# 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 = Ta2TiW # 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 3.892149961e+02 3.892149961e+02 1.30 3.605254484e+02 3.605254484e+02 1.32 3.339871072e+02 3.339871072e+02 1.34 3.094240849e+02 3.094240849e+02 1.36 2.866761289e+02 2.866761289e+02 1.38 2.655968349e+02 2.655968349e+02 1.40 2.460528208e+02 2.460528208e+02 1.42 2.279231550e+02 2.279231550e+02 1.44 2.110982497e+02 2.110982497e+02 1.46 1.954780463e+02 1.954780463e+02 1.48 1.809699866e+02 1.809699866e+02 1.50 1.674875808e+02 1.674875808e+02 1.52 1.549500938e+02 1.549500938e+02 1.54 1.432832326e+02 1.432832326e+02 1.56 1.324201472e+02 1.324201472e+02 1.58 1.223018688e+02 1.223018688e+02 1.60 1.128767347e+02 1.128767347e+02 1.62 1.040990288e+02 1.040990288e+02 1.64 9.592739563e+01 9.592739563e+01 1.66 8.832348376e+01 8.832348376e+01 1.68 8.125104022e+01 8.125104022e+01 1.70 7.467548741e+01 7.467548741e+01 1.72 6.856383957e+01 6.856383957e+01 1.74 6.288473462e+01 6.288473462e+01 1.76 5.760843239e+01 5.760843239e+01 1.78 5.270678698e+01 5.270678698e+01 1.80 4.815327089e+01 4.815327089e+01 1.82 4.392307516e+01 4.392307516e+01 1.84 3.999322143e+01 3.999322143e+01 1.86 3.634259230e+01 3.634259230e+01 1.88 3.295182241e+01 3.295182241e+01 1.90 2.980305656e+01 2.980305656e+01 1.92 2.687963217e+01 2.687963217e+01 1.94 2.416576701e+01 2.416576701e+01 1.96 2.164635595e+01 2.164635595e+01 1.98 1.931251945e+01 1.931251945e+01 2.00 1.715410981e+01 1.715410981e+01 2.02 1.515712404e+01 1.515712404e+01 2.04 1.330841504e+01 1.330841504e+01 2.06 1.159597417e+01 1.159597417e+01 2.08 1.000900173e+01 1.000900173e+01 2.10 8.537869247e+00 8.537869247e+00 2.12 7.174012007e+00 7.174012007e+00 2.14 5.909791650e+00 5.909791650e+00 2.16 4.738362827e+00 4.738362827e+00 2.18 3.653558261e+00 3.653558261e+00 2.20 2.649788163e+00 2.649788163e+00 2.22 1.721943386e+00 1.721943386e+00 2.24 8.652987195e-01 8.652987195e-01 2.26 7.542171993e-02 7.542171993e-02 2.28 -6.519041907e-01 -6.519041907e-01 2.30 -1.320735755e+00 -1.320735755e+00 2.32 -1.935003912e+00 -1.935003912e+00 2.34 -2.498523764e+00 -2.498523764e+00 2.36 -3.014981362e+00 -3.014981362e+00 2.38 -3.487901336e+00 -3.487901336e+00 2.40 -3.920605587e+00 -3.920605587e+00 2.42 -4.316175544e+00 -4.316175544e+00 2.44 -4.677427949e+00 -4.677427949e+00 2.46 -5.006909179e+00 -5.006909179e+00 2.48 -5.306906939e+00 -5.306906939e+00 2.50 -5.579474205e+00 -5.579474205e+00 2.52 -5.826458725e+00 -5.826458725e+00 2.54 -6.049532417e+00 -6.049532417e+00 2.56 -6.250217445e+00 -6.250217445e+00 2.58 -6.429908141e+00 -6.429908141e+00 2.60 -6.589889320e+00 -6.589889320e+00 2.62 -6.731351714e+00 -6.731351714e+00 2.64 -6.855405068e+00 -6.855405068e+00 2.66 -6.963088573e+00 -6.963088573e+00 2.68 -7.055351118e+00 -7.055351118e+00 2.70 -7.133071473e+00 -7.133071473e+00 2.72 -7.197030344e+00 -7.197030344e+00 2.74 -7.248099264e+00 -7.248099264e+00 2.76 -7.287248155e+00 -7.287248155e+00 2.78 -7.315367338e+00 -7.315367338e+00 2.80 -7.333272879e+00 -7.333272879e+00 2.82 -7.341712387e+00 -7.341712387e+00 2.84 -7.341372117e+00 -7.341372117e+00 2.86 -7.332876095e+00 -7.332876095e+00 2.88 -7.316661287e+00 -7.316661287e+00 2.90 -7.292797433e+00 -7.292797433e+00 2.92 -7.261223437e+00 -7.261223437e+00 2.94 -7.221990758e+00 -7.221990758e+00 2.96 -7.175099901e+00 -7.175099901e+00 2.98 -7.120606250e+00 -7.120606250e+00 3.00 -7.058624561e+00 -7.058624561e+00 3.02 -6.989314818e+00 -6.989314818e+00 3.04 -6.912867089e+00 -6.912867089e+00 3.06 -6.829477895e+00 -6.829477895e+00 3.08 -6.739231949e+00 -6.739231949e+00 3.10 -6.642154837e+00 -6.642154837e+00 3.12 -6.538306887e+00 -6.538306887e+00 3.14 -6.427777238e+00 -6.427777238e+00 3.16 -6.310681788e+00 -6.310681788e+00 3.18 -6.187168020e+00 -6.187168020e+00 3.20 -6.057424418e+00 -6.057424418e+00 3.22 -5.921692617e+00 -5.921692617e+00 3.24 -5.780280018e+00 -5.780280018e+00 3.26 -5.633570667e+00 -5.633570667e+00 3.28 -5.482032446e+00 -5.482032446e+00 3.30 -5.326219009e+00 -5.326219009e+00 3.32 -5.166765470e+00 -5.166765470e+00 3.34 -5.004377644e+00 -5.004377644e+00 3.36 -4.839815443e+00 -4.839815443e+00 3.38 -4.673871745e+00 -4.673871745e+00 3.40 -4.507348506e+00 -4.507348506e+00 3.42 -4.341032104e+00 -4.341032104e+00 3.44 -4.175669510e+00 -4.175669510e+00 3.46 -4.011946971e+00 -4.011946971e+00 3.48 -3.850472097e+00 -3.850472097e+00 3.50 -3.691760160e+00 -3.691760160e+00 3.52 -3.536225058e+00 -3.536225058e+00 3.54 -3.384175243e+00 -3.384175243e+00 3.56 -3.235814732e+00 -3.235814732e+00 3.58 -3.091249239e+00 -3.091249239e+00 3.60 -2.950497251e+00 -2.950497251e+00 3.62 -2.813505653e+00 -2.813505653e+00 3.64 -2.680169163e+00 -2.680169163e+00 3.66 -2.550352392e+00 -2.550352392e+00 3.68 -2.423912998e+00 -2.423912998e+00 3.70 -2.300724079e+00 -2.300724079e+00 3.72 -2.180693961e+00 -2.180693961e+00 3.74 -2.063781641e+00 -2.063781641e+00 3.76 -1.950006576e+00 -1.950006576e+00 3.78 -1.839451972e+00 -1.839451972e+00 3.80 -1.732261386e+00 -1.732261386e+00 3.82 -1.628629064e+00 -1.628629064e+00 3.84 -1.528785090e+00 -1.528785090e+00 3.86 -1.432976930e+00 -1.432976930e+00 3.88 -1.341449321e+00 -1.341449321e+00 3.90 -1.254424563e+00 -1.254424563e+00 3.92 -1.172085096e+00 -1.172085096e+00 3.94 -1.094560046e+00 -1.094560046e+00 3.96 -1.021916220e+00 -1.021916220e+00 3.98 -9.541545085e-01 -9.541545085e-01 4.00 -8.912109041e-01 -8.912109041e-01 4.02 -8.329615866e-01 -8.329615866e-01 4.04 -7.792310092e-01 -7.792310092e-01 4.06 -7.298018345e-01 -7.298018345e-01 4.08 -6.844256400e-01 -6.844256400e-01 4.10 -6.428333904e-01 -6.428333904e-01 4.12 -6.047455248e-01 -6.047455248e-01 4.14 -5.698798350e-01 -5.698798350e-01 4.16 -5.379588119e-01 -5.379588119e-01 4.18 -5.087149305e-01 -5.087149305e-01 4.20 -4.818945686e-01 -4.818945686e-01 4.22 -4.572606133e-01 -4.572606133e-01 4.24 -4.345939572e-01 -4.345939572e-01 4.26 -4.136940992e-01 -4.136940992e-01 4.28 -3.943790562e-01 -3.943790562e-01 4.30 -3.764847679e-01 -3.764847679e-01 4.32 -3.598641543e-01 -3.598641543e-01 4.34 -3.443859516e-01 -3.443859516e-01 4.36 -3.299334295e-01 -3.299334295e-01 4.38 -3.164030621e-01 -3.164030621e-01 4.40 -3.037032139e-01 -3.037032139e-01 4.42 -2.917528735e-01 -2.917528735e-01 