e-01 4.22 -4.202614202e-01 4.24 -4.070130289e-01 4.26 -3.939765740e-01 4.28 -3.811345828e-01 4.30 -3.684757833e-01 4.32 -3.559953758e-01 4.34 -3.436951322e-01 4.36 -3.315832301e-01 4.38 -3.196737391e-01 4.40 -3.079857000e-01 4.42 -2.965417899e-01 4.44 -2.853666197e-01 4.46 -2.744847803e-01 4.48 -2.639188014e-01 4.50 -2.536872219e-01 4.52 -2.438029600e-01 4.54 -2.342721422e-01 4.56 -2.250934787e-01 4.58 -2.162582158e-01 4.60 -2.077506067e-01 4.62 -1.995487960e-01 4.64 -1.916260005e-01 4.66 -1.839518705e-01 4.68 -1.764939212e-01 4.70 -1.692189247e-01 4.72 -1.620939020e-01 4.74 -1.550880301e-01 4.76 -1.481736131e-01 4.78 -1.413266653e-01 4.80 -1.345278434e-01 4.82 -1.277632643e-01 4.84 -1.210250802e-01 4.86 -1.143119466e-01 4.88 -1.076292189e-01 4.90 -1.009888869e-01 4.92 -9.440920055e-02 4.94 -8.791396126e-02 4.96 -8.153148466e-02 4.98 -7.529326912e-02 5.00 -6.923244344e-02 5.02 -6.338209714e-02 5.04 -5.777361828e-02 5.06 -5.243516808e-02 5.08 -4.739040882e-02 5.10 -4.265757270e-02 5.12 -3.824891987e-02 5.14 -3.417059084e-02 5.16 -3.042281965e-02 5.18 -2.700044184e-02 5.20 -2.389361788e-02 5.22 -2.108868657e-02 5.24 -1.856906468e-02 5.26 -1.631609763e-02 5.28 -1.430954883e-02 5.30 -1.252919622e-02 5.32 -1.095494820e-02 5.34 -9.567128908e-03 5.36 -8.346866559e-03 5.38 -7.276363691e-03 5.40 -6.339067711e-03 5.42 -5.519760857e-03 5.44 -4.804587524e-03 5.46 -4.181034967e-03 5.48 -3.637880910e-03 5.50 -3.165119166e-03 5.52 -2.753871999e-03 5.54 -2.396295917e-03 5.56 -2.085485816e-03 5.58 -1.815380975e-03 5.60 -1.580675272e-03 5.62 -1.376733099e-03 5.64 -1.199511801e-03 5.66 -1.045491006e-03 5.68 -9.116088309e-04 5.70 -7.952047581e-04 5.72 -6.939688104e-04 5.74 -6.058965672e-04 5.76 -5.292495267e-04 5.78 -4.625203060e-04 5.80 -4.044021818e-04 5.82 -3.537624965e-04 5.84 -3.096194888e-04 5.86 -2.711221411e-04 5.88 -2.375326778e-04 5.90 -2.082113811e-04 5.92 -1.826034310e-04 5.94 -1.602275079e-04 5.96 -1.406659260e-04 5.98 -1.235560972e-04 6.00 -1.085831470e-04