# 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 = Mo2TiW # 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 3.459201743e+02 3.459201743e+02 1.30 3.198438465e+02 3.198438465e+02 1.32 2.957771299e+02 2.957771299e+02 1.34 2.735433335e+02 2.735433335e+02 1.36 2.529768927e+02 2.529768927e+02 1.38 2.339255278e+02 2.339255278e+02 1.40 2.162529287e+02 2.162529287e+02 1.42 1.998402542e+02 1.998402542e+02 1.44 1.845856156e+02 1.845856156e+02 1.46 1.704017415e+02 1.704017415e+02 1.48 1.572127737e+02 1.572127737e+02 1.50 1.449513876e+02 1.449513876e+02 1.52 1.335569111e+02 1.335569111e+02 1.54 1.229743226e+02 1.229743226e+02 1.56 1.131535918e+02 1.131535918e+02 1.58 1.040488494e+02 1.040488494e+02 1.60 9.561722728e+01 9.561722728e+01 1.62 8.781760431e+01 8.781760431e+01 1.64 8.060959722e+01 8.060959722e+01 1.66 7.395298187e+01 7.395298187e+01 1.68 6.780758806e+01 6.780758806e+01 1.70 6.213362784e+01 6.213362784e+01 1.72 5.689231035e+01 5.689231035e+01 1.74 5.204650897e+01 5.204650897e+01 1.76 4.756128889e+01 4.756128889e+01 1.78 4.340427525e+01 4.340427525e+01 1.80 3.954596881e+01 3.954596881e+01 1.82 3.596007330e+01 3.596007330e+01 1.84 3.262375283e+01 3.262375283e+01 1.86 2.951769582e+01 2.951769582e+01 1.88 2.662630639e+01 2.662630639e+01 1.90 2.393663697e+01 2.393663697e+01 1.92 2.144090965e+01 2.144090965e+01 1.94 1.912903114e+01 1.912903114e+01 1.96 1.699042577e+01 1.699042577e+01 1.98 1.501484643e+01 1.501484643e+01 2.00 1.319220558e+01 1.319220558e+01 2.02 1.151249231e+01 1.151249231e+01 2.04 9.965735633e+00 9.965735633e+00 2.06 8.542012530e+00 8.542012530e+00 2.08 7.231514234e+00 7.231514234e+00 2.10 6.024674637e+00 6.024674637e+00 2.12 4.912343994e+00 4.912343994e+00 2.14 3.885976273e+00 3.885976273e+00 2.16 2.937792969e+00 2.937792969e+00 2.18 2.060888743e+00 2.060888743e+00 2.20 1.249256947e+00 1.249256947e+00 2.22 4.977336900e-01 4.977336900e-01 2.24 -1.981176821e-01 -1.981176821e-01 2.26 -8.421472115e-01 -8.421472115e-01 2.28 -1.437752203e+00 -1.437752203e+00 2.30 -1.987985300e+00 -1.987985300e+00 2.32 -2.495634044e+00 -2.495634044e+00 2.34 -2.963274987e+00 -2.963274987e+00 2.36 -3.393310584e+00 -3.393310584e+00 2.38 -3.787994759e+00 -3.787994759e+00 2.40 -4.149452057e+00 -4.149452057e+00 2.42 -4.479691788e+00 -4.479691788e+00 2.44 -4.780616489e+00 -4.780616489e+00 2.46 -5.054024659e+00 -5.054024659e+00 2.48 -5.301608627e+00 -5.301608627e+00 2.50 -5.524949598e+00 -5.524949598e+00 2.52 -5.725512031e+00 -5.725512031e+00 2.54 -5.904587828e+00 -5.904587828e+00 2.56 -6.063389435e+00 -6.063389435e+00 2.58 -6.203085824e+00 -6.203085824e+00 2.60 -6.324729613e+00 -6.324729613e+00 2.62 -6.429274288e+00 -6.429274288e+00 2.64 -6.517595000e+00 -6.517595000e+00 2.66 -6.590509867e+00 -6.590509867e+00 2.68 -6.648799955e+00 -6.648799955e+00 2.70 -6.693224660e+00 -6.693224660e+00 2.72 -6.724421235e+00 -6.724421235e+00 2.74 -6.742658190e+00 -6.742658190e+00 2.76 -6.748661139e+00 -6.748661139e+00 2.78 -6.743272213e+00 -6.743272213e+00 2.80 -6.727341099e+00 -6.727341099e+00 2.82 -6.701755892e+00 -6.701755892e+00 2.84 -6.667278550e+00 -6.667278550e+00 2.86 -6.624647667e+00 -6.624647667e+00 2.88 -6.574508264e+00 -6.574508264e+00 2.90 -6.516984878e+00 -6.516984878e+00 2.92 -6.452095167e+00 -6.452095167e+00 2.94 -6.379941804e+00 -6.379941804e+00 2.96 -6.300553608e+00 -6.300553608e+00 2.98 -6.213978262e+00 -6.213978262e+00 3.00 -6.120385255e+00 -6.120385255e+00 3.02 -6.020047823e+00 -6.020047823e+00 3.04 -5.913315885e+00 -5.913315885e+00 3.06 -5.800583118e+00 -5.800583118e+00 3.08 -5.682251155e+00 -5.682251155e+00 3.10 -5.558697151e+00 -5.558697151e+00 3.12 -5.430248948e+00 -5.430248948e+00 3.14 -5.297171711e+00 -5.297171711e+00 3.16 -5.159665925e+00 -5.159665925e+00 3.18 -5.017876253e+00 -5.017876253e+00 3.20 -4.871907869e+00 -4.871907869e+00 3.22 -4.721847902e+00 -4.721847902e+00 3.24 -4.567789785e+00 -4.567789785e+00 3.26 -4.409858923e+00 -4.409858923e+00 3.28 -4.248238479e+00 -4.248238479e+00 3.30 -4.083194068e+00 -4.083194068e+00 3.32 -3.915095932e+00 -3.915095932e+00 3.34 -3.744436802e+00 -3.744436802e+00 3.36 -3.571843381e+00 -3.571843381e+00 3.38 -3.398079344e+00 -3.398079344e+00 3.40 -3.224038095e+00 -3.224038095e+00 3.42 -3.050724426e+00 -3.050724426e+00 3.44 -2.879225056e+00 -2.879225056e+00 3.46 -2.710669970e+00 -2.710669970e+00 3.48 -2.546187222e+00 -2.546187222e+00 3.50 -2.386855196e+00 -2.386855196e+00 3.52 -2.233656601e+00 -2.233656601e+00 3.54 -2.087438287e+00 -2.087438287e+00 3.56 -1.948880216e+00 -1.948880216e+00 3.58 -1.818475807e+00 -1.818475807e+00 3.60 -1.696524570e+00 -1.696524570e+00 3.62 -1.583136712e+00 -1.583136712e+00 3.64 -1.478248189e+00 -1.478248189e+00 3.66 -1.381643819e+00 -1.381643819e+00 3.68 -1.292985491e+00 -1.292985491e+00 3.70 -1.211842434e+00 -1.211842434e+00 3.72 -1.137720830e+00 -1.137720830e+00 3.74 -1.070090707e+00 -1.070090707e+00 3.76 -1.008408823e+00 -1.008408823e+00 3.78 -9.521369754e-01 -9.521369754e-01 3.80 -9.007557509e-01 -9.007557509e-01 3.82 -8.537741332e-01 -8.537741332e-01 3.84 -8.107355715e-01 -8.107355715e-01 3.86 -7.712212062e-01 -7.712212062e-01 3.88 -7.348509128e-01 -7.348509128e-01 3.90 -7.012827576e-01 -7.012827576e-01 3.92 -6.702113284e-01 -6.702113284e-01 3.94 -6.413655325e-01 -6.413655325e-01 3.96 -6.145056581e-01 -6.145056581e-01 3.98 -5.894206263e-01 -5.894206263e-01 4.00 -5.659250414e-01 -5.659250414e-01 4.02 -5.438563817e-01 -5.438563817e-01 4.04 -5.230723563e-01 -5.230723563e-01 4.06 -5.034483821e-01 -5.034483821e-01 4.08 -4.848753207e-01 -4.848753207e-01 4.10 -4.672579588e-01 -4.672579588e-01 4.12 -4.505130719e-01 -4.505130719e-01 4.14 -4.345673141e-01 -4.345673141e-01 4.16 -4.193562762e-01 -4.193562762e-01 4.18 -4.048232051e-01 -4.048232051e-01 4.20 -3.909179739e-01 -3.909179739e-01 4.22 -3.775961836e-01 -3.775961836e-01 4.24 -3.648183843e-01 -3.648183843e-01 4.26 -3.525494010e-01 -3.525494010e-01 4.28 -3.407577521e-01 -3.407577521e-01 4.30 -3.294151476e-01 -3.294151476e-01 4.32 -3.184960574e-01 -3.184960574e-01 4.34 -3.079773386e-01 -3.079773386e-01 4.36 -2.978379156e-01 -2.978379156e-01 4.38 -2.880585038e-01 -2.880585038e-01 4.40 -2.786213706e-01 -2.786213706e-01 4.42 -2.695101303e-01 -2.695101303e-01 