# 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 = CoMgPd2 # 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 2.888089380e+02 2.888089380e+02 1.30 2.670574605e+02 2.670574605e+02 1.32 2.469410144e+02 2.469410144e+02 1.34 2.283285718e+02 2.283285718e+02 1.36 2.111006035e+02 2.111006035e+02 1.38 1.951470071e+02 1.951470071e+02 1.40 1.803659523e+02 1.803659523e+02 1.42 1.666635730e+02 1.666635730e+02 1.44 1.539543344e+02 1.539543344e+02 1.46 1.421613818e+02 1.421613818e+02 1.48 1.312158651e+02 1.312158651e+02 1.50 1.210552101e+02 1.210552101e+02 1.52 1.116213935e+02 1.116213935e+02 1.54 1.028600023e+02 1.028600023e+02 1.56 9.471995964e+01 9.471995964e+01 1.58 8.715349007e+01 8.715349007e+01 1.60 8.011620486e+01 8.011620486e+01 1.62 7.356735264e+01 7.356735264e+01 1.64 6.748834758e+01 6.748834758e+01 1.66 6.186733540e+01 6.186733540e+01 1.68 5.667054543e+01 5.667054543e+01 1.70 5.186711349e+01 5.186711349e+01 1.72 4.742831948e+01 4.742831948e+01 1.74 4.332716252e+01 4.332716252e+01 1.76 3.953829586e+01 3.953829586e+01 1.78 3.603816092e+01 3.603816092e+01 1.80 3.280511409e+01 3.280511409e+01 1.82 2.981939860e+01 2.981939860e+01 1.84 2.706293350e+01 2.706293350e+01 1.86 2.451899213e+01 2.451899213e+01 1.88 2.217188862e+01 2.217188862e+01 1.90 2.000679391e+01 2.000679391e+01 1.92 1.800973541e+01 1.800973541e+01 1.94 1.616772697e+01 1.616772697e+01 1.96 1.446890418e+01 1.446890418e+01 1.98 1.290254590e+01 1.290254590e+01 2.00 1.145895941e+01 1.145895941e+01 2.02 1.012929353e+01 1.012929353e+01 2.04 8.905364453e+00 8.905364453e+00 2.06 7.779536839e+00 7.779536839e+00 2.08 6.744658477e+00 6.744658477e+00 2.10 5.794030988e+00 5.794030988e+00 2.12 4.921398061e+00 4.921398061e+00 2.14 4.120940733e+00 4.120940733e+00 2.16 3.387272368e+00 3.387272368e+00 2.18 2.715428419e+00 2.715428419e+00 2.20 2.100850388e+00 2.100850388e+00 2.22 1.539361447e+00 1.539361447e+00 2.24 1.027137416e+00 1.027137416e+00 2.26 5.606749864e-01 5.606749864e-01 2.28 1.367578740e-01 1.367578740e-01 2.30 -2.475771214e-01 -2.475771214e-01 2.32 -5.950784885e-01 -5.950784885e-01 2.34 -9.083170009e-01 -9.083170009e-01 2.36 -1.189722406e+00 -1.189722406e+00 2.38 -1.441613753e+00 -1.441613753e+00 2.40 -1.666221969e+00 -1.666221969e+00 2.42 -1.865704447e+00 -1.865704447e+00 2.44 -2.042159353e+00 -2.042159353e+00 2.46 -2.197654059e+00 -2.197654059e+00 2.48 -2.334090259e+00 -2.334090259e+00 2.50 -2.453266993e+00 -2.453266993e+00 2.52 -2.556870827e+00 -2.556870827e+00 2.54 -2.646932470e+00 -2.646932470e+00 2.56 -2.725104784e+00 -2.725104784e+00 2.58 -2.792183180e+00 -2.792183180e+00 2.60 -2.848879571e+00 -2.848879571e+00 2.62 -2.895783634e+00 -2.895783634e+00 2.64 -2.933427176e+00 -2.933427176e+00 2.66 -2.962311012e+00 -2.962311012e+00 2.68 -2.982910378e+00 -2.982910378e+00 2.70 -2.995733532e+00 -2.995733532e+00 2.72 -3.001327159e+00 -3.001327159e+00 2.74 -3.000203167e+00 -3.000203167e+00 2.76 -2.992843754e+00 -2.992843754e+00 2.78 -2.979709718e+00 -2.979709718e+00 2.80 -2.961248248e+00 -2.961248248e+00 2.82 -2.937899137e+00 -2.937899137e+00 2.84 -2.910102314e+00 -2.910102314e+00 2.86 -2.878303905e+00 -2.878303905e+00 2.88 -2.842960254e+00 -2.842960254e+00 2.90 -2.804537896e+00 -2.804537896e+00 2.92 -2.763508194e+00 -2.763508194e+00 2.94 -2.720336647e+00 -2.720336647e+00 2.96 -2.675468691e+00 -2.675468691e+00 2.98 -2.629315146e+00 -2.629315146e+00 3.00 -2.582240622e+00 -2.582240622e+00 3.02 -2.534556990e+00 -2.534556990e+00 3.04 -2.486521999e+00 -2.486521999e+00 3.06 -2.438342873e+00 -2.438342873e+00 3.08 -2.390180369e+00 -2.390180369e+00 3.10 -2.342155982e+00 -2.342155982e+00 3.12 -2.294358314e+00 -2.294358314e+00 3.14 -2.246850959e+00 -2.246850959e+00 3.16 -2.199681118e+00 -2.199681118e+00 3.18 -2.152896490e+00 -2.152896490e+00 3.20 -2.106508158e+00 -2.106508158e+00 3.22 -2.060522588e+00 -2.060522588e+00 3.24 -2.014949691e+00 -2.014949691e+00 3.26 -1.969804206e+00 -1.969804206e+00 3.28 -1.925106179e+00 -1.925106179e+00 3.30 -1.880880659e+00 -1.880880659e+00 3.32 -1.837156695e+00 -1.837156695e+00 3.34 -1.793959458e+00 -1.793959458e+00 3.36 -1.751293999e+00 -1.751293999e+00 3.38 -1.709165870e+00 -1.709165870e+00 3.40 -1.667585003e+00 -1.667585003e+00 3.42 -1.626564094e+00 -1.626564094e+00 3.44 -1.586117088e+00 -1.586117088e+00 3.46 -1.546258404e+00 -1.546258404e+00 3.48 -1.507002152e+00 -1.507002152e+00 3.50 -1.468361494e+00 -1.468361494e+00 3.52 -1.430348094e+00 -1.430348094e+00 3.54 -1.392971614e+00 -1.392971614e+00 3.56 -1.356239285e+00 -1.356239285e+00 3.58 -1.320155572e+00 -1.320155572e+00 3.60 -1.284721946e+00 -1.284721946e+00 3.62 -1.249936771e+00 -1.249936771e+00 3.64 -1.215795341e+00 -1.215795341e+00 3.66 -1.182290031e+00 -1.182290031e+00 3.68 -1.149410602e+00 -1.149410602e+00 3.70 -1.117144608e+00 -1.117144608e+00 3.72 -1.085477911e+00 -1.085477911e+00 3.74 -1.054395251e+00 -1.054395251e+00 3.76 -1.023880850e+00 -1.023880850e+00 3.78 -9.939189842e-01 -9.939189842e-01 3.80 -9.644944964e-01 -9.644944964e-01 3.82 -9.355932047e-01 -9.355932047e-01 3.84 -9.072021837e-01 -9.072021837e-01 3.86 -8.793099168e-01 -8.793099168e-01 3.88 -8.519063467e-01 -8.519063467e-01 3.90 -8.249828722e-01 -8.249828722e-01 3.92 -7.985322759e-01 -7.985322759e-01 3.94 -7.725492081e-01 -7.725492081e-01 3.96 -7.470298406e-01 -7.470298406e-01 3.98 -7.219727004e-01 -7.219727004e-01 4.00 -6.973790872e-01 -6.973790872e-01 4.02 -6.732536383e-01 -6.732536383e-01 4.04 -6.496048010e-01 -6.496048010e-01 4.06 -6.264450723e-01 -6.264450723e-01 4.08 -6.037908790e-01 -6.037908790e-01 4.10 -5.816617541e-01 -5.816617541e-01 4.12 -5.600804200e-01 -5.600804200e-01 4.14 -5.390696444e-01 -5.390696444e-01 4.16 -5.186518288e-01 -5.186518288e-01 4.18 -4.988469969e-01 -4.988469969e-01 4.20 -4.796712776e-01 -4.796712776e-01 4.22 -4.611357219e-01 -4.611357219e-01 4.24 -4.432455486e-01 -4.432455486e-01 4.26 -4.259998206e-01 -4.259998206e-01 4.28 -4.093914832e-01 -4.093914832e-01 4.30 -3.934076522e-01 -3.934076522e-01 4.32 -3.780300464e-01 -3.780300464e-01 4.34 -3.632354891e-01 -3.632354891e-01 4.36 -3.489964510e-01 -3.489964510e-01 4.38 -3.352816438e-01 -3.352816438e-01 4.40 -3.220566862e-01 -3.220566862e-01 4.42 -3.092848590e-01 -3.092848590e-01 