4.44 -2.804804156e-01 -2.804804156e-01 4.46 -2.698223627e-01 -2.698223627e-01 4.48 -2.597229663e-01 -2.597229663e-01 4.50 -2.501328527e-01 -2.501328527e-01 4.52 -2.410081726e-01 -2.410081726e-01 4.54 -2.323099135e-01 -2.323099135e-01 4.56 -2.240032825e-01 -2.240032825e-01 4.58 -2.160571562e-01 -2.160571562e-01 4.60 -2.084435973e-01 -2.084435973e-01 4.62 -2.011374318e-01 -2.011374318e-01 4.64 -1.941158843e-01 -1.941158843e-01 4.66 -1.873582661e-01 -1.873582661e-01 4.68 -1.808457128e-01 -1.808457128e-01 4.70 -1.745609693e-01 -1.745609693e-01 4.72 -1.684882191e-01 -1.684882191e-01 4.74 -1.626129561e-01 -1.626129561e-01 4.76 -1.569218990e-01 -1.569218990e-01 4.78 -1.514029449e-01 -1.514029449e-01 4.80 -1.460451194e-01 -1.460451194e-01 4.82 -1.408387783e-01 -1.408387783e-01 4.84 -1.357753881e-01 -1.357753881e-01 4.86 -1.308477931e-01 -1.308477931e-01 4.88 -1.260502475e-01 -1.260502475e-01 4.90 -1.213784895e-01 -1.213784895e-01 4.92 -1.168297860e-01 -1.168297860e-01 4.94 -1.124029286e-01 -1.124029286e-01 4.96 -1.080981583e-01 -1.080981583e-01 4.98 -1.039170053e-01 -1.039170053e-01 5.00 -9.986203683e-02 -9.986203683e-02 5.02 -9.593651757e-02 -9.593651757e-02 5.04 -9.214400464e-02 -9.214400464e-02 5.06 -8.848790763e-02 -8.848790763e-02 5.08 -8.497101974e-02 -8.497101974e-02 5.10 -8.159507327e-02 -8.159507327e-02 5.12 -7.836075657e-02 -7.836075657e-02 5.14 -7.526731823e-02 -7.526731823e-02 5.16 -7.231247929e-02 -7.231247929e-02 5.18 -6.949249205e-02 -6.949249205e-02 5.20 -6.680229371e-02 -6.680229371e-02 5.22 -6.423572545e-02 -6.423572545e-02 5.24 -6.178578575e-02 -6.178578575e-02 5.26 -5.944488959e-02 -5.944488959e-02 5.28 -5.720511122e-02 -5.720511122e-02 5.30 -5.505839569e-02 -5.505839569e-02 5.32 -5.299673202e-02 -5.299673202e-02 5.34 -5.101228506e-02 -5.101228506e-02 5.36 -4.909749070e-02 -4.909749070e-02 5.38 -4.724512040e-02 -4.724512040e-02 5.40 -4.544832093e-02 -4.544832093e-02 5.42 -4.370063769e-02 -4.370063769e-02 5.44 -4.199602841e-02 -4.199602841e-02 5.46 -4.032887391e-02 -4.032887391e-02 5.48 -3.869399107e-02 -3.869399107e-02 5.50 -3.708665243e-02 -3.708665243e-02 5.52 -3.550261526e-02 -3.550261526e-02 5.54 -3.393816179e-02 -3.393816179e-02 5.56 -3.239015287e-02 -3.239015287e-02 5.58 -3.085609027e-02 -3.085609027e-02 5.60 -2.933418711e-02 -2.933418711e-02 5.62 -2.782344162e-02 -2.782344162e-02 5.64 -2.632370751e-02 -2.632370751e-02 5.66 -2.483575246e-02 -2.483575246e-02 5.68 -2.336129536e-02 -2.336129536e-02 5.70 -2.190301210e-02 -2.190301210e-02 5.72 -2.046450077e-02 -2.046450077e-02 5.74 -1.905019881e-02 -1.905019881e-02 5.76 -1.766524575e-02 -1.766524575e-02 5.78 -1.631515618e-02 -1.631515618e-02 5.80 -1.500585341e-02 -1.500585341e-02 5.82 -1.374339264e-02 -1.374339264e-02 5.84 -1.253357959e-02 -1.253357959e-02 5.86 -1.138170373e-02 -1.138170373e-02 5.88 -1.029229988e-02 -1.029229988e-02 5.90 -9.268956878e-03 -9.268956878e-03 5.92 -8.314186393e-03 -8.314186393e-03 5.94 -7.429358890e-03 -7.429358890e-03 5.96 -6.614706276e-03 -6.614706276e-03 5.98 -5.869384640e-03 -5.869384640e-03 6.00 -5.191585546e-03 -5.191585546e-03