4.44 -2.607095651e-01 -2.607095651e-01 4.46 -2.522054710e-01 -2.522054710e-01 4.48 -2.439845228e-01 -2.439845228e-01 4.50 -2.360341578e-01 -2.360341578e-01 4.52 -2.283424733e-01 -2.283424733e-01 4.54 -2.208981382e-01 -2.208981382e-01 4.56 -2.136903158e-01 -2.136903158e-01 4.58 -2.067085974e-01 -2.067085974e-01 4.60 -1.999429461e-01 -1.999429461e-01 4.62 -1.933836508e-01 -1.933836508e-01 4.64 -1.870212895e-01 -1.870212895e-01 4.66 -1.808467049e-01 -1.808467049e-01 4.68 -1.748509908e-01 -1.748509908e-01 4.70 -1.690254929e-01 -1.690254929e-01 4.72 -1.633618250e-01 -1.633618250e-01 4.74 -1.578519028e-01 -1.578519028e-01 4.76 -1.524879966e-01 -1.524879966e-01 4.78 -1.472628061e-01 -1.472628061e-01 4.80 -1.421695134e-01 -1.421695134e-01 4.82 -1.372020742e-01 -1.372020742e-01 4.84 -1.323550749e-01 -1.323550749e-01 4.86 -1.276240661e-01 -1.276240661e-01 4.88 -1.230056516e-01 -1.230056516e-01 4.90 -1.184976110e-01 -1.184976110e-01 4.92 -1.140989871e-01 -1.140989871e-01 4.94 -1.098101181e-01 -1.098101181e-01 4.96 -1.056325932e-01 -1.056325932e-01 4.98 -1.015691202e-01 -1.015691202e-01 5.00 -9.762329515e-02 -9.762329515e-02 5.02 -9.379928436e-02 -9.379928436e-02 5.04 -9.010143552e-02 -9.010143552e-02 5.06 -8.653385309e-02 -8.653385309e-02 5.08 -8.309992884e-02 -8.309992884e-02 5.10 -7.980195026e-02 -7.980195026e-02 5.12 -7.664109130e-02 -7.664109130e-02 5.14 -7.361702110e-02 -7.361702110e-02 5.16 -7.072783579e-02 -7.072783579e-02 5.18 -6.797012342e-02 -6.797012342e-02 5.20 -6.533912269e-02 -6.533912269e-02 5.22 -6.282894657e-02 -6.282894657e-02 5.24 -6.043283960e-02 -6.043283960e-02 5.26 -5.814344046e-02 -5.814344046e-02 5.28 -5.595302777e-02 -5.595302777e-02 5.30 -5.385373418e-02 -5.385373418e-02 5.32 -5.183772095e-02 -5.183772095e-02 5.34 -4.989731311e-02 -4.989731311e-02 5.36 -4.802509657e-02 -4.802509657e-02 5.38 -4.621398299e-02 -4.621398299e-02 5.40 -4.445725063e-02 -4.445725063e-02 5.42 -4.274856836e-02 -4.274856836e-02 5.44 -4.108200989e-02 -4.108200989e-02 5.46 -3.945206461e-02 -3.945206461e-02 5.48 -3.785365052e-02 -3.785365052e-02 5.50 -3.628213326e-02 -3.628213326e-02 5.52 -3.473335463e-02 -3.473335463e-02 5.54 -3.320367266e-02 -3.320367266e-02 5.56 -3.169001068e-02 -3.169001068e-02 5.58 -3.018991958e-02 -3.018991958e-02 5.60 -2.870164728e-02 -2.870164728e-02 5.62 -2.722421084e-02 -2.722421084e-02 5.64 -2.575746516e-02 -2.575746516e-02 5.66 -2.430216018e-02 -2.430216018e-02 5.68 -2.285997728e-02 -2.285997728e-02 5.70 -2.143353509e-02 -2.143353509e-02 5.72 -2.002635542e-02 -2.002635542e-02 5.74 -1.864278227e-02 -1.864278227e-02 5.76 -1.728784735e-02 -1.728784735e-02 5.78 -1.596693407e-02 -1.596693407e-02 5.80 -1.468584187e-02 -1.468584187e-02 5.82 -1.345051159e-02 -1.345051159e-02 5.84 -1.226663934e-02 -1.226663934e-02 5.86 -1.113941494e-02 -1.113941494e-02 5.88 -1.007328844e-02 -1.007328844e-02 5.90 -9.071782568e-03 -9.071782568e-03 5.92 -8.137364290e-03 -8.137364290e-03 5.94 -7.271382114e-03 -7.271382114e-03 5.96 -6.474068762e-03 -6.474068762e-03 5.98 -5.744602718e-03 -5.744602718e-03 6.00 -5.081217339e-03 -5.081217339e-03