# 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 = Co2CuPd # 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 1.634099262e+02 1.634099262e+02 1.30 1.503195702e+02 1.503195702e+02 1.32 1.382496007e+02 1.382496007e+02 1.34 1.271173769e+02 1.271173769e+02 1.36 1.168458340e+02 1.168458340e+02 1.38 1.073629362e+02 1.073629362e+02 1.40 9.860208559e+01 9.860208559e+01 1.42 9.050290270e+01 9.050290270e+01 1.44 8.301149134e+01 8.301149134e+01 1.46 7.607991112e+01 7.607991112e+01 1.48 6.966513205e+01 6.966513205e+01 1.50 6.372786088e+01 6.372786088e+01 1.52 5.823162541e+01 5.823162541e+01 1.54 5.314231309e+01 5.314231309e+01 1.56 4.842804218e+01 4.842804218e+01 1.58 4.405917501e+01 4.405917501e+01 1.60 4.000843889e+01 4.000843889e+01 1.62 3.625985351e+01 3.625985351e+01 1.64 3.280450276e+01 3.280450276e+01 1.66 2.962073938e+01 2.962073938e+01 1.68 2.668889888e+01 2.668889888e+01 1.70 2.399103243e+01 2.399103243e+01 1.72 2.151040309e+01 2.151040309e+01 1.74 1.923107479e+01 1.923107479e+01 1.76 1.713769369e+01 1.713769369e+01 1.78 1.521553356e+01 1.521553356e+01 1.80 1.345072999e+01 1.345072999e+01 1.82 1.183050195e+01 1.183050195e+01 1.84 1.034321027e+01 1.034321027e+01 1.86 8.978264408e+00 8.978264408e+00 1.88 7.725979320e+00 7.725979320e+00 1.90 6.577458150e+00 6.577458150e+00 1.92 5.524520989e+00 5.524520989e+00 1.94 4.559672265e+00 4.559672265e+00 1.96 3.676086123e+00 3.676086123e+00 1.98 2.867579751e+00 2.867579751e+00 2.00 2.128556437e+00 2.128556437e+00 2.02 1.453925862e+00 1.453925862e+00 2.04 8.390192814e-01 8.390192814e-01 2.06 2.795117790e-01 2.795117790e-01 2.08 -2.286399573e-01 -2.286399573e-01 2.10 -6.892380348e-01 -6.892380348e-01 2.12 -1.105861680e+00 -1.105861680e+00 2.14 -1.481869586e+00 -1.481869586e+00 2.16 -1.820394576e+00 -1.820394576e+00 2.18 -2.124338300e+00 -2.124338300e+00 2.20 -2.396372744e+00 -2.396372744e+00 2.22 -2.638953127e+00 -2.638953127e+00 2.24 -2.854342031e+00 -2.854342031e+00 2.26 -3.044639876e+00 -3.044639876e+00 2.28 -3.211815004e+00 -3.211815004e+00 2.30 -3.357727108e+00 -3.357727108e+00 2.32 -3.484139221e+00 -3.484139221e+00 2.34 -3.592716328e+00 -3.592716328e+00 2.36 -3.685013926e+00 -3.685013926e+00 2.38 -3.762470291e+00 -3.762470291e+00 2.40 -3.826488727e+00 -3.826488727e+00 2.42 -3.878191026e+00 -3.878191026e+00 2.44 -3.918557071e+00 -3.918557071e+00 2.46 -3.948521965e+00 -3.948521965e+00 2.48 -3.968990161e+00 -3.968990161e+00 2.50 -3.980946498e+00 -3.980946498e+00 2.52 -3.985564647e+00 -3.985564647e+00 2.54 -3.983583934e+00 -3.983583934e+00 2.56 -3.975542717e+00 -3.975542717e+00 2.58 -3.961569845e+00 -3.961569845e+00 2.60 -3.941869682e+00 -3.941869682e+00 2.62 -3.916707531e+00 -3.916707531e+00 2.64 -3.886382418e+00 -3.886382418e+00 2.66 -3.851229749e+00 -3.851229749e+00 2.68 -3.811620170e+00 -3.811620170e+00 2.70 -3.767931383e+00 -3.767931383e+00 2.72 -3.720533497e+00 -3.720533497e+00 2.74 -3.669773402e+00 -3.669773402e+00 2.76 -3.615977781e+00 -3.615977781e+00 2.78 -3.559452931e+00 -3.559452931e+00 2.80 -3.500483581e+00 -3.500483581e+00 2.82 -3.439333691e+00 -3.439333691e+00 2.84 -3.376250639e+00 -3.376250639e+00 2.86 -3.311472206e+00 -3.311472206e+00 2.88 -3.245234409e+00 -3.245234409e+00 2.90 -3.177777882e+00 -3.177777882e+00 2.92 -3.109351154e+00 -3.109351154e+00 2.94 -3.040210309e+00 -3.040210309e+00 2.96 -2.970615693e+00 -2.970615693e+00 2.98 -2.900826988e+00 -2.900826988e+00 3.00 -2.831097810e+00 -2.831097810e+00 3.02 -2.761670218e+00 -2.761670218e+00 3.04 -2.692768796e+00 -2.692768796e+00 3.06 -2.624594000e+00 -2.624594000e+00 3.08 -2.557315279e+00 -2.557315279e+00 3.10 -2.491065489e+00 -2.491065489e+00 3.12 -2.425938384e+00 -2.425938384e+00 3.14 -2.361990178e+00 -2.361990178e+00 3.16 -2.299244824e+00 -2.299244824e+00 3.18 -2.237701607e+00 -2.237701607e+00 3.20 -2.177343314e+00 -2.177343314e+00 3.22 -2.118143599e+00 -2.118143599e+00 3.24 -2.060072821e+00 -2.060072821e+00 3.26 -2.003102205e+00 -2.003102205e+00 3.28 -1.947206502e+00 -1.947206502e+00 3.30 -1.892365477e+00 -1.892365477e+00 3.32 -1.838564508e+00 -1.838564508e+00 3.34 -1.785794539e+00 -1.785794539e+00 3.36 -1.734051570e+00 -1.734051570e+00 3.38 -1.683335795e+00 -1.683335795e+00 3.40 -1.633650509e+00 -1.633650509e+00 3.42 -1.585000876e+00 -1.585000876e+00 3.44 -1.537392645e+00 -1.537392645e+00 3.46 -1.490830911e+00 -1.490830911e+00 3.48 -1.445318979e+00 -1.445318979e+00 3.50 -1.400857400e+00 -1.400857400e+00 3.52 -1.357443222e+00 -1.357443222e+00 3.54 -1.315069464e+00 -1.315069464e+00 3.56 -1.273724850e+00 -1.273724850e+00 3.58 -1.233393796e+00 -1.233393796e+00 3.60 -1.194056653e+00 -1.194056653e+00 3.62 -1.155690216e+00 -1.155690216e+00 3.64 -1.118268479e+00 -1.118268479e+00 3.66 -1.081763629e+00 -1.081763629e+00 3.68 -1.046147236e+00 -1.046147236e+00 3.70 -1.011391570e+00 -1.011391570e+00 3.72 -9.774709507e-01 -9.774709507e-01 3.74 -9.443630063e-01 -9.443630063e-01 3.76 -9.120496723e-01 -9.120496723e-01 3.78 -8.805177912e-01 -8.805177912e-01 3.80 -8.497591734e-01 -8.497591734e-01 3.82 -8.197700495e-01 -8.197700495e-01 3.84 -7.905499317e-01 -7.905499317e-01 3.86 -7.621000048e-01 -7.621000048e-01 3.88 -7.344212657e-01 -7.344212657e-01 3.90 -7.075126881e-01 -7.075126881e-01 3.92 -6.813696967e-01 -6.813696967e-01 3.94 -6.559831734e-01 -6.559831734e-01 3.96 -6.313391180e-01 -6.313391180e-01 3.98 -6.074189644e-01 -6.074189644e-01 4.00 -5.842004388e-01 -5.842004388e-01 4.02 -5.616587789e-01 -5.616587789e-01 4.04 -5.397680974e-01 -5.397680974e-01 4.06 -5.185026900e-01 -5.185026900e-01 4.08 -4.978381307e-01 -4.978381307e-01 4.10 -4.777520585e-01 -4.777520585e-01 4.12 -4.582246320e-01 -4.582246320e-01 4.14 -4.392386830e-01 -4.392386830e-01 4.16 -4.207796577e-01 -4.207796577e-01 4.18 -4.028354446e-01 -4.028354446e-01 4.20 -3.853961841e-01 -3.853961841e-01 4.22 -3.684541164e-01 -3.684541164e-01 4.24 -3.520034773e-01 -3.520034773e-01 4.26 -3.360404013e-01 -3.360404013e-01 4.28 -3.205627676e-01 -3.205627676e-01 4.30 -3.055699315e-01 -3.055699315e-01 4.32 -2.910623167e-01 -2.910623167e-01 4.34 -2.770408871e-01 -2.770408871e-01 4.36 -2.635065561e-01 -2.635065561e-01 4.38 -2.504595988e-01 -2.504595988e-01 4.40 -2.378991195e-01 -2.378991195e-01 4.42 -2.258225975e-01 -2.258225975e-01 4.44 -2.142255062e-01 -2.142255062e-01 4.46 -2.031009946e-01 -2.031009946e-01 4.48 -1.924396284e-01 -1.924396284e-01 4.50 -1.822292111e-01 -1.822292111e-01 4.52 -1.724547262e-01 -1.724547262e-01 4.54 -1.630984459e-01 -1.630984459e-01 4.56 -1.541402423e-01 -1.541402423e-01 4.58 -1.455581085e-01 -1.455581085e-01 4.60 -1.373288653e-01 -1.373288653e-01 4.62 -1.294289976e-01 -1.294289976e-01 4.64 -1.218355465e-01 -1.218355465e-01 4.66 -1.145269736e-01 -1.145269736e-01 4.68 -1.074839200e-01 -1.074839200e-01 4.70 -1.006898008e-01 -1.006898008e-01 4.72 -9.413119406e-02 -9.413119406e-02 4.74 -8.779801366e-02 -8.779801366e-02 4.76 -8.168347700e-02 -8.168347700e-02 4.78 -7.578390173e-02 -7.578390173e-02 4.80 -7.009837789e-02 -7.009837789e-02 4.82 -6.462836839e-02 -6.462836839e-02 4.84 -5.937727893e-02 -5.937727893e-02 4.86 -5.435003044e-02 -5.435003044e-02 4.88 -4.955264024e-02 -4.955264024e-02 4.90 -4.499180398e-02 -4.499180398e-02 4.92 -4.067445898e-02 -4.067445898e-02 4.94 -3.660726792e-02 -3.660726792e-02 4.96 -3.279589428e-02 -3.279589428e-02 4.98 -2.924510336e-02 -2.924510336e-02 5.00 -2.595779550e-02 -2.595779550e-02 5.02 -2.293442419e-02 -2.293442419e-02 5.04 -2.017265701e-02 -2.017265701e-02 5.06 -1.766720447e-02 -1.766720447e-02 5.08 -1.540969886e-02 -1.540969886e-02 5.10 -1.338910660e-02 -1.338910660e-02 5.12 -1.159236553e-02 -1.159236553e-02 5.14 -1.000453913e-02 -1.000453913e-02 5.16 -8.609405910e-03 -8.609405910e-03 5.18 -7.390056112e-03 -7.390056112e-03 5.20 -6.329442058e-03 -6.329442058e-03 5.22 -5.410848845e-03 -5.410848845e-03 5.24 -4.618267826e-03 -4.618267826e-03 5.26 -3.936668902e-03 -3.936668902e-03 5.28 -3.352177816e-03 -3.352177816e-03 5.30 -2.852170959e-03 -2.852170959e-03 5.32 -2.425303217e-03 -2.425303217e-03 5.34 -2.061484847e-03 -2.061484847e-03 5.36 -1.751822181e-03 -1.751822181e-03 5.38 -1.488534834e-03 -1.488534834e-03 5.40 -1.264859649e-03 -1.264859649e-03 5.42 -1.074949204e-03 -1.074949204e-03 5.44 -9.137705194e-04 -9.137705194e-04 5.46 -7.770078371e-04 -7.770078371e-04 5.48 -6.609718781e-04 -6.609718781e-04 5.50 -5.625169241e-04 -5.625169241e-04 5.52 -4.789662730e-04 -4.789662730e-04 5.54 -4.080460822e-04 -4.080460822e-04 5.56 -3.478272540e-04 -3.478272540e-04 5.58 -2.966748058e-04 -2.966748058e-04 5.60 -2.532040568e-04 -2.532040568e-04 5.62 -2.162429193e-04 -2.162429193e-04 5.64 -1.847995858e-04 -1.847995858e-04 5.66 -1.580349409e-04 -1.580349409e-04 5.68 -1.352390740e-04 -1.352390740e-04 5.70 -1.158113312e-04 -1.158113312e-04 5.72 -9.924340350e-05 -9.924340350e-05 5.74 -8.510501106e-05 -8.510501106e-05 5.76 -7.303179780e-05 -7.303179780e-05 5.78 -6.271510461e-05 -6.271510461e-05 5.80 -5.389333428e-05 -5.389333428e-05 5.82 -4.634466365e-05 -4.634466365e-05 5.84 -3.988089410e-05 -3.988089410e-05 5.86 -3.434226310e-05 -3.434226310e-05 5.88 -2.959306642e-05 -2.959306642e-05 5.90 -2.551796384e-05 -2.551796384e-05 5.92 -2.201886090e-05 -2.201886090e-05 5.94 -1.901227610e-05 -1.901227610e-05 5.96 -1.642711706e-05 -1.642711706e-05 5.98 -1.420280146e-05 -1.420280146e-05 6.00 -1.228766843e-05 -1.228766843e-05