4.44 -2.969279457e-01 -2.969279457e-01 4.46 -2.849471353e-01 -2.849471353e-01 4.48 -2.733039532e-01 -2.733039532e-01 4.50 -2.619611858e-01 -2.619611858e-01 4.52 -2.508837734e-01 -2.508837734e-01 4.54 -2.400396565e-01 -2.400396565e-01 4.56 -2.294005690e-01 -2.294005690e-01 4.58 -2.189427742e-01 -2.189427742e-01 4.60 -2.086477337e-01 -2.086477337e-01 4.62 -1.985026890e-01 -1.985026890e-01 4.64 -1.885011197e-01 -1.885011197e-01 4.66 -1.786430331e-01 -1.786430331e-01 4.68 -1.689350255e-01 -1.689350255e-01 4.70 -1.593900640e-01 -1.593900640e-01 4.72 -1.500269442e-01 -1.500269442e-01 4.74 -1.408694096e-01 -1.408694096e-01 4.76 -1.319449544e-01 -1.319449544e-01 4.78 -1.232833698e-01 -1.232833698e-01 4.80 -1.149149388e-01 -1.149149388e-01 4.82 -1.068696309e-01 -1.068696309e-01 4.84 -9.917427936e-02 -9.917427936e-02 4.86 -9.185220057e-02 -9.185220057e-02 4.88 -8.492198220e-02 -8.492198220e-02 4.90 -7.839687515e-02 -7.839687515e-02 4.92 -7.228454263e-02 -7.228454263e-02 4.94 -6.658712893e-02 -6.658712893e-02 4.96 -6.130155154e-02 -6.130155154e-02 4.98 -5.641998043e-02 -5.641998043e-02 5.00 -5.193042836e-02 -5.193042836e-02 5.02 -4.781738234e-02 -4.781738234e-02 5.04 -4.406184707e-02 -4.406184707e-02 5.06 -4.064295990e-02 -4.064295990e-02 5.08 -3.753921840e-02 -3.753921840e-02 5.10 -3.472777794e-02 -3.472777794e-02 5.12 -3.218515533e-02 -3.218515533e-02 5.14 -2.988780930e-02 -2.988780930e-02 5.16 -2.781265640e-02 -2.781265640e-02 5.18 -2.593760973e-02 -2.593760973e-02 5.20 -2.424177741e-02 -2.424177741e-02 5.22 -2.270568460e-02 -2.270568460e-02 5.24 -2.131141648e-02 -2.131141648e-02 5.26 -2.004268748e-02 -2.004268748e-02 5.28 -1.888485015e-02 -1.888485015e-02 5.30 -1.782485711e-02 -1.782485711e-02 5.32 -1.685118866e-02 -1.685118866e-02 5.34 -1.595375641e-02 -1.595375641e-02 5.36 -1.512379188e-02 -1.512379188e-02 5.38 -1.435371758e-02 -1.435371758e-02 5.40 -1.363702143e-02 -1.363702143e-02 5.42 -1.296816876e-02 -1.296816876e-02 5.44 -1.234245396e-02 -1.234245396e-02 5.46 -1.175588120e-02 -1.175588120e-02 5.48 -1.120505234e-02 -1.120505234e-02 5.50 -1.068706231e-02 -1.068706231e-02 5.52 -1.019940381e-02 -1.019940381e-02 5.54 -9.739882952e-03 -9.739882952e-03 5.56 -9.306547229e-03 -9.306547229e-03 5.58 -8.897626450e-03 -8.897626450e-03 5.60 -8.511486796e-03 -8.511486796e-03 5.62 -8.146597170e-03 -8.146597170e-03 5.64 -7.801506456e-03 -7.801506456e-03 5.66 -7.474829756e-03 -7.474829756e-03 5.68 -7.165241493e-03 -7.165241493e-03 5.70 -6.871473228e-03 -6.871473228e-03 5.72 -6.592314307e-03 -6.592314307e-03 5.74 -6.326613792e-03 -6.326613792e-03 5.76 -6.073282553e-03 -6.073282553e-03 5.78 -5.831294781e-03 -5.831294781e-03 5.80 -5.599688572e-03 -5.599688572e-03 5.82 -5.377565459e-03 -5.377565459e-03 5.84 -5.164089009e-03 -5.164089009e-03 5.86 -4.958482680e-03 -4.958482680e-03 5.88 -4.760027220e-03 -4.760027220e-03 5.90 -4.568057886e-03 -4.568057886e-03 5.92 -4.381961771e-03 -4.381961771e-03 5.94 -4.201175453e-03 -4.201175453e-03 5.96 -4.025183196e-03 -4.025183196e-03 5.98 -3.853515827e-03 -3.853515827e-03 6.00 -3.685750410e-03 -3.685750410e-03