# 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 = Co2TiW # 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 2.323190454e+02 2.323190454e+02 1.30 2.136746838e+02 2.136746838e+02 1.32 1.965104546e+02 1.965104546e+02 1.34 1.807018762e+02 1.807018762e+02 1.36 1.661338630e+02 1.661338630e+02 1.38 1.527006791e+02 1.527006791e+02 1.40 1.403059969e+02 1.403059969e+02 1.42 1.288627718e+02 1.288627718e+02 1.44 1.182927003e+02 1.182927003e+02 1.46 1.085254223e+02 1.085254223e+02 1.48 9.949774740e+01 9.949774740e+01 1.50 9.115288056e+01 9.115288056e+01 1.52 8.343948026e+01 8.343948026e+01 1.54 7.631074065e+01 7.631074065e+01 1.56 6.972381555e+01 6.972381555e+01 1.58 6.363945705e+01 6.363945705e+01 1.60 5.802155555e+01 5.802155555e+01 1.62 5.283655370e+01 5.283655370e+01 1.64 4.805290334e+01 4.805290334e+01 1.66 4.364069967e+01 4.364069967e+01 1.68 3.957156775e+01 3.957156775e+01 1.70 3.581877093e+01 3.581877093e+01 1.72 3.235736233e+01 3.235736233e+01 1.74 2.916421088e+01 2.916421088e+01 1.76 2.621812489e+01 2.621812489e+01 1.78 2.349983638e+01 2.349983638e+01 1.80 2.099129769e+01 2.099129769e+01 1.82 1.867608495e+01 1.867608495e+01 1.84 1.654039946e+01 1.654039946e+01 1.86 1.457182724e+01 1.457182724e+01 1.88 1.275838444e+01 1.275838444e+01 1.90 1.108924702e+01 1.108924702e+01 1.92 9.554461916e+00 9.554461916e+00 1.94 8.144706877e+00 8.144706877e+00 1.96 6.851154711e+00 6.851154711e+00 1.98 5.665438227e+00 5.665438227e+00 2.00 4.579661178e+00 4.579661178e+00 2.02 3.586396249e+00 3.586396249e+00 2.04 2.678643317e+00 2.678643317e+00 2.06 1.849762239e+00 1.849762239e+00 2.08 1.093417731e+00 1.093417731e+00 2.10 4.035651568e-01 4.035651568e-01 2.12 -2.255212382e-01 -2.255212382e-01 2.14 -7.991940005e-01 -7.991940005e-01 2.16 -1.322371678e+00 -1.322371678e+00 2.18 -1.799490703e+00 -1.799490703e+00 2.20 -2.234487103e+00 -2.234487103e+00 2.22 -2.630818103e+00 -2.630818103e+00 2.24 -2.991517991e+00 -2.991517991e+00 2.26 -3.319269909e+00 -3.319269909e+00 2.28 -3.616473723e+00 -3.616473723e+00 2.30 -3.885298410e+00 -3.885298410e+00 2.32 -4.127712159e+00 -4.127712159e+00 2.34 -4.345429035e+00 -4.345429035e+00 2.36 -4.540186275e+00 -4.540186275e+00 2.38 -4.713624873e+00 -4.713624873e+00 2.40 -4.867252020e+00 -4.867252020e+00 2.42 -5.002466872e+00 -5.002466872e+00 2.44 -5.120581676e+00 -5.120581676e+00 2.46 -5.222837207e+00 -5.222837207e+00 2.48 -5.310351360e+00 -5.310351360e+00 2.50 -5.383939062e+00 -5.383939062e+00 2.52 -5.444360357e+00 -5.444360357e+00 2.54 -5.492393626e+00 -5.492393626e+00 2.56 -5.528824768e+00 -5.528824768e+00 2.58 -5.554438980e+00 -5.554438980e+00 2.60 -5.570009368e+00 -5.570009368e+00 2.62 -5.576329340e+00 -5.576329340e+00 2.64 -5.574084956e+00 -5.574084956e+00 2.66 -5.563824505e+00 -5.563824505e+00 2.68 -5.546043865e+00 -5.546043865e+00 2.70 -5.521196932e+00 -5.521196932e+00 2.72 -5.489771331e+00 -5.489771331e+00 2.74 -5.452103574e+00 -5.452103574e+00 2.76 -5.408434903e+00 -5.408434903e+00 2.78 -5.358871523e+00 -5.358871523e+00 2.80 -5.303539576e+00 -5.303539576e+00 2.82 -5.242608106e+00 -5.242608106e+00 2.84 -5.176283853e+00 -5.176283853e+00 2.86 -5.104809183e+00 -5.104809183e+00 2.88 -5.028440707e+00 -5.028440707e+00 2.90 -4.947376847e+00 -4.947376847e+00 2.92 -4.861850776e+00 -4.861850776e+00 2.94 -4.772166302e+00 -4.772166302e+00 2.96 -4.678696166e+00 -4.678696166e+00 2.98 -4.581878628e+00 -4.581878628e+00 3.00 -4.482210262e+00 -4.482210262e+00 3.02 -4.380232728e+00 -4.380232728e+00 3.04 -4.276512025e+00 -4.276512025e+00 3.06 -4.171611253e+00 -4.171611253e+00 3.08 -4.066059410e+00 -4.066059410e+00 3.10 -3.960323031e+00 -3.960323031e+00 3.12 -3.854785083e+00 -3.854785083e+00 3.14 -3.749735147e+00 -3.749735147e+00 3.16 -3.645370595e+00 -3.645370595e+00 3.18 -3.541807242e+00 -3.541807242e+00 3.20 -3.439095420e+00 -3.439095420e+00 3.22 -3.337238404e+00 -3.337238404e+00 3.24 -3.236210676e+00 -3.236210676e+00 3.26 -3.135974632e+00 -3.135974632e+00 3.28 -3.036495069e+00 -3.036495069e+00 3.30 -2.937751325e+00 -2.937751325e+00 3.32 -2.839747067e+00 -2.839747067e+00 3.34 -2.742517799e+00 -2.742517799e+00 3.36 -2.646136023e+00 -2.646136023e+00 3.38 -2.550713948e+00 -2.550713948e+00 3.40 -2.456403570e+00 -2.456403570e+00 3.42 -2.363394082e+00 -2.363394082e+00 3.44 -2.271906385e+00 -2.271906385e+00 3.46 -2.182185241e+00 -2.182185241e+00 3.48 -2.094489190e+00 -2.094489190e+00 3.50 -2.009078970e+00 -2.009078970e+00 3.52 -1.926205161e+00 -1.926205161e+00 3.54 -1.846095923e+00 -1.846095923e+00 3.56 -1.768945733e+00 -1.768945733e+00 3.58 -1.694906076e+00 -1.694906076e+00 3.60 -1.624078935e+00 -1.624078935e+00 3.62 -1.556513753e+00 -1.556513753e+00 3.64 -1.492208097e+00 -1.492208097e+00 3.66 -1.431111801e+00 -1.431111801e+00 3.68 -1.373133849e+00 -1.373133849e+00 3.70 -1.318150962e+00 -1.318150962e+00 3.72 -1.266016759e+00 -1.266016759e+00 3.74 -1.216570541e+00 -1.216570541e+00 3.76 -1.169644988e+00 -1.169644988e+00 3.78 -1.125072412e+00 -1.125072412e+00 3.80 -1.082689457e+00 -1.082689457e+00 3.82 -1.042340355e+00 -1.042340355e+00 3.84 -1.003878921e+00 -1.003878921e+00 3.86 -9.671695670e-01 -9.671695670e-01 3.88 -9.320875570e-01 -9.320875570e-01 3.90 -8.985187588e-01 -8.985187588e-01 3.92 -8.663590251e-01 -8.663590251e-01 3.94 -8.355135498e-01 -8.355135498e-01 3.96 -8.058958189e-01 -8.058958189e-01 3.98 -7.774269027e-01 -7.774269027e-01 4.00 -7.500346223e-01 -7.500346223e-01 4.02 -7.236528420e-01 -7.236528420e-01 4.04 -6.982208741e-01 -6.982208741e-01 4.06 -6.736830126e-01 -6.736830126e-01 4.08 -6.499882052e-01 -6.499882052e-01 4.10 -6.270898065e-01 -6.270898065e-01 4.12 -6.049457763e-01 -6.049457763e-01 4.14 -5.835183531e-01 -5.835183531e-01 4.16 -5.627744817e-01 -5.627744817e-01 4.18 -5.426859210e-01 -5.426859210e-01 4.20 -5.232293800e-01 -5.232293800e-01 4.22 -5.043865193e-01 -5.043865193e-01 4.24 -4.861437250e-01 -4.861437250e-01 4.26 -4.684915775e-01 -4.684915775e-01 4.28 -4.514239822e-01 -4.514239822e-01 4.30 -4.349369880e-01 -4.349369880e-01 4.32 -4.190273927e-01 -4.190273927e-01 4.34 -4.036912936e-01 -4.036912936e-01 4.36 -3.889227681e-01 -3.889227681e-01 4.38 -3.747128567e-01 -3.747128567e-01 4.40 -3.610489609e-01 -3.610489609e-01 4.42 -3.479146921e-01 -3.479146921e-01 4.44 -3.352901242e-01 -3.352901242e-01 4.46 -3.231523467e-01 -3.231523467e-01 4.48 -3.114761877e-01 -3.114761877e-01 4.50 -3.002349828e-01 -3.002349828e-01 4.52 -2.894012906e-01 -2.894012906e-01 4.54 -2.789474957e-01 -2.789474957e-01 4.56 -2.688462731e-01 -2.688462731e-01 4.58 -2.590709186e-01 -2.590709186e-01 4.60 -2.495955659e-01 -2.495955659e-01 4.62 -2.403953239e-01 -2.403953239e-01 4.64 -2.314463693e-01 -2.314463693e-01 4.66 -2.227260283e-01 -2.227260283e-01 4.68 -2.142128782e-01 -2.142128782e-01 4.70 -2.058868942e-01 -2.058868942e-01 4.72 -1.977296600e-01 -1.977296600e-01 4.74 -1.897246539e-01 -1.897246539e-01 4.76 -1.818576137e-01 -1.818576137e-01 4.78 -1.741169707e-01 -1.741169707e-01 4.80 -1.664942903e-01 -1.664942903e-01 4.82 -1.589849393e-01 -1.589849393e-01 4.84 -1.515882661e-01 -1.515882661e-01 4.86 -1.443081370e-01 -1.443081370e-01 4.88 -1.371530515e-01 -1.371530515e-01 4.90 -1.301360568e-01 -1.301360568e-01 4.92 -1.232743543e-01 -1.232743543e-01 4.94 -1.165885707e-01 -1.165885707e-01 4.96 -1.101017071e-01 -1.101017071e-01 4.98 -1.038378269e-01 -1.038378269e-01 5.00 -9.782058596e-02 -9.782058596e-02 5.02 -9.207174353e-02 -9.207174353e-02 5.04 -8.660979665e-02 -8.660979665e-02 5.06 -8.144887170e-02 -8.144887170e-02 5.08 -7.659783513e-02 -7.659783513e-02 5.10 -7.206012035e-02 -7.206012035e-02 5.12 -6.783398398e-02 -6.783398398e-02 5.14 -6.391258230e-02 -6.391258230e-02 5.16 -6.028464986e-02 -6.028464986e-02 5.18 -5.693528680e-02 -5.693528680e-02 5.20 -5.384683343e-02 -5.384683343e-02 5.22 -5.100022897e-02 -5.100022897e-02 5.24 -4.837545175e-02 -4.837545175e-02 5.26 -4.595221946e-02 -4.595221946e-02 5.28 -4.371058609e-02 -4.371058609e-02 5.30 -4.163138848e-02 -4.163138848e-02 5.32 -3.969655423e-02 -3.969655423e-02 5.34 -3.788929059e-02 -3.788929059e-02 5.36 -3.619417705e-02 -3.619417705e-02 5.38 -3.459718507e-02 -3.459718507e-02 5.40 -3.308564607e-02 -3.308564607e-02 5.42 -3.164818626e-02 -3.164818626e-02 5.44 -3.027464355e-02 -3.027464355e-02 5.46 -2.895597833e-02 -2.895597833e-02 5.48 -2.768418721e-02 -2.768418721e-02 5.50 -2.645222597e-02 -2.645222597e-02 5.52 -2.525394601e-02 -2.525394601e-02 5.54 -2.408404659e-02 -2.408404659e-02 5.56 -2.293804313e-02 -2.293804313e-02 5.58 -2.181225122e-02 -2.181225122e-02 5.60 -2.070378355e-02 -2.070378355e-02 5.62 -1.961055599e-02 -1.961055599e-02 5.64 -1.853129745e-02 -1.853129745e-02 5.66 -1.746555721e-02 -1.746555721e-02 5.68 -1.641370228e-02 -1.641370228e-02 5.70 -1.537689719e-02 -1.537689719e-02 5.72 -1.435705917e-02 -1.435705917e-02 5.74 -1.335678300e-02 -1.335678300e-02 5.76 -1.237923075e-02 -1.237923075e-02 5.78 -1.142788899e-02 -1.142788899e-02 5.80 -1.050658711e-02 -1.050658711e-02 5.82 -9.619294819e-03 -9.619294819e-03 5.84 -8.769846951e-03 -8.769846951e-03 5.86 -7.961751331e-03 -7.961751331e-03 5.88 -7.198017502e-03 -7.198017502e-03 5.90 -6.481018997e-03 -6.481018997e-03 5.92 -5.812398333e-03 -5.812398333e-03 5.94 -5.193019312e-03 -5.193019312e-03 5.96 -4.622966324e-03 -4.622966324e-03 5.98 -4.101585919e-03 -4.101585919e-03 6.00 -3.627562556e-03 -3.627562556